REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 8.842 23.431 -11.476 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 -0.098 4.630 5.855 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 0.266 -7.800 -3.485 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 15.580 -11.349 -2.096 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 3.971 25.992 2.977 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 -4.533 1.761 -0.255 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 -0.691 -10.462 -13.746 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 -9.130 2.263 4.053 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 6.080 -7.152 -3.623 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 -22.383 14.105 -9.751 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 -2.114 7.736 2.483 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 5.300 -0.262 4.230 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 6.982 -8.459 32.470 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 2.063 4.712 2.820 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 8.758 14.167 17.333 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 -0.852 0.108 -3.168 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 1.891 5.583 -4.297 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 9.693 -26.371 6.700 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 2.527 9.038 5.156 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 -3.559 -2.145 -2.973 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 -4.324 4.158 10.929 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 -4.150 0.284 1.141 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 -2.875 1.178 1.447 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 2.865 -12.083 -16.916 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 0.052 -2.276 5.287 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 16.758 9.673 0.962 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 -1.479 -2.315 4.284 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 -16.848 5.418 10.266 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 6.261 4.725 0.488 1.00 0.00 SBOX O ATOM 30 P ADE A 9 4.874 -0.796 -7.358 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 5.089 -4.608 -4.104 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 -0.116 2.288 1.676 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 -4.622 -3.417 -5.115 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 -10.440 -3.148 -0.584 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 -12.621 1.028 -34.325 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 -7.390 -7.827 9.903 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 2.942 -1.957 3.285 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 6.450 -18.031 7.765 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 1.769 -0.073 2.864 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 2.277 -3.496 12.526 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 14.397 40.680 17.804 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 0.932 -8.011 -2.914 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 5.005 -7.847 -1.695 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 0.985 -12.360 16.855 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 4.823 0.187 4.673 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 0.313 -2.077 10.756 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 3.440 -0.507 -0.428 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 1.195 5.826 -5.730 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 15.693 7.009 -6.495 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 -7.306 -7.377 1.111 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 0.908 -9.511 -4.147 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 -5.154 -3.971 8.053 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 -17.088 -24.095 22.201 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 -6.467 -0.897 -4.309 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 -3.074 2.193 3.839 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 -2.784 4.686 -8.277 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 -14.526 23.515 -13.345 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 5.422 -5.833 0.805 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 1.019 -22.502 -1.447 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 -1.928 -2.111 1.558 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 21.093 -12.156 -2.207 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 4.973 -3.775 1.472 1.00 0.00 SBOX O ATOM 63 P ADE A 10 1.507 -0.269 3.855 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 -0.024 -0.110 1.007 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 0.157 -0.614 -2.517 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 -5.253 -0.472 -2.314 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 -9.872 -0.706 1.007 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 -23.962 4.108 -15.327 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 3.642 -15.523 -5.490 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 -3.390 -4.464 -0.582 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 -8.397 18.645 -5.760 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 4.672 -8.252 0.441 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 4.143 3.624 3.167 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 -8.477 21.150 -13.411 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 -0.794 8.058 -3.539 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 6.816 -0.030 -2.434 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 0.389 -7.229 11.097 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 3.508 -3.068 -1.323 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 -3.477 3.298 -6.238 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 3.163 8.925 -1.386 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 2.915 -0.418 9.853 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 -20.200 7.660 3.710 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 3.446 3.892 -16.512 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 0.742 10.198 -0.570 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 -4.699 7.464 4.376 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 -23.327 -8.991 14.510 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 -0.558 6.940 4.695 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 4.116 1.393 3.377 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 -6.928 -5.547 -0.217 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 -5.514 -1.870 18.797 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 -1.450 4.412 -2.818 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 22.124 -4.810 -28.738 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 1.634 1.136 -2.833 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 -19.314 -0.277 4.895 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 -3.137 5.286 0.900 1.00 0.00 SBOX O ATOM 96 P GUA A 11 0.164 -0.517 -0.363 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 4.099 4.866 -1.848 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 7.540 -2.487 -6.146 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 2.268 4.911 -3.206 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 13.066 0.989 -1.971 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 -4.636 25.184 -2.412 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 14.202 4.686 -1.650 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 -8.977 0.825 -6.335 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 0.886 11.648 -7.697 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 -0.865 0.546 0.349 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 -2.560 -1.123 2.419 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 -17.031 6.328 0.256 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 -6.075 -0.141 2.652 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 0.618 -0.180 0.380 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 -8.656 20.757 2.254 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 -1.655 -3.160 -2.357 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 -2.207 5.138 -1.780 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 2.492 2.306 -3.303 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 1.743 -3.533 3.465 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 0.915 -1.251 1.498 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 0.854 20.768 2.642 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 3.219 -5.580 -1.015 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 7.944 -1.788 2.242 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 2.322 -18.622 3.567 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 1.824 -6.419 18.111 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 -0.959 -4.249 -0.819 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 -6.733 5.741 -9.373 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 -3.519 0.293 -4.486 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 23.998 6.679 11.977 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 0.359 0.903 -1.811 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 16.577 -12.108 24.570 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 0.502 3.257 -2.376 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 -4.487 -3.091 13.783 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 -4.702 2.749 0.339 1.00 0.00 SBOX O ATOM 130 P ADE A 12 1.839 3.406 -1.351 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 -0.276 -1.405 -2.868 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 7.774 -0.815 1.520 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 -5.618 -5.769 -0.848 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 -0.171 -3.269 1.566 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 -14.226 11.620 -6.106 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 -20.578 -22.172 1.112 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 -6.665 -2.051 3.491 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 10.637 6.615 -6.643 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 3.492 4.418 3.570 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 2.594 -1.960 0.368 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 -18.947 32.132 -5.654 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 -0.750 6.276 -3.670 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 -5.723 2.528 4.703 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 9.755 -9.312 -3.399 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 0.967 -4.970 -0.273 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 3.683 -5.566 -1.238 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 1.287 7.552 2.526 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 -1.903 2.655 1.069 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 21.088 -17.528 -31.751 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 -14.999 14.895 -5.632 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 3.621 -7.551 6.195 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 2.470 11.792 2.781 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 -23.486 8.366 14.217 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 5.168 0.740 -0.136 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 1.706 -5.783 -9.211 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 0.660 -4.409 -2.461 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 -8.128 -9.328 6.231 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 4.476 -1.624 -0.732 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 -6.033 -9.462 -8.598 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 -8.438 2.579 -3.161 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 -10.783 -17.238 10.117 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 -0.752 -3.123 4.424 1.00 0.00 SBOX O ATOM 163 P GUA A 13 2.189 3.637 0.745 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 -4.354 0.671 -5.276 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 3.888 5.116 -6.535 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 2.377 -1.522 -1.273 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 -3.184 3.748 2.254 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 -16.239 15.075 0.352 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 10.574 2.409 -18.372 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 -2.753 0.459 -6.294 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 6.098 8.349 -15.232 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 0.982 -4.970 2.462 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 -3.662 5.470 -1.686 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 -2.012 5.448 -2.761 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 -2.754 0.660 2.324 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 4.948 -8.428 3.275 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 -12.387 6.049 -3.228 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 1.588 0.542 1.181 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 -7.501 -1.027 -1.044 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 0.013 -0.811 9.620 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 -0.171 2.523 2.551 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 3.319 -3.015 -0.678 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 -2.350 14.102 -7.715 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 -2.485 0.735 0.529 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 4.185 3.365 -7.967 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 -12.553 -1.811 23.049 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 -22.302 -18.889 4.395 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 -1.837 5.618 -0.638 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 -1.476 -1.212 -2.406 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 -4.268 -2.297 -2.453 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 22.594 18.366 8.318 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 -7.079 -1.513 -9.784 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 -3.244 26.027 -2.500 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 -7.280 1.516 1.286 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 3.142 4.083 4.982 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 -0.874 0.629 -7.508 1.00 0.00 SBOX O ATOM 197 P ADE A 14 2.225 0.935 1.298 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 4.786 -0.383 -1.215 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 6.182 4.791 -6.297 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 3.744 -3.703 -1.128 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 5.947 7.951 -0.551 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 3.491 3.746 6.941 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 0.146 -16.064 10.381 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 -4.429 -2.188 -4.455 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 -10.357 16.443 1.258 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 0.677 0.858 -0.880 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 -2.414 -3.283 1.005 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 16.555 13.434 12.518 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 2.052 3.071 9.989 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 -0.643 -1.300 0.589 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 16.938 17.770 -10.888 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 6.985 2.500 5.122 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 2.186 0.592 0.699 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 -7.142 2.267 4.928 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 3.640 -4.155 -5.747 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 11.961 -13.690 -20.369 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 -4.203 9.492 5.273 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 -2.075 0.731 -7.336 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 -5.562 9.028 -4.562 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 -9.696 11.391 2.191 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 3.109 0.942 -0.688 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 6.393 -0.292 4.366 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 -4.398 -5.670 6.626 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 -17.267 -25.818 -3.738 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 -2.760 0.517 0.679 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 -6.759 -4.537 -23.226 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 5.542 5.848 -1.445 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 5.928 11.170 -1.728 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 5.036 5.482 10.313 1.00 0.00 SBOX O ATOM 230 P GUA A 15 0.819 -1.363 -0.140 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 -5.310 5.052 0.158 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 0.976 0.009 1.673 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 2.967 0.373 -8.972 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 6.630 -4.920 -3.250 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 -20.200 -8.635 -9.291 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 -17.974 -12.799 14.045 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 -3.504 -2.002 -5.350 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 7.773 13.540 4.258 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 0.253 7.851 -0.977 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 -1.072 -8.964 -1.045 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 -6.877 7.401 -15.862 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 4.366 -4.046 8.936 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 6.916 0.610 3.872 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 2.079 11.255 4.391 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 -0.380 -7.829 -3.003 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 1.557 -8.005 6.332 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 0.076 0.334 2.468 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 -0.099 1.881 -3.457 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 -6.418 -3.744 0.488 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 4.580 12.869 -7.544 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 -2.798 2.391 1.492 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 1.032 0.661 1.224 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 -0.120 -7.325 0.181 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 -8.570 -10.477 -19.813 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 1.382 -1.006 3.930 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 3.553 -4.449 -0.371 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 2.743 2.073 -6.352 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 -10.678 -3.866 -22.553 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 9.970 6.165 0.906 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 7.293 -32.643 7.363 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 3.859 -0.379 -5.640 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 2.422 -29.553 3.219 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 4.720 4.940 1.465 1.00 0.00 SBOX O ATOM 264 P GUA A 16 1.101 1.922 1.946 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 -9.137 -4.465 -3.502 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 5.630 4.097 0.301 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 -3.844 -7.334 -4.718 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 -1.038 -2.854 0.604 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 32.241 -26.122 2.017 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 0.991 -2.221 -0.990 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 8.346 -5.474 -2.440 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 9.798 1.599 18.296 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 -0.256 2.650 1.431 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 4.563 -1.404 -1.336 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 -15.502 5.929 -8.583 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 -2.499 5.193 5.389 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 3.413 -9.901 -4.266 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 -14.688 4.619 20.378 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 -2.148 -1.705 4.992 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 -2.533 2.608 0.790 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 -0.140 -1.553 0.451 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 1.464 4.418 0.753 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 -2.362 -4.072 1.335 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 33.897 14.319 -18.731 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 -0.007 2.777 -0.958 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 4.221 0.173 4.623 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 1.329 -11.330 -13.797 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 -14.874 6.696 -1.821 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 7.800 -2.047 -1.544 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 -2.392 1.278 5.449 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 -2.700 -4.273 -13.173 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 -10.972 -8.350 -9.435 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 -1.218 -1.191 9.621 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 -4.815 -9.213 5.678 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 9.010 -4.657 7.781 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 0.535 29.953 11.444 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 2.552 -3.534 -2.855 1.00 0.00 SBOX O ATOM 298 P URA A 17 3.458 -0.500 2.054 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 3.468 -2.859 -1.124 1.00 0.00 SBOX ATOM 300 O2P URA A 17 7.477 -0.019 -5.016 1.00 0.00 SBOX ATOM 301 O5' URA A 17 -1.904 -2.825 -1.662 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 -2.988 -0.858 -10.254 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 -8.453 -10.669 -6.429 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 -15.995 7.516 -11.587 1.00 0.00 SBOX ATOM 305 C4' URA A 17 5.481 -1.228 6.209 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 -18.947 -13.472 28.390 1.00 0.00 SBOX ATOM 307 O4' URA A 17 -2.071 4.443 -0.347 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 -1.438 -2.384 6.924 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 -1.713 15.665 8.281 1.00 0.00 SBOX ATOM 310 N1 URA A 17 -0.904 1.682 1.918 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 2.479 -7.109 7.734 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 14.210 -21.347 -27.793 1.00 0.00 SBOX ATOM 313 C5 URA A 17 -1.200 5.442 -3.176 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 -6.876 2.115 2.781 1.00 0.00 SBOX ATOM 315 C4 URA A 17 3.201 4.989 -7.964 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 -0.544 -0.986 6.119 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 7.119 -2.280 -2.247 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 3.087 -5.420 -6.537 1.00 0.00 SBOX ATOM 319 C2 URA A 17 5.853 -1.395 -3.308 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 -1.421 -1.388 -4.643 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 -5.648 6.322 3.853 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 8.449 -8.212 4.433 1.00 0.00 SBOX ATOM 323 C2' URA A 17 -7.498 7.417 4.439 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 -5.981 8.334 1.056 1.00 0.00 SBOX ATOM 325 O2' URA A 17 -4.853 6.357 5.712 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 -9.329 11.342 15.704 1.00 0.00 SBOX ATOM 327 O3' URA A 17 0.593 -5.194 7.505 1.00 0.00 SBOX O ATOM 328 P GUA A 18 0.203 4.542 -3.451 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 4.080 0.999 1.732 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 -2.040 0.997 2.570 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 2.588 -6.943 -2.448 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 -1.848 4.662 -4.509 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 -13.073 -24.289 2.667 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 -3.233 8.579 -1.620 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 -3.901 8.264 1.537 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 -9.552 -24.731 -5.949 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 0.518 -0.119 3.494 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 9.139 -3.188 -1.668 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 19.261 -4.792 -1.091 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 7.742 2.209 -3.910 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 3.356 2.167 -0.885 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 -3.385 5.635 -3.022 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 2.572 1.768 -0.481 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 -0.909 1.920 1.237 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 -0.234 7.989 2.900 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 1.336 -4.635 2.395 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 -6.537 3.738 -3.899 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 -10.870 -0.644 11.048 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 5.118 3.982 3.534 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 4.451 -2.097 3.372 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 9.743 -8.742 5.171 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 22.028 6.020 -6.913 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 -6.639 -0.690 -4.735 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 4.489 0.315 -9.651 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 -2.270 6.253 3.907 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 -2.481 17.346 9.173 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 3.963 -0.637 4.752 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 -15.309 9.713 10.381 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 -0.691 -3.743 6.001 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 9.936 -5.881 17.323 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 -6.662 0.085 3.677 1.00 0.00 SBOX O ATOM 362 P GUA A 19 -1.090 2.300 3.517 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 -8.504 2.982 1.726 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 -2.694 7.040 0.619 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 0.934 0.512 -4.704 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 0.385 10.208 3.264 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 -4.610 -0.620 15.658 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 -10.297 -11.520 0.522 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 -3.655 -4.188 -1.763 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 -21.300 -10.979 7.400 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 7.546 -2.493 3.531 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 -2.229 6.229 2.816 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 -19.394 3.496 -9.112 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 -0.756 -0.624 0.305 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 6.327 -6.278 -3.185 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 6.937 -6.208 3.931 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 -3.827 1.208 -6.646 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 -1.668 -1.509 0.717 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 -6.069 -0.682 0.528 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 4.468 -0.346 -3.600 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 -3.215 0.011 -3.726 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 -15.006 21.823 18.363 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 -10.734 -4.323 -1.896 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 11.512 1.742 2.950 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 10.996 6.095 -19.057 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 1.424 -11.098 -9.352 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 -3.360 -6.680 -2.950 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 8.378 -7.467 2.985 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 4.570 2.425 -0.140 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 -25.039 -16.481 -6.655 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 -0.673 7.134 -0.265 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 -17.778 33.685 4.378 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 1.708 -4.843 4.308 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 -9.853 -4.134 -3.811 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 3.097 -0.655 2.991 1.00 0.00 SBOX O ATOM 396 P ADE A 20 2.365 3.768 0.848 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 3.073 1.883 0.596 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 5.573 0.697 2.772 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 8.251 -1.880 -2.195 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 -3.171 -3.008 6.041 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 17.917 19.216 -13.015 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 -0.035 -0.748 23.124 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 0.880 -4.092 -1.028 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 5.766 -10.010 -4.890 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 -0.230 -3.530 -1.902 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 -1.351 -2.429 -8.588 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 -8.733 -4.323 -13.612 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 2.453 1.845 2.726 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 -6.253 -1.154 -5.555 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 -4.595 -3.263 -5.788 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 0.874 -2.193 3.414 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 4.757 6.987 -0.723 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 -0.574 4.533 0.082 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 -3.626 -2.980 5.732 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 1.362 -16.355 -12.011 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 0.576 -4.710 16.606 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 3.689 -1.539 -5.296 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 2.279 6.062 -0.227 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 16.205 5.166 19.455 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 -2.869 -5.640 1.890 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 -3.643 -0.420 5.545 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 -7.612 2.334 2.599 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 -22.037 3.301 -1.019 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 4.040 -4.309 1.573 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 -26.851 -11.927 7.622 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 2.600 -0.130 3.581 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 9.651 9.104 8.030 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 -4.157 4.013 1.638 1.00 0.00 SBOX O ATOM 429 P GUA A 21 -6.755 -5.147 6.070 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 2.089 2.815 0.577 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 -3.360 -1.716 1.987 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 2.574 4.700 -3.443 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 -0.838 -2.826 -5.304 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 6.736 22.451 -8.491 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 -14.932 -4.256 -2.700 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 -5.397 4.290 -3.301 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 -9.441 0.743 2.316 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 -0.697 0.952 -0.056 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 -0.775 1.412 -0.490 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 2.361 3.776 -42.429 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 -1.478 0.498 1.739 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 -1.845 -0.703 2.491 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 -3.187 14.451 2.233 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 1.661 -0.728 1.771 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 -5.786 -1.310 6.323 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 -3.313 -8.107 2.490 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 4.452 1.715 1.333 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 -2.038 -1.997 -0.330 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 -20.251 28.268 29.614 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 -4.239 0.110 8.697 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 -2.917 -5.025 0.775 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 -5.538 0.225 -2.086 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 -20.586 -12.544 8.046 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 0.473 -4.133 -9.808 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 4.057 -1.972 7.718 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 0.435 2.717 0.407 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 14.921 7.438 -4.648 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 -1.550 1.155 2.329 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 -23.864 21.910 19.810 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 -1.667 3.319 -1.065 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 -17.479 -11.666 21.989 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 -4.947 3.660 3.988 1.00 0.00 SBOX O ATOM 463 P GUA A 22 3.120 0.038 3.113 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 2.354 1.615 5.421 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 -1.250 4.075 -0.388 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 -0.281 -2.921 -2.377 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 0.793 -5.192 2.640 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 9.048 -8.026 -5.414 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 -1.939 27.508 2.998 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 -2.342 3.687 -10.516 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 11.459 4.551 -3.801 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 -3.836 0.879 2.218 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 -2.509 4.021 -1.381 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 -4.679 11.787 14.497 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 -3.219 4.484 1.969 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 3.141 -1.569 1.478 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 21.988 -32.093 3.837 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 3.519 3.127 5.995 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 9.329 2.243 1.932 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 -7.641 -5.033 0.782 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 2.366 -1.953 2.801 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 -0.396 -1.252 4.732 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 9.046 -20.993 18.531 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 6.273 4.707 -0.030 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 -1.204 5.587 0.481 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 6.828 13.265 -19.535 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 17.773 14.404 16.675 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 0.367 -2.172 3.432 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 2.811 -3.752 2.042 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 -6.315 -3.195 -3.408 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 -10.754 -0.974 -12.596 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 0.562 -5.966 2.187 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 -8.310 -4.411 10.775 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 3.225 0.266 4.440 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 5.806 -5.600 -8.995 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 0.080 -2.382 -2.684 1.00 0.00 SBOX O ATOM 497 P GUA A 23 -0.670 1.812 -1.144 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 4.710 9.245 -2.523 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 0.676 -3.935 -6.299 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 -6.564 2.979 3.828 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 -0.528 -1.557 -1.330 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 8.026 5.621 14.412 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 0.227 6.422 -3.072 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 5.943 0.232 -2.061 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 17.466 8.342 14.283 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 -0.590 6.950 6.895 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 -5.226 4.655 2.401 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 -15.325 -12.909 13.357 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 2.330 -5.860 0.401 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 -4.595 -1.770 4.965 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 7.785 -8.895 -1.707 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 -1.657 1.679 3.256 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 1.563 -3.723 1.915 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 1.498 -0.826 -3.396 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 -4.937 2.484 2.761 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 3.861 2.536 3.367 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 -4.723 3.310 4.533 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 -0.683 1.327 1.345 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 -0.532 -2.578 2.383 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 7.212 3.317 -7.894 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 2.892 -5.397 16.225 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 -1.390 -5.564 -1.716 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 6.205 -5.109 -1.468 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 -3.508 -3.828 -2.160 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 4.455 0.568 18.228 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 5.072 1.180 -0.080 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 7.092 0.222 5.224 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 -3.543 3.845 6.470 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 -25.694 -1.924 -0.124 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 5.662 2.841 3.422 1.00 0.00 SBOX O ATOM 531 P ADE A 24 -2.872 4.480 -2.406 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 -1.545 -4.168 -4.629 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 1.852 -5.193 -3.311 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 6.599 -0.875 7.107 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 -0.379 8.151 -0.095 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 -4.245 8.023 -5.704 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 -7.676 8.103 -3.538 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 -1.606 1.434 6.359 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 -1.877 1.469 13.207 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 1.448 1.589 2.062 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 -4.751 -0.722 3.796 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 10.900 5.216 -4.177 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 0.351 0.887 -3.220 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 -6.677 -4.413 1.677 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 3.562 -0.365 0.016 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 -0.264 8.520 -1.094 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 6.788 4.864 0.892 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 -4.391 7.360 -2.124 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 4.437 5.845 2.943 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 -21.020 -9.429 -15.534 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 -3.447 -12.784 9.562 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 2.967 -6.583 3.576 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 -4.848 -5.930 -0.174 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 -1.303 -0.573 -3.896 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 6.471 1.310 -1.610 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 8.034 -3.683 -5.508 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 -0.102 0.616 -0.358 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 2.454 12.903 -18.974 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 -2.027 0.002 -0.263 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 -35.505 -2.136 -30.110 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 -3.040 -1.168 1.870 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 12.103 26.721 18.928 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 1.465 -1.935 -1.612 1.00 0.00 SBOX O ATOM 564 P CYT A 25 -1.800 4.475 -3.075 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 4.947 -1.195 -3.736 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 2.058 -7.982 -3.559 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 4.683 7.668 4.105 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 -10.677 1.464 -7.511 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 4.596 -5.041 -2.638 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 15.380 26.923 22.880 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 -2.921 -0.197 -3.682 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 -6.366 8.306 6.655 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 1.123 -0.984 0.799 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 0.042 2.532 8.162 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 6.181 -14.739 -3.134 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 -5.764 -3.134 -1.728 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 -1.538 4.833 2.692 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 -9.349 7.339 -2.050 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 3.300 -2.104 3.514 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 -6.733 2.570 13.085 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 2.061 0.664 3.297 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 8.606 1.389 -2.606 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 2.666 -18.461 -29.163 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 -5.237 -24.003 -14.566 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 0.174 -0.911 -0.384 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 7.059 -2.480 -8.580 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 -3.293 -4.567 6.627 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 -7.913 2.851 -6.278 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 8.345 1.403 -21.947 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 2.902 -2.340 0.244 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 -15.701 12.047 13.788 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 7.968 -0.986 -2.909 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 22.614 13.423 -19.192 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 1.716 7.843 3.151 1.00 0.00 SBOX O ATOM 595 P URA A 26 1.451 6.659 0.363 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 -2.497 6.357 3.384 1.00 0.00 SBOX ATOM 597 O2P URA A 26 0.976 7.973 -0.983 1.00 0.00 SBOX ATOM 598 O5' URA A 26 1.831 1.273 2.676 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 -1.134 4.107 -3.085 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 15.246 -15.203 -2.213 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 -8.315 8.230 -16.527 1.00 0.00 SBOX ATOM 602 C4' URA A 26 6.711 -0.556 3.052 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 3.152 -1.700 9.355 1.00 0.00 SBOX ATOM 604 O4' URA A 26 -1.556 -0.034 3.744 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 4.211 -7.034 -6.975 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 1.019 -7.036 -7.728 1.00 0.00 SBOX ATOM 607 N1 URA A 26 -0.642 -3.121 -1.566 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 3.572 4.881 -0.467 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 10.065 -3.438 16.229 1.00 0.00 SBOX ATOM 610 C5 URA A 26 -3.475 1.379 6.185 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 4.102 1.591 -0.510 1.00 0.00 SBOX ATOM 612 C4 URA A 26 4.035 5.784 -2.116 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 -0.093 2.555 -5.538 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 -7.481 5.852 -2.183 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 -5.876 3.978 12.333 1.00 0.00 SBOX ATOM 616 C2 URA A 26 -10.099 1.463 1.558 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 -2.830 -2.049 -1.096 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 4.571 -1.565 -6.560 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 -19.749 -18.158 -31.167 1.00 0.00 SBOX ATOM 620 C2' URA A 26 1.144 3.981 -9.317 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 -11.876 1.704 1.237 1.00 0.00 SBOX ATOM 622 O2' URA A 26 -0.030 -0.772 -4.411 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 12.225 -13.202 0.631 1.00 0.00 SBOX ATOM 624 O3' URA A 26 -5.834 -2.615 3.775 1.00 0.00 SBOX O ATOM 625 P GUA A 27 -1.293 5.257 -4.583 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 1.068 2.349 0.012 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 13.143 -4.806 -4.709 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 -6.259 -8.381 3.410 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 2.255 0.207 -6.053 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 22.504 18.954 0.624 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 0.022 2.564 -7.952 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 1.325 5.668 -7.546 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 -9.881 4.362 3.560 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 3.557 -4.671 7.060 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 8.484 0.275 -3.829 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 -13.100 8.944 -20.677 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 -0.577 -9.785 -4.984 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 1.507 4.034 3.562 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 0.971 19.420 -13.009 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 6.600 -2.707 4.395 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 -4.937 10.296 5.894 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 -1.427 1.571 -2.386 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 0.019 2.411 -0.301 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 2.773 -2.995 0.362 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 5.181 16.983 -16.880 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 6.895 -3.264 0.974 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 0.665 0.709 -8.258 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 -11.195 -13.160 0.452 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 -10.066 -0.124 7.850 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 -3.162 -10.639 -4.551 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 -5.825 -3.478 2.718 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 -0.785 -5.519 0.744 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 18.066 -11.384 0.737 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 -1.708 -2.626 -3.231 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 8.987 5.654 -2.622 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 -0.211 3.083 0.671 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 -1.527 -8.515 -27.732 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 6.568 -6.433 3.076 1.00 0.00 SBOX O ATOM 659 P GUA A 28 -3.487 -0.260 2.011 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 -1.626 2.928 2.988 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 1.944 2.553 -4.085 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 2.090 3.735 -1.116 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 -3.648 1.442 0.542 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 -20.541 -0.764 0.273 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 -9.274 0.643 15.232 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 -3.878 -6.734 5.014 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 14.950 -12.155 -2.805 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 -0.353 -5.008 -1.099 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 2.864 -2.532 -5.676 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 2.131 -39.491 -26.355 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 -2.110 -2.673 1.524 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 1.298 1.254 1.498 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 -4.076 -10.069 3.690 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 1.126 2.246 0.965 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 5.031 4.880 7.967 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 5.798 -2.451 0.546 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 3.349 5.291 9.563 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 7.585 -0.456 -3.490 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 12.109 7.370 -9.378 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 1.922 -0.199 -2.047 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 5.963 0.389 2.257 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 -9.004 -8.027 8.242 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 12.507 7.623 -18.260 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 -2.046 0.760 -3.554 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 1.348 7.126 -11.133 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 -0.803 4.793 -3.139 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 19.098 -5.255 18.071 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 -1.202 5.077 5.228 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 11.933 11.112 -0.153 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 0.325 0.243 -6.688 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 22.835 35.906 1.008 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 1.419 -3.598 -1.541 1.00 0.00 SBOX O ATOM 693 P CYT A 29 -0.758 -1.311 1.975 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 1.512 -0.434 3.285 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 -10.286 -2.726 -2.256 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 -2.305 4.491 -1.036 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 -6.317 0.739 2.332 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 0.468 -2.000 0.983 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 -13.157 -29.872 10.295 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 -3.966 1.841 3.027 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 -4.196 0.589 11.932 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 8.698 1.714 -0.951 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 -3.514 -3.810 2.815 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 3.398 5.151 4.594 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 -2.200 4.706 -0.941 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 -5.042 -0.881 -2.237 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 16.437 0.382 -7.370 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 -0.217 -0.289 -8.298 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 -5.586 -9.396 -5.700 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 2.472 -8.046 -0.618 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 -3.275 0.667 -3.808 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 22.430 -3.301 0.830 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 -0.139 10.230 -11.616 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 -0.911 1.764 -6.482 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 1.235 -7.360 2.194 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 1.063 -1.757 5.981 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 -4.600 -0.212 -5.562 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 2.049 -9.284 11.042 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 1.362 -3.526 -0.657 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 11.435 -8.566 0.634 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 0.538 -3.713 -4.616 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 -8.354 -6.355 -1.555 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 0.003 5.250 -1.742 1.00 0.00 SBOX O ATOM 724 P CYT A 30 -0.625 -4.147 3.150 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 -2.335 3.449 -5.592 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 1.683 -3.204 2.846 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 -7.253 -6.838 -0.960 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 -0.838 2.044 -7.231 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 -9.276 -10.313 1.948 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 17.172 -16.391 9.415 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 -0.522 3.756 2.994 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 -6.669 6.728 -14.029 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 5.381 -7.058 -2.280 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 1.083 0.112 -7.286 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 -4.272 -3.889 -8.665 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 1.679 -8.392 5.437 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 1.841 -0.253 -2.242 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 -11.347 0.501 6.562 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 5.138 2.608 0.961 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 9.614 -5.121 17.906 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 1.677 6.295 2.228 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 -0.833 -1.767 -1.601 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 -19.412 -0.598 3.551 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 1.964 -5.620 15.152 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 -3.199 4.866 -0.427 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 1.965 1.909 1.999 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 3.510 2.340 -11.458 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 0.113 -4.844 4.466 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 -3.222 -4.310 0.146 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 1.439 -4.751 -0.366 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 -6.138 -1.256 18.551 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 -6.712 -4.423 1.056 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 -8.063 -8.289 5.611 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 -4.902 2.511 0.474 1.00 0.00 SBOX O ATOM 755 P CYT A 31 3.982 -3.037 1.108 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 -7.715 -1.843 -2.785 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 -2.107 0.309 -1.060 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 -1.549 -2.345 -5.121 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 -2.545 2.413 5.647 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 -3.359 -17.641 -20.396 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 9.666 24.500 9.574 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 -0.492 1.170 2.595 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 4.692 -6.943 17.452 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 1.536 0.643 -6.738 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 -6.162 -5.401 2.525 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 3.048 -6.894 0.103 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 0.331 5.253 3.622 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 1.732 -5.567 1.537 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 -3.541 8.293 -7.620 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 3.412 0.624 -9.973 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 8.542 -8.710 13.779 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 -2.741 -0.446 1.877 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 2.265 -1.139 6.002 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 -15.489 46.397 -27.941 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 -5.645 6.976 -18.233 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 1.115 -5.626 8.532 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 7.274 2.409 -0.284 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 -3.245 -2.721 -4.370 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 5.535 -5.418 -1.246 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 10.613 0.701 -1.770 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 -2.221 0.441 0.596 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 15.975 -19.750 10.016 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 -2.165 -0.398 6.409 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 -6.277 6.858 -4.124 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 0.989 9.265 -4.203 1.00 0.00 SBOX O ATOM 786 P GUA A 32 5.521 -1.764 1.622 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 0.601 -4.729 3.474 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 2.585 1.539 2.870 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 -4.148 4.473 2.398 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 -1.474 -3.391 0.641 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 -31.032 7.753 -12.200 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 0.115 1.549 2.859 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 3.104 7.061 1.090 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 10.977 8.488 -3.212 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 -3.067 2.066 2.427 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 -2.883 2.254 -5.727 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 1.997 5.352 -13.965 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 -2.091 -0.827 1.441 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 5.774 4.487 -3.773 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 5.956 8.128 -2.906 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 -0.723 0.959 2.802 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 -6.035 -0.433 0.448 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 -3.729 2.539 -0.782 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 3.372 1.233 -6.929 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 -6.959 -2.637 0.757 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 -18.635 -26.274 4.391 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 -9.050 -11.414 2.268 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 1.846 0.184 8.216 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 -5.944 -11.899 27.950 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 16.330 1.027 4.043 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 -5.710 -0.864 1.309 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 7.673 -0.301 7.670 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 -1.826 0.344 -1.388 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 -2.661 -13.279 26.711 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 0.357 -5.477 0.093 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 21.233 15.585 5.252 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 4.860 4.038 -3.830 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 4.084 10.834 -0.324 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 2.055 3.089 -3.083 1.00 0.00 SBOX O ATOM 820 P ADE A 33 -1.011 2.664 1.690 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 -2.060 5.571 10.094 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 9.729 3.280 1.376 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 -0.328 -1.543 3.637 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 -9.160 -3.950 -5.389 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 -9.342 -6.101 -15.156 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 -12.892 -16.306 -2.288 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 4.221 -2.542 -3.760 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 11.190 2.185 8.739 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 -3.802 4.832 -1.208 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 0.616 2.865 7.875 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 -9.034 -0.570 -5.372 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 1.426 3.649 -2.549 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 5.428 2.757 -4.179 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 21.263 7.559 9.079 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 -2.484 -6.593 -0.738 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 4.908 0.705 -1.538 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 10.023 3.397 1.341 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 -4.957 -7.756 -3.852 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 6.704 -3.037 2.351 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 -5.912 -3.907 9.045 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 -0.484 7.283 5.616 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 -0.553 2.798 -1.668 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 -4.246 2.964 -8.825 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 3.160 0.645 2.679 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 -5.610 -5.159 -0.899 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 0.737 -9.026 4.199 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 -16.555 -6.819 -6.880 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 -2.111 5.814 4.683 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 -7.264 3.799 -3.923 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 1.605 -2.300 0.368 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 -1.200 -4.341 5.233 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 5.981 -0.413 0.602 1.00 0.00 SBOX O ATOM 853 P URA A 34 -1.090 -0.938 -1.090 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 -2.185 1.468 2.581 1.00 0.00 SBOX ATOM 855 O2P URA A 34 0.402 -1.267 4.020 1.00 0.00 SBOX ATOM 856 O5' URA A 34 -5.478 -1.517 -3.499 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 1.650 -4.671 2.847 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 7.199 47.597 4.531 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 21.406 -6.303 10.107 1.00 0.00 SBOX ATOM 860 C4' URA A 34 -4.682 -1.196 -1.889 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 13.598 1.293 -35.618 1.00 0.00 SBOX ATOM 862 O4' URA A 34 4.553 2.234 0.035 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 6.716 -0.304 -0.008 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 6.148 -3.551 -3.902 1.00 0.00 SBOX ATOM 865 N1 URA A 34 -4.405 9.675 0.801 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 5.971 0.251 -13.621 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 0.038 11.017 -1.848 1.00 0.00 SBOX ATOM 868 C5 URA A 34 17.344 3.728 -0.364 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 7.145 -14.978 0.255 1.00 0.00 SBOX ATOM 870 C4 URA A 34 -2.692 1.218 -2.101 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 0.612 -1.451 -4.480 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 0.315 -5.930 4.338 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 -1.337 -5.991 20.570 1.00 0.00 SBOX ATOM 874 C2 URA A 34 -6.431 -2.087 6.162 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 -1.531 2.387 -1.280 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 -5.684 8.305 -1.397 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 -4.514 9.968 3.542 1.00 0.00 SBOX ATOM 878 C2' URA A 34 -5.286 -0.973 0.511 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 -1.685 3.302 20.101 1.00 0.00 SBOX ATOM 880 O2' URA A 34 5.779 -2.658 1.364 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 -2.462 -16.575 2.044 1.00 0.00 SBOX ATOM 882 O3' URA A 34 -3.349 -7.566 3.260 1.00 0.00 SBOX O ATOM 883 P GUA A 35 5.854 -0.082 -3.320 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 -6.447 -0.562 -7.395 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 0.693 0.572 -4.707 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 1.495 0.108 -0.122 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 2.347 -1.621 4.752 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 3.381 8.330 15.331 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 -20.403 0.344 7.208 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 14.349 3.099 2.387 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 -29.013 11.311 -7.109 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 -2.097 3.858 -7.991 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 1.226 5.088 -4.963 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 2.324 1.500 4.013 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 0.929 4.915 -1.549 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 6.993 -4.994 -4.406 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 4.612 -14.490 34.137 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 -3.040 -2.505 2.156 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 -7.452 5.031 1.893 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 -0.607 -2.643 -5.643 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 8.353 -0.291 6.568 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 -2.150 -9.595 -0.032 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 2.514 -14.177 19.784 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 -2.219 -5.211 -5.805 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 -1.900 0.902 7.623 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 -1.420 0.911 6.862 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 2.027 1.109 7.524 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 0.035 -5.123 0.066 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 -1.209 -3.346 -1.256 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 -0.032 12.935 2.014 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 3.061 12.943 6.972 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 -0.888 1.019 1.685 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 11.512 -15.694 6.533 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 -5.925 -4.210 -5.111 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 0.028 8.794 -2.763 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 -3.999 -5.227 -1.766 1.00 0.00 SBOX O ATOM 917 P ADE A 36 -0.801 -1.090 -6.732 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 -2.652 -3.248 1.369 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 -3.120 -1.671 -1.036 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 -0.729 -0.539 1.071 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 5.713 -1.479 -4.290 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 27.699 -4.517 -11.441 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 15.467 -27.307 9.055 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 -2.273 -3.962 6.903 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 3.221 -8.996 -17.046 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 -1.168 1.887 4.850 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 2.271 -0.448 -5.267 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 3.374 1.856 -15.584 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 3.317 -4.483 -1.586 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 -2.627 7.617 2.524 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 2.773 -0.091 -5.844 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 1.566 1.628 3.732 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 -2.496 -0.649 -4.549 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 3.887 -1.859 -0.942 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 -11.564 8.004 6.727 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 -12.605 4.175 18.692 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 -11.653 20.728 20.890 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 1.142 -3.476 4.469 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 7.079 2.721 -1.994 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 -3.019 -12.227 -2.039 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 3.034 4.558 -0.129 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 7.136 0.309 -1.650 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 -1.614 -8.379 -2.141 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 -30.171 -3.957 -5.416 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 -2.499 -10.395 -1.843 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 -10.341 -6.397 3.666 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 2.386 2.434 -1.176 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 5.614 -6.722 -1.324 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 -1.712 3.644 -2.228 1.00 0.00 SBOX O ATOM 950 P ADE A 37 -0.327 -0.901 2.774 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 1.962 -4.374 2.053 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 -4.938 0.719 1.368 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 3.471 1.194 -0.121 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 6.583 -0.999 3.029 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 8.948 -8.274 11.308 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 13.649 15.193 16.898 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 -2.323 -3.929 2.914 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 4.910 1.966 6.717 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 -2.642 0.725 3.311 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 -3.353 -6.802 3.784 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 1.239 2.839 11.300 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 -3.206 7.151 -3.289 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 0.125 2.309 4.069 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 3.032 -9.148 -12.754 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 6.798 -4.437 -10.158 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 -1.454 2.922 -1.373 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 1.638 0.641 4.856 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 9.341 1.914 -0.975 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 10.004 0.382 18.362 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 7.452 3.807 8.683 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 -1.203 2.724 -7.307 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 0.505 -2.402 -0.806 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 -11.632 27.100 15.421 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 7.160 -1.609 -5.812 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 1.175 -0.892 -2.168 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 -0.996 -3.086 3.326 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 -15.972 -15.957 1.903 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 -9.520 -0.549 -1.045 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 -11.858 3.676 -14.440 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 -9.504 1.275 8.486 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 9.973 10.178 32.021 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 1.471 -0.876 -3.971 1.00 0.00 SBOX O ATOM 983 P ADE A 38 -2.270 1.444 -1.584 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 2.215 -0.542 -0.883 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 0.156 -4.983 -1.002 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 -8.443 0.399 -1.732 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 8.041 0.728 2.562 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 -11.393 8.278 -27.887 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -35.340 4.253 0.598 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 1.059 2.506 2.766 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 2.518 -4.182 2.170 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 0.241 0.085 3.230 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 -0.438 0.537 -3.062 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 -5.279 3.422 -10.230 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 2.884 5.451 -1.190 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 0.460 2.320 0.594 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 -20.839 -1.483 -10.245 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 -3.647 1.274 -3.994 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 3.407 -1.031 4.556 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 2.288 2.100 -4.939 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 0.113 3.183 1.715 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 16.607 -5.726 -7.502 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 -13.948 14.678 3.203 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 -1.222 2.339 -8.332 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 -2.657 6.572 1.408 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 9.205 -0.161 -1.842 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 7.314 3.003 -2.612 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 -11.978 2.123 -2.016 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 -0.634 -3.250 -9.419 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 -4.019 -11.876 10.446 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 14.298 0.370 1.254 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 9.956 -2.287 19.191 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 2.903 -0.092 3.127 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 6.976 -1.367 2.065 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 3.205 -0.807 6.013 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 3.991 -5.733 4.033 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 -0.275 -4.876 0.289 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 -1.145 -1.987 -4.766 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 -6.476 1.881 2.863 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 -1.367 1.847 0.244 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 4.881 32.678 -27.029 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 -2.151 -9.887 0.228 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 -7.037 0.538 2.717 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 -9.788 0.673 8.176 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 -2.358 4.012 -2.903 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 -3.045 2.347 -5.166 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 25.700 -9.090 17.976 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 -3.800 6.695 7.817 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 4.146 4.553 4.370 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 -0.731 -5.754 -3.255 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 3.521 -5.093 -3.403 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 0.577 -3.859 13.241 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 6.593 -3.801 -1.290 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 -1.787 -6.870 -9.495 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 14.354 22.007 6.033 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 -5.993 -4.312 4.382 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 2.405 5.150 0.716 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 3.210 4.679 0.652 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 -0.991 2.681 -6.272 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 -3.334 4.285 1.392 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 -16.030 18.891 3.053 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 1.492 -6.238 1.377 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 8.139 15.014 11.753 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 -2.841 -5.446 -2.153 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 12.309 -5.911 -0.106 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 -3.659 -1.959 -1.640 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 -2.234 -2.922 3.445 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 2.489 4.366 4.311 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 3.716 4.116 -3.170 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 -0.931 -1.232 3.552 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 -0.897 0.709 9.130 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 -0.227 17.392 22.933 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 -10.206 -15.298 12.829 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 6.727 -3.411 0.673 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 13.373 -5.137 -4.841 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 -0.839 -7.256 8.602 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 -1.247 -1.687 0.834 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 -11.206 6.410 6.976 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 2.924 2.270 4.236 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 0.211 -3.505 -0.321 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 -19.321 -2.793 12.525 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 4.661 6.165 4.352 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 -7.632 9.713 11.542 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 -2.274 -5.174 9.302 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 -3.066 0.753 -2.343 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 -9.172 -0.106 0.959 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 0.762 -1.347 -10.321 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 -0.981 -3.102 -1.840 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 -0.089 -4.159 -5.951 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 -1.016 -3.145 2.799 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 4.131 2.038 7.444 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 14.631 -1.621 20.093 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 3.456 0.954 0.253 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 0.224 2.567 19.587 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 -0.917 2.956 -2.472 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 1.817 30.170 2.606 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 5.158 2.190 3.339 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 -2.062 -2.810 2.147 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 -6.421 4.739 -2.736 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 0.858 -0.767 -2.636 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 -5.606 -1.298 -2.602 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 2.224 -0.874 -2.380 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 -15.550 19.630 -19.870 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 -5.009 13.878 -22.256 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 12.079 2.364 -6.097 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 -11.936 -0.331 -1.784 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 -0.006 0.498 2.502 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 -1.649 -0.792 -0.739 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 -6.217 -9.141 -3.024 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 1.871 -0.021 7.918 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 -2.832 -1.661 -2.271 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 -0.378 -18.238 10.671 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 -7.255 3.061 -1.889 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 3.313 -9.585 -13.178 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 -6.305 -0.092 -4.086 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 -1.507 8.229 -0.044 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 1.110 7.064 -1.640 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 -1.317 12.320 1.528 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 3.852 3.290 -3.080 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 0.206 4.577 5.302 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 2.990 -0.343 -0.170 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 0.974 -8.158 -5.365 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 18.881 2.727 7.310 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 5.203 -2.649 6.330 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 -23.318 18.795 -16.947 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 1.559 -5.852 -5.594 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 5.917 -7.780 3.059 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 3.694 1.952 -2.507 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 0.591 0.488 -0.558 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 -1.313 -1.145 1.149 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 4.658 4.552 0.001 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 -0.428 0.237 1.517 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 -6.564 4.094 -5.281 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 13.101 -3.860 0.604 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 15.729 2.936 28.244 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 -1.270 5.138 5.415 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 8.579 2.946 -4.415 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 -0.384 5.390 -2.693 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 -3.507 -0.884 1.784 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 8.841 1.171 1.283 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 2.144 -1.284 -5.502 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 -0.848 0.516 -8.769 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 6.556 -1.001 -0.687 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 -5.159 3.458 -3.336 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 4.152 3.078 -2.635 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 1.989 -2.654 -3.621 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 9.142 8.549 -6.245 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 3.720 3.847 2.014 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 -1.783 1.965 -3.806 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 5.470 2.568 -1.285 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 0.659 16.210 -3.678 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 23.580 23.877 -13.188 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 -9.545 -9.526 1.115 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 4.735 -0.205 -2.580 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 2.352 -4.306 -2.791 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 -5.182 0.926 2.694 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 9.078 6.699 -5.534 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 -2.758 -3.061 -0.714 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 0.396 13.807 21.220 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 1.681 7.927 2.535 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 -23.904 14.059 -10.089 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 -1.805 0.679 2.439 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 -1.574 0.789 -1.826 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 -0.735 2.202 -3.229 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 8.474 5.498 -0.282 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 4.758 -2.057 0.437 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 -7.645 -3.993 -2.493 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 -13.996 -9.364 -7.275 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 -7.444 -4.569 -2.830 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 -3.491 -3.566 0.564 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 17.885 13.265 -25.067 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 -2.971 -0.230 -1.110 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 1.835 4.505 6.198 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 -8.940 0.535 5.178 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 2.436 -2.857 -5.737 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 2.913 -0.656 -4.503 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 9.198 3.353 -1.639 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 -5.892 -0.291 2.342 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 3.081 -2.490 -3.807 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 1.615 6.175 -1.409 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 -1.422 -4.053 1.222 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 4.237 -2.522 6.252 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 -17.743 -11.166 17.288 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 2.655 3.672 5.717 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 -1.503 -0.082 -3.218 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 0.386 5.362 -1.260 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 12.428 -8.087 -7.466 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 -2.856 -3.911 -6.980 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 -1.815 3.585 3.165 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 -2.495 -9.060 -4.890 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 19.142 -11.735 -10.047 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 -3.596 3.582 -4.831 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 -14.699 -16.403 -10.443 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 2.897 -1.044 1.535 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 7.704 6.586 18.365 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 -3.889 -0.443 -2.689 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 0.322 -0.055 -0.788 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 -5.855 8.339 0.883 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 -5.189 -0.568 -5.001 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 0.156 -3.101 1.653 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 1.869 -6.336 -5.873 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 30.761 -6.704 -6.605 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 11.555 -11.987 31.265 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 4.131 -0.634 1.368 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 -25.129 16.151 -5.767 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 5.001 -0.243 1.521 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 1.500 2.777 -0.825 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 8.858 2.112 9.990 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 2.442 -4.509 -0.808 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 0.328 -1.743 1.572 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 -2.684 -5.967 2.954 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 5.915 -6.638 -1.991 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 -21.176 -6.715 -10.196 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 8.176 -1.632 1.246 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 0.189 -0.974 -0.112 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 -7.253 20.366 35.753 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 15.078 -1.111 -6.626 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 1.673 -2.460 -0.564 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 4.167 -3.561 1.668 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 -2.609 8.318 1.175 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 7.991 -2.240 -5.211 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 -17.584 -6.818 -1.884 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 -1.919 -7.650 -3.628 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 -14.535 -8.589 -1.207 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 3.746 -0.675 1.514 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 10.072 6.756 -18.816 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 -1.363 -5.799 -4.300 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 -2.529 -0.459 -2.409 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 -0.908 2.875 -7.215 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 3.381 5.886 -1.706 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 -7.104 1.458 -2.069 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 5.203 -0.610 4.250 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 -5.876 0.484 -1.353 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 -0.777 4.476 0.352 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 -1.544 2.439 4.430 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 6.603 5.043 5.253 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 0.522 -4.241 1.697 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 3.905 -3.486 5.472 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 6.194 3.875 8.090 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 1.753 14.593 -6.845 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 5.890 -0.938 3.956 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 -16.110 20.228 29.758 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 2.705 0.346 -1.261 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 4.871 -1.360 2.894 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 2.986 5.684 5.060 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 -6.581 -3.846 -5.692 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 -19.862 9.415 -0.373 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 -9.996 10.288 12.655 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 -5.080 -6.174 3.355 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 -9.082 2.288 7.232 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 -10.092 -14.667 -3.201 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 -2.047 -1.915 4.091 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 -0.213 -1.046 -3.152 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 4.679 -0.006 4.398 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 19.021 7.786 15.753 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 -4.273 6.543 -1.177 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 31.925 -9.441 17.904 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 -0.761 8.070 -1.563 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 -22.115 5.110 21.277 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 5.175 -1.270 1.431 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 0.407 2.887 1.027 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 3.074 2.083 10.468 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 -3.304 -1.226 1.526 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 -3.446 -1.345 -0.745 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 -3.035 -5.426 -0.053 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 11.610 12.596 3.030 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 6.135 -7.768 3.979 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 3.205 1.768 1.096 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 17.006 9.878 -17.292 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 -1.323 -1.065 -1.473 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 -1.633 2.073 7.284 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 -2.565 -4.470 17.054 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 -2.199 -0.793 5.825 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 -5.218 -1.518 3.629 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 -15.399 8.503 -5.373 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 -0.905 2.225 6.827 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 -2.327 3.527 -9.026 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 0.871 5.909 -6.418 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 0.571 -2.900 -1.818 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 -8.884 -1.060 23.083 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 -1.625 6.043 -3.398 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 -2.727 0.617 2.359 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 5.494 -3.087 2.162 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 8.091 -16.049 10.791 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 0.915 -1.484 -2.599 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 4.673 -2.282 1.618 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 7.988 -6.866 -7.836 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 4.060 19.968 -8.653 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 -3.160 -0.963 -2.348 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 -2.800 -0.017 -6.706 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 -6.873 -0.463 4.715 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 4.751 9.368 15.267 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 -4.034 -4.634 -2.491 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 1.438 1.509 -4.545 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 -0.157 0.206 2.145 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 1.491 7.539 -0.885 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 -0.385 8.229 4.195 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 2.323 5.208 6.701 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 -2.302 -2.814 18.704 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 -15.185 -24.807 -8.601 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 -1.860 3.448 -1.796 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 -13.736 -3.474 -2.315 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 -0.688 7.761 0.859 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 -4.695 3.207 -1.185 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 -9.630 -6.595 -7.997 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 -4.112 -5.490 -4.203 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 -2.201 4.803 2.427 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 -20.303 21.836 -16.825 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 -3.334 2.201 0.996 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 11.692 -11.993 -26.058 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 -8.245 -0.991 -7.932 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 -0.485 1.011 1.642 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 -1.123 0.466 9.331 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 6.103 5.831 -9.467 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 4.117 3.748 -2.604 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 -5.616 -4.200 0.381 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 2.002 -0.839 0.857 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 -13.131 -11.500 -1.956 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 20.307 10.601 -3.475 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 1.007 -4.696 -1.220 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 -5.535 2.831 -18.855 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 5.546 4.142 -2.173 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 6.029 3.024 -3.361 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 -2.928 2.856 -2.744 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 3.473 1.541 -3.513 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 7.396 -3.638 6.106 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 1.841 -4.307 -3.031 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 -8.106 2.170 -6.280 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 -6.609 1.022 2.568 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 -10.967 7.361 -5.224 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 0.969 -11.501 -3.919 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 -5.621 5.791 1.455 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 -6.216 21.996 18.956 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 6.851 -3.592 -1.913 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 2.735 -1.013 -8.390 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 4.784 -7.373 -7.584 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 0.324 5.650 -5.341 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 -6.612 -7.347 5.311 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 1.346 -5.970 16.802 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 -1.582 4.541 -8.434 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 -7.875 16.445 -4.245 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 2.516 -4.303 1.285 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 3.743 -2.854 -7.074 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 8.524 -0.520 19.312 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 -1.946 -9.119 25.272 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 -3.264 -1.177 7.572 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 -0.781 -3.898 -1.149 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 3.641 -2.447 -0.526 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 5.943 -2.083 4.238 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 13.034 22.324 -6.933 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 -2.648 4.064 -1.154 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 -9.896 0.844 3.569 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 -6.321 -1.111 3.339 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 3.983 -16.851 -3.149 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 -7.746 -0.022 -0.447 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 1.975 -1.524 1.573 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 -0.093 1.939 -1.568 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 -6.105 -1.819 1.045 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 0.538 -2.184 -4.043 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 -4.002 6.207 4.824 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 8.876 35.962 -18.112 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 4.771 -7.404 2.697 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 -1.965 -3.109 -0.327 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 -14.156 2.977 16.441 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 -5.520 2.703 -6.544 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 0.742 -1.796 -1.574 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 -13.424 -3.978 -20.065 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 -10.306 -7.347 -6.858 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 -1.949 3.718 2.157 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 -10.943 -16.108 -29.632 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 3.049 13.425 4.746 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 -7.758 -4.433 -2.422 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 -0.862 1.112 -1.387 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 -10.577 -3.389 -3.605 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 -21.389 -3.316 3.158 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 12.863 -9.134 12.506 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 -1.563 -5.728 5.278 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 -3.446 0.127 2.783 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 -22.486 0.576 -15.622 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 0.369 1.390 -1.766 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 0.019 6.972 0.717 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 -1.229 1.542 0.063 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 1.592 -1.951 -6.656 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 -3.137 6.032 2.841 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 3.300 16.978 6.744 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 3.181 5.767 2.637 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 -5.242 25.499 3.390 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 1.328 -0.961 5.706 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 -4.138 2.909 1.097 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 -0.793 2.545 0.743 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 2.707 -3.643 -0.587 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 -1.233 5.451 3.705 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 0.641 0.600 1.475 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 -13.093 14.398 -5.419 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 -13.341 -2.393 4.491 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 3.209 -1.950 7.723 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 0.822 8.669 -6.048 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 0.672 -4.160 5.752 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 -1.426 -1.655 -3.759 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 12.377 10.532 12.690 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 -0.210 7.208 -5.450 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 0.038 -6.096 -6.028 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 -13.435 -15.537 -2.964 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 -1.842 0.880 0.280 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 6.020 -6.765 -11.601 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 3.619 -9.567 2.469 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 5.858 8.373 -3.565 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 1.107 -0.622 -4.745 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 -12.121 -3.314 9.266 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 4.518 -3.855 -1.393 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 -2.309 3.219 -0.420 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 -7.644 6.056 4.416 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 -7.578 7.705 -5.849 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 -4.460 -9.827 3.391 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 -5.051 6.977 5.442 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 -5.829 -3.993 3.640 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 6.622 -8.333 -31.009 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 -2.242 -4.532 -5.747 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 -11.696 -2.235 20.528 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 -2.771 3.827 4.417 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 -15.470 -16.504 8.980 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 8.409 4.685 -0.981 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 -1.749 0.893 -1.292 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 7.826 1.766 -1.389 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 2.071 -1.659 -0.475 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 5.564 17.523 4.537 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 -6.254 -7.874 4.539 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 3.059 1.580 6.650 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 -1.742 -2.019 -1.859 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 7.228 -5.700 1.293 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 -20.174 15.661 8.562 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 0.062 1.366 -6.353 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 -2.336 -9.276 -3.210 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 -9.124 -12.012 -16.928 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 1.989 0.339 3.652 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 -6.047 5.523 5.540 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 -0.694 0.689 -3.500 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 1.979 2.936 -2.530 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 0.072 0.511 -1.430 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 4.117 -0.126 -3.956 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 -1.804 -7.978 -3.814 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 11.284 0.434 7.953 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 -17.337 4.508 9.580 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 -4.024 -0.947 -5.550 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 -3.194 -2.633 -7.602 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 -4.104 22.757 16.296 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 2.766 5.329 1.771 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 -1.093 -2.212 -2.463 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 -3.248 -3.948 6.791 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 -18.936 -1.260 -29.183 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 0.198 1.629 2.309 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 -13.254 -9.436 -8.309 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 6.877 -5.829 1.053 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 -10.567 -5.230 -1.204 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 1.415 -2.848 4.954 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 -3.405 -0.606 -2.949 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 10.274 3.299 -2.358 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 1.138 7.016 -5.008 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 1.256 1.934 1.264 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 7.436 0.347 -5.131 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 19.233 -10.294 3.759 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 18.066 -32.648 -3.651 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 -2.659 7.563 -2.345 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 -7.587 15.252 2.538 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 1.057 0.695 -4.730 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 1.808 4.630 2.582 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 16.897 12.277 13.362 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 2.831 2.062 -2.072 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 -3.996 1.241 0.765 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 16.311 -3.587 0.372 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 3.724 -6.135 -0.380 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 4.258 -1.401 -0.079 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 -4.710 -3.996 3.742 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 2.532 -5.415 -1.690 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 -7.177 -1.471 -11.268 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 -32.783 -12.387 20.994 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 8.842 8.286 -1.630 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 -0.449 5.483 5.664 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 -19.709 0.451 8.155 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 4.871 -0.111 2.118 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 3.901 -3.948 4.911 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 0.620 4.893 2.484 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 3.193 21.793 2.679 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 -2.899 -4.982 3.586 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 -19.681 0.376 -14.244 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 -2.679 2.260 2.043 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 16.350 8.289 -5.087 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 7.713 4.748 4.291 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 -3.657 5.964 -2.698 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 2.815 4.981 -2.708 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 -1.380 4.193 4.516 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 -6.967 -3.069 3.456 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 4.192 -0.354 -3.806 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 -6.955 -25.553 -7.074 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 11.172 15.143 -7.303 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 1.390 -0.259 2.810 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 4.583 8.122 27.735 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 5.945 -0.252 -0.806 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 0.002 2.914 -1.376 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 -6.969 -0.047 6.004 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 1.620 6.390 -2.434 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 -1.207 4.261 6.548 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 -11.006 2.683 27.098 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 -5.980 2.662 -0.024 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 -3.715 -1.096 1.139 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 -11.485 0.270 7.210 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 -2.237 5.427 2.841 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 1.725 -0.455 0.936 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 6.506 5.445 -4.603 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 -2.146 1.672 -2.361 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 -0.186 -5.104 -1.287 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 13.462 -11.521 1.097 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 -1.676 -1.864 -3.430 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 6.299 -2.756 -4.029 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 0.772 8.291 -2.208 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 0.528 7.616 -35.953 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 0.766 -2.574 6.007 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 -1.920 -30.348 5.844 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 4.832 -4.878 -0.022 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 12.927 -13.982 -18.403 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 -0.774 0.088 0.595 1.00 0.00 SBOX O ATOM 1502 P URA A 54 -0.936 0.275 -4.658 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 -3.460 -3.682 4.935 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 -3.293 5.038 -4.141 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 5.458 0.551 -3.061 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 -0.043 -0.951 -6.723 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 -5.316 -6.367 -4.236 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 -10.828 -7.572 -14.999 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 4.529 7.305 8.095 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 12.296 -7.741 32.157 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 -0.364 1.779 -1.159 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 0.497 -8.312 2.147 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 2.723 -4.340 0.691 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 -4.012 -3.841 -1.427 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 2.748 2.186 1.109 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 -18.400 -10.118 4.231 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 -3.550 1.398 6.424 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 -7.905 13.573 4.825 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 -0.317 3.618 -4.246 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 -6.874 -1.659 4.421 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 -5.545 0.372 -2.272 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 -13.148 -6.976 -5.205 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 -2.891 10.320 5.071 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 4.614 -0.022 1.920 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 2.141 -0.282 -0.609 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 -28.819 19.723 -1.792 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 2.809 -0.279 5.599 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 13.069 0.297 27.777 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 -1.111 0.469 2.644 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -13.779 -17.107 -13.829 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 -5.014 -0.653 -7.110 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 -4.647 -0.697 3.128 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 -4.376 -2.516 -4.646 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 2.348 9.605 1.150 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 1.963 4.773 -1.361 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 -3.138 -0.824 4.027 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 30.202 10.975 7.726 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 -20.608 -19.930 -18.176 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 11.416 3.747 5.005 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 5.420 8.641 5.311 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 3.320 -0.060 -0.366 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 -3.373 -2.725 5.371 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 -25.694 -23.478 -1.422 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 -9.560 2.370 -1.248 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 -1.811 -3.848 -0.421 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 27.198 -5.274 -9.310 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 6.011 3.710 -2.394 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 -5.362 0.389 -0.648 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 -0.803 -4.640 1.070 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 0.880 5.396 6.204 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 -1.190 -3.904 -0.667 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 15.433 -2.143 13.645 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 -2.545 0.596 1.158 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 1.373 2.905 2.873 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 3.890 1.327 -11.515 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 13.079 -24.963 14.924 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 -3.000 3.108 6.283 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 -4.017 0.858 0.539 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 0.437 -2.983 3.347 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 21.956 -7.827 -8.348 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 -4.492 5.985 1.508 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 5.888 10.916 -4.631 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 -1.293 -5.076 -0.702 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 0.969 -17.220 -17.995 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 2.476 -1.008 -2.674 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 1.519 -3.163 -0.313 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 0.795 0.740 2.533 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 2.491 -1.684 -1.800 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 4.129 4.861 5.790 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 0.880 5.349 3.940 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 4.179 1.178 7.253 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 -2.860 10.443 -1.700 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 11.527 2.552 9.166 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 5.547 -8.444 15.080 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 -2.437 3.577 1.350 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 -1.263 4.631 2.624 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 12.468 3.500 1.788 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 12.119 9.772 6.839 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 -0.204 -1.021 -2.949 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 17.640 -14.697 -18.382 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 3.700 2.137 -7.457 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 -6.291 6.160 -5.003 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 -0.587 -4.722 -9.394 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 3.424 -0.045 -0.331 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 -3.289 -0.053 -5.061 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 -2.303 0.262 -11.005 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 7.411 -4.956 7.755 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 6.227 -1.434 3.296 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 -4.364 9.452 -1.551 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 20.937 5.374 -15.627 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 0.918 -3.942 -6.048 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 -1.943 -4.492 4.199 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 3.952 1.429 -2.126 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 -15.436 5.670 16.896 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 1.084 -2.237 1.950 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 -2.203 18.669 -16.783 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 4.588 2.130 4.748 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 21.817 2.866 13.039 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 0.687 3.162 -5.269 1.00 0.00 SBOX O ATOM 1600 P URA A 57 1.504 6.189 5.387 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 -1.855 -2.005 1.704 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 6.042 1.528 -2.783 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 2.770 -4.518 0.959 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 -3.693 5.257 7.734 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 -2.620 16.244 7.711 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 -13.570 -7.851 14.162 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 -5.403 -2.575 4.935 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 -5.179 2.733 7.846 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 -1.513 5.634 3.072 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 2.708 -1.048 -2.037 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 6.317 -19.600 -9.034 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 -5.313 -0.950 1.252 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 -8.291 3.376 3.663 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 -24.912 10.843 -4.459 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 1.138 3.079 -2.447 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 -3.740 28.334 19.906 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 -8.107 -0.411 1.102 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 2.482 0.970 1.042 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 0.436 4.663 2.578 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 -10.555 10.280 2.703 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 -4.154 2.961 6.044 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 -2.181 2.806 -0.232 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 2.471 -1.896 0.187 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 -18.289 -16.412 7.085 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 0.684 -0.561 4.404 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 -1.495 9.582 -3.422 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 -0.035 -2.688 -0.116 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 3.441 -7.726 22.525 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 -5.502 -2.359 2.606 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 2.413 1.473 2.771 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 -0.625 4.475 5.354 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 2.528 1.054 0.105 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 -2.167 10.200 2.164 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 -2.232 -3.261 5.857 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 -0.464 -12.272 6.527 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 -11.353 -4.688 -18.858 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 0.958 7.014 -2.027 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 -12.601 13.459 9.493 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 -5.671 5.717 3.636 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 -5.279 1.061 -4.129 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 -6.264 1.243 -4.985 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 -1.117 2.926 -5.381 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 2.823 -2.540 6.254 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 5.272 -21.124 2.021 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 -1.204 6.178 -0.283 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 3.308 -3.714 -3.580 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 4.250 3.314 9.795 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 -2.822 -0.886 -0.035 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 3.611 1.451 5.680 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 9.746 -18.174 -18.704 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 1.342 -2.673 -5.556 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 0.310 -1.814 -3.225 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 9.098 4.868 -15.539 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 -19.472 -6.883 -26.113 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 -6.080 3.708 1.163 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 -0.769 6.967 6.570 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 -7.326 -0.664 -2.190 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 -10.011 -12.149 -24.148 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 1.105 -7.861 0.438 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 16.291 9.089 0.185 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 -0.077 6.183 3.343 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 -13.689 7.518 -8.343 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 0.468 -2.547 -3.765 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 2.397 2.319 1.769 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 1.011 -1.083 -2.768 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 -2.487 -4.569 -2.990 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 2.208 -6.128 -5.144 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 -3.374 2.927 1.427 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 13.236 -32.304 -16.737 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 -19.574 -0.806 -11.549 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 -7.803 -1.601 1.986 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 5.281 -10.050 8.287 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 -3.049 -3.103 -0.181 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 3.274 -3.777 -3.779 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 4.006 -11.836 -5.104 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 3.629 1.280 -3.699 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 0.552 -3.840 -3.945 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 -21.978 -28.382 -2.299 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 -10.759 8.054 1.816 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 -5.585 19.073 -27.466 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 -1.527 -7.509 0.025 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 1.406 -4.757 7.128 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 7.064 12.372 16.675 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 9.345 3.490 -12.825 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 -0.649 -5.110 0.839 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 0.429 -4.830 -9.756 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 -0.819 -8.236 -2.516 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 -2.095 -0.039 -2.275 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 2.041 -3.732 -7.331 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 3.469 -2.654 -2.562 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 27.645 9.621 3.371 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 -2.440 4.004 -5.633 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 -6.922 -5.819 1.537 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 -2.232 -4.412 0.992 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 -2.948 -1.604 -1.330 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 -0.433 4.310 2.999 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 3.569 -0.181 2.453 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 -2.001 -3.900 -2.234 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 3.152 -2.954 5.351 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 -3.995 18.514 13.947 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 -12.391 20.258 -15.365 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 3.074 -2.787 5.179 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 -4.992 5.830 35.104 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 -3.471 -2.364 -4.536 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 -10.565 5.063 -2.806 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 -12.974 4.135 -12.184 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 7.656 -0.739 -3.038 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 -6.416 -3.838 0.241 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 15.057 3.607 -0.125 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 2.373 -4.358 -9.811 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 1.416 -3.578 15.916 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 -12.757 0.958 -1.801 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 3.563 7.559 0.031 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 -18.291 -6.241 -4.305 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 6.064 6.794 10.325 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 1.706 -2.374 -3.098 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 -10.362 4.046 0.710 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 -5.185 0.184 7.653 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 -1.809 -2.939 -5.278 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 -5.741 26.964 12.558 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 4.837 2.379 -0.864 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 12.441 -12.862 -16.457 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 -0.480 -2.997 0.557 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 12.440 16.634 7.101 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 1.286 2.877 -1.975 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 -2.294 -2.057 -4.034 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 0.813 -2.087 4.403 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 1.161 1.444 0.777 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 -0.850 2.304 -2.842 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 -7.812 6.982 -4.645 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 17.260 10.362 2.672 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 -11.184 -7.953 -5.590 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 -0.241 -11.918 3.053 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 13.766 26.512 10.538 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 -0.844 0.282 -4.904 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 5.955 -2.326 6.121 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 -11.305 22.506 8.963 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 -6.721 -1.928 0.187 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 -1.249 1.525 3.104 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 17.415 -13.237 17.064 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 1.057 -4.070 -3.923 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 10.211 7.310 -7.298 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 3.010 2.731 -1.708 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 0.343 -6.311 0.635 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 4.788 -24.424 17.674 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 2.422 -7.780 -0.875 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 7.455 -4.058 0.152 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 -3.096 0.284 2.899 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 -1.311 -8.491 8.625 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 11.692 -5.503 -1.921 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 1.526 1.388 1.207 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 2.526 1.741 -2.794 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 5.239 9.126 -4.218 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 -2.210 -0.898 3.468 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 -7.334 -1.284 23.304 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 -1.640 -2.004 0.810 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 32.692 11.586 9.497 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 -4.675 -5.327 2.023 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 2.530 -2.461 1.428 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 -0.344 -1.426 -3.830 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 -4.863 -1.465 -1.706 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 3.770 -0.580 -0.360 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 3.062 4.630 8.351 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 -5.303 -16.306 -14.717 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 5.888 -2.217 8.571 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 5.473 -2.084 -5.759 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 7.016 -9.211 -7.854 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 -1.703 1.186 -1.672 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 5.509 -2.006 1.497 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 -4.532 -10.674 2.875 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 3.441 -1.456 0.508 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 -1.821 -2.084 1.271 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 27.925 -2.770 35.058 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 -2.204 0.884 -2.759 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 -7.888 -1.351 8.103 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 1.110 -3.734 1.220 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 10.109 -2.448 -4.732 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 3.956 -21.457 5.684 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 6.188 -23.388 8.472 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 -0.306 4.284 -1.710 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 -0.903 -0.507 2.226 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 14.913 10.678 -3.253 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 -3.632 7.883 0.093 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 -0.830 -4.337 -0.832 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 1.960 -7.885 -3.501 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 -9.431 -15.182 5.494 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 -1.446 -6.818 0.505 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 -19.863 -23.591 12.528 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 0.541 1.859 -3.790 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 17.241 -10.429 -10.672 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 -0.227 7.833 -0.162 1.00 0.00 SBOX O ATOM 1792 P URA A 63 3.820 2.915 1.127 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 4.487 -4.179 -7.608 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 -3.642 -11.167 8.418 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 -2.520 1.090 -1.806 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 0.053 2.446 -3.526 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 13.215 18.274 -22.946 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 -1.064 3.627 4.897 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 -3.028 8.797 -6.780 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 -1.140 11.938 -7.459 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 -5.768 -2.038 2.810 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 4.368 2.614 7.324 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 -11.347 -5.540 3.383 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 -5.606 -6.332 -0.489 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 3.332 5.973 -0.007 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 -21.102 29.304 16.530 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 -3.479 -5.493 4.879 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 -4.004 2.575 4.147 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 0.056 -1.339 4.527 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 2.583 2.356 2.284 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 4.014 5.870 1.004 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 -10.558 23.379 15.734 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 -0.141 -0.001 -11.988 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 -2.067 -1.045 -6.951 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 -0.761 5.905 -4.863 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 14.177 4.904 30.747 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 2.233 4.456 -8.124 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 12.275 17.942 -2.282 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 1.945 -1.405 -3.987 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 10.893 0.214 0.174 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 1.130 1.291 5.699 1.00 0.00 SBOX O ATOM 1822 P URA A 64 -0.286 0.597 0.335 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 6.873 1.720 1.831 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 -2.853 -6.121 -4.348 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 1.281 1.889 -1.033 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 3.403 -10.863 3.348 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 -20.800 -21.449 13.600 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 -24.334 8.543 13.848 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 2.306 4.583 0.751 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 19.883 -2.654 26.152 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 -1.663 2.801 1.201 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 1.083 -5.064 0.637 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 -4.940 2.724 -13.291 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 2.299 5.146 5.291 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 4.086 -6.814 3.388 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 7.738 30.064 49.625 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 -1.676 0.190 1.281 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 -5.531 5.080 -4.539 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 0.285 0.887 5.087 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 -3.736 -4.001 6.681 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 -3.200 -0.868 -0.323 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 -3.574 4.568 9.776 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 8.214 6.917 -9.325 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 2.363 -5.336 0.611 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 6.077 0.020 3.450 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 5.567 5.266 10.462 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 -2.792 1.629 -1.769 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 -8.802 6.688 36.541 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 -5.210 -0.317 -0.344 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 3.422 -8.675 -10.619 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 1.597 0.926 -3.941 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 -6.969 3.584 -7.144 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 -3.178 -1.496 0.559 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 -2.284 5.643 -2.571 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 -3.862 -1.245 0.446 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 8.205 -3.366 -3.326 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 -13.884 -10.227 -4.354 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 -4.858 -1.481 -16.177 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 5.955 -3.609 -4.133 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 12.273 -24.428 -8.625 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 -7.789 7.544 -5.203 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 -2.024 1.919 -5.854 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 3.289 -30.377 -4.295 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 -6.275 2.400 -6.658 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 4.526 0.048 -5.971 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 -4.272 8.303 -15.088 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 -0.458 3.201 -6.704 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 -4.812 -10.431 4.923 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 -2.043 1.042 -2.318 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 1.749 4.170 -0.511 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 -7.360 14.703 -15.416 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 -10.776 5.267 9.198 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 5.062 -0.953 -4.337 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 -2.459 0.577 -2.378 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 1.306 -0.515 -2.329 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 -3.726 3.235 6.987 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 0.644 0.473 0.192 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 5.767 -6.327 -0.546 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 12.351 -4.643 -21.196 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 2.700 -5.106 2.395 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 -7.776 3.078 -26.030 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 -6.611 -3.147 10.432 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 -2.336 -3.203 1.739 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 -5.819 2.960 4.439 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 1.945 -5.622 1.049 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 -0.176 -5.541 -8.053 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 0.031 -0.972 -3.107 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 -0.308 -7.305 -8.261 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 6.757 7.374 9.592 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 -7.137 -4.468 1.139 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 -0.838 2.690 -17.029 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 1.048 3.278 2.667 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 1.737 -0.815 -6.683 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 -23.590 5.905 -12.599 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 -0.449 10.264 0.775 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 0.726 2.146 8.760 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 -11.723 -17.204 -0.628 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 3.452 2.265 -2.635 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 15.790 -8.560 18.357 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 -3.383 -1.800 3.083 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 -2.949 -1.774 -2.160 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 -1.402 -1.143 1.091 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 -14.029 5.947 -13.442 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 -7.463 6.492 0.506 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 0.836 3.457 8.344 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 -0.102 -4.194 7.068 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 9.588 5.322 -1.157 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 3.737 -13.778 14.800 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 -1.539 -2.215 4.733 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 6.579 12.540 2.341 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 1.027 -3.012 -4.956 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 1.295 1.896 -2.269 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 -2.987 -1.179 1.482 1.00 0.00 SBOX O ATOM 1914 P URA A 67 -2.063 5.322 1.685 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 -1.249 -8.364 -0.964 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 0.324 -8.059 -3.473 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 -2.419 3.835 5.819 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 -6.304 -7.691 -11.257 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 -18.913 4.712 -0.112 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 -31.264 4.409 3.458 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 3.265 -5.428 0.408 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 8.288 -4.176 0.426 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 -2.448 0.834 7.178 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 -4.787 -4.449 -1.502 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 -15.409 -13.035 -6.565 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 2.536 -2.768 2.807 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 -0.976 -2.799 -8.955 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 15.682 -12.300 28.484 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 -4.086 -0.260 2.538 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 -11.570 -16.067 6.699 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 -6.809 2.953 5.725 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 2.414 4.389 0.270 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 -1.627 -4.674 -4.521 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 26.236 -41.173 14.557 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 -0.568 -3.724 -1.019 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 -4.975 5.200 -0.963 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 1.564 10.127 -4.040 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 -4.503 -22.609 14.451 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 -0.902 0.907 -0.113 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 6.598 -0.569 -3.037 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 -2.101 3.898 3.202 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 6.489 15.614 14.529 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 1.086 0.994 4.433 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 -0.557 2.941 3.025 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 3.563 3.789 1.702 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 -3.640 1.501 0.142 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 -4.332 -2.995 -3.778 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 0.989 3.047 -0.966 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 -14.695 6.678 1.159 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 6.366 -1.756 -8.487 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 -3.209 1.138 -9.960 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 7.577 14.952 -12.039 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 -3.252 2.187 3.140 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 0.914 -4.089 -5.482 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 -9.585 -19.758 -24.006 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 -1.270 0.651 -6.780 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 -4.473 4.172 3.703 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 5.466 -4.667 4.714 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 0.158 2.519 -3.456 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 1.853 -4.414 -0.119 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 1.148 -1.830 -0.418 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 0.958 -3.409 3.605 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 -0.903 3.312 -3.816 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 12.123 -3.686 15.365 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 -0.354 1.557 0.684 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 2.040 -2.884 4.780 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 37.905 -8.462 4.644 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 18.852 17.001 7.026 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 -0.434 -1.585 1.578 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 5.479 3.691 4.506 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 -1.930 -1.286 -7.213 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 3.516 8.277 -10.514 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 0.123 1.977 7.054 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 -9.906 -0.852 10.141 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 -0.649 4.179 -4.667 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 -26.346 7.893 20.540 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 -0.376 -7.081 -9.701 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 -2.277 5.278 3.400 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 -0.785 2.979 2.546 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 1.696 -1.006 0.485 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 1.869 -1.064 -5.444 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 0.692 -3.475 7.341 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 3.614 -3.263 -22.169 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 0.283 -3.098 -23.442 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 -2.884 -1.027 2.020 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 8.229 -5.064 -8.367 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 4.400 -1.250 -0.134 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 -5.565 -5.175 -5.702 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 -10.072 10.482 -11.104 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 -1.246 -0.561 -1.164 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 -0.325 0.392 -1.202 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 -1.139 -14.261 1.126 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 -5.095 -1.420 -0.940 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 -18.969 -10.221 -3.292 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 -1.879 -2.359 -0.207 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 -2.160 -1.166 -3.383 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 -8.120 17.654 -17.979 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 4.688 -25.986 -16.251 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 -2.288 5.514 -0.957 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 3.166 5.368 -8.376 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 2.814 2.376 2.822 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 7.570 1.066 1.825 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 3.454 6.815 3.927 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 3.729 1.591 -1.879 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 17.974 -22.117 2.197 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 -4.789 2.823 3.102 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 -4.412 11.147 1.552 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 5.527 1.034 1.038 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 -1.943 1.583 2.180 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 -1.820 -3.124 2.307 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 0.758 1.294 1.031 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 7.344 0.979 0.809 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 -7.248 -2.078 6.677 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 -14.013 7.064 5.657 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 13.545 1.447 -7.617 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 2.568 -1.606 10.938 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 -11.721 2.078 12.512 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 -1.209 -2.891 -1.011 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 -0.605 -1.902 4.481 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 -16.019 -0.490 -4.609 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 -4.582 2.960 5.724 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 -5.297 -1.444 -13.246 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 -5.115 -6.183 1.425 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 -5.388 2.007 -7.590 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 -0.392 -4.981 3.642 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 8.321 1.975 -7.216 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 -2.032 1.520 -5.739 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 -15.943 -22.250 -20.219 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 -17.630 -26.940 -17.182 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 8.265 3.980 -0.062 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 -8.963 3.466 -1.218 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 -15.254 2.593 -9.359 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 -3.974 -0.264 3.006 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 -4.904 -3.712 4.756 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 1.980 -5.043 -2.795 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 6.926 -3.925 -2.323 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 -6.055 -5.335 -4.004 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 -15.976 -2.520 10.601 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 2.093 -5.181 0.859 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 -1.301 6.438 26.677 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 7.420 -6.810 6.497 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 -4.966 0.568 -4.918 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 0.681 -1.667 -1.720 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 6.830 -5.478 -8.709 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 -2.575 -5.861 -1.282 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 0.056 -5.697 1.975 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 14.923 -42.179 1.836 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 -31.538 -5.726 -9.426 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 6.695 -8.461 -3.286 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 17.295 18.021 5.608 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 -2.146 -1.247 6.964 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 1.629 4.586 -1.862 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 2.528 16.914 -13.190 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 -0.331 6.465 3.000 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 -1.729 -2.572 -0.264 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 6.767 6.081 -12.376 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 0.655 -1.997 0.011 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 -3.174 -5.998 -8.403 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 10.785 -1.278 2.080 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 -1.024 4.159 5.193 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 -5.152 -7.000 -5.752 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 -9.410 -4.237 1.387 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 1.006 -5.547 -7.177 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 1.363 2.007 8.442 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 7.132 1.292 2.054 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 4.909 -0.927 6.859 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 1.666 -1.613 6.746 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 8.760 -6.426 -1.026 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 -7.462 2.939 -3.242 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 -26.234 -1.234 -12.390 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 4.265 1.498 -6.247 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 -3.001 3.947 -0.981 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 6.756 3.315 5.291 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 7.766 -3.657 -21.861 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 9.082 -8.077 3.475 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 -4.691 1.511 0.731 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 6.219 4.341 0.605 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 6.129 -1.602 -1.290 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 2.837 2.114 1.045 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 -1.759 -9.676 -12.788 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 -2.048 -35.718 -0.216 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 15.874 -16.293 -21.801 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 4.186 1.259 -0.999 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 5.661 15.025 4.733 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 3.316 -3.339 1.547 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 -0.572 -3.533 -6.562 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 21.205 3.216 19.494 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 5.521 -1.208 -8.214 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 4.723 1.152 -10.726 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 0.642 24.072 24.600 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 -3.248 -3.187 -0.882 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 -5.185 2.924 -24.874 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 -0.284 -2.562 3.921 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 5.291 5.861 -7.557 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 12.982 12.871 -3.905 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 6.145 1.647 10.664 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 -1.789 0.774 2.391 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 0.867 0.096 6.445 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 -2.620 -6.397 -5.197 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 -1.202 4.945 2.641 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 -0.251 -25.574 -0.567 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 1.896 5.083 0.228 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 7.950 -14.601 -1.455 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 0.405 1.539 -3.888 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 15.556 31.355 -1.216 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 9.812 6.925 -6.602 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 6.436 0.539 4.877 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 -3.445 0.148 -1.224 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 -0.773 -4.274 1.805 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 -3.609 -2.645 -0.042 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 -7.871 -3.936 2.036 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 -20.362 4.381 -4.987 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 6.714 -12.233 3.882 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 8.269 2.488 1.844 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 13.479 -1.571 23.812 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 -4.682 -1.545 3.942 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 -6.795 4.244 0.383 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 0.534 9.563 -22.293 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 -4.099 2.126 -6.504 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 -2.314 1.846 -3.558 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 -8.022 10.386 3.032 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 7.157 11.094 9.781 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 -1.635 -2.410 0.633 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 -0.697 -2.419 14.991 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 0.917 -3.126 7.537 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 -0.298 -0.264 1.151 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 -17.901 18.320 10.842 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 8.330 3.644 -3.263 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 9.489 1.926 -2.972 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 11.848 -9.172 -8.219 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 10.479 -11.491 -3.320 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 7.906 3.593 -2.380 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 2.303 -3.059 -1.961 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 -2.464 -1.522 -3.623 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 13.089 29.036 10.351 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 -2.596 3.642 -1.182 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 -34.401 14.432 -14.239 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 1.212 -2.681 -2.606 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 -7.783 9.939 7.596 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 -3.480 5.011 1.220 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 2.286 5.321 -2.130 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 1.761 3.108 1.318 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -3.361 -2.533 3.413 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 2.170 -6.676 0.110 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 -2.270 0.957 1.924 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 -10.686 -15.061 -12.300 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 0.499 -4.178 9.766 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 -0.626 -0.272 4.456 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 -5.504 6.753 9.046 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 6.984 6.636 4.638 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 6.525 1.099 8.059 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 11.792 -15.029 -6.198 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 1.314 1.277 -3.152 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 -0.259 3.439 9.442 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 3.348 -17.117 -4.077 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 -4.525 2.293 2.522 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 4.935 4.622 -0.580 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 -2.395 -1.107 1.389 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 8.870 5.693 -1.920 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 4.709 -5.591 -11.525 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 -3.417 2.339 -14.284 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 -2.032 -6.526 1.788 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 1.559 -4.113 -4.772 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 12.683 -8.773 16.127 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 9.051 21.047 -14.398 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 -5.776 2.504 -10.479 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 2.079 1.703 8.209 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 1.969 -4.130 3.726 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 -7.499 -4.500 15.517 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 2.141 -6.076 7.363 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 -1.539 -20.438 -2.903 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 -2.441 6.502 1.769 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 3.447 14.574 9.336 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 2.191 -6.959 -0.061 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 0.760 -1.639 0.364 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 -0.774 2.434 2.983 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 -1.067 0.190 2.992 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 0.100 -0.525 3.416 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 -2.105 1.860 -7.525 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 -2.954 1.514 9.901 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 -17.051 16.596 1.330 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 -4.467 3.121 3.792 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 0.819 8.908 -18.236 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 -4.228 -10.604 -4.825 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 1.880 1.764 0.503 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 -12.846 14.168 -11.043 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 -5.820 0.017 -2.949 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 -0.245 5.115 -1.663 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 -5.033 15.322 3.619 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 -5.658 -5.735 0.673 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 2.557 -4.916 -1.617 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 -5.016 5.787 -1.026 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 -2.368 -0.203 -1.987 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 -11.848 -24.355 -10.901 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 4.561 17.707 13.383 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 4.974 -6.118 5.191 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 -3.504 7.287 -4.232 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 -5.217 4.900 -6.214 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 -0.954 -0.016 -0.041 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 5.894 1.302 -3.832 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 6.455 -1.157 1.210 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 1.527 -14.010 13.870 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 3.388 -3.684 -1.294 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 33.111 4.773 -12.763 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 -2.467 -2.018 2.315 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 13.941 24.725 4.846 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 -2.440 -2.144 -5.483 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 -2.828 2.633 -1.750 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 -2.295 1.523 3.243 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 4.262 -5.096 1.912 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 -2.753 -3.543 -5.801 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 -1.626 2.411 -0.868 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 -17.322 -12.920 17.287 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 -10.746 7.048 11.808 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 -2.609 5.781 -4.981 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 1.358 16.819 0.016 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 -3.055 -0.595 6.746 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 5.021 -6.589 3.548 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 -12.668 12.420 6.233 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 -0.603 -3.490 -9.042 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 -1.420 0.775 5.644 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 2.315 17.939 12.819 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 -5.637 -2.003 5.229 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 4.898 -7.407 -5.707 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 -4.019 -9.098 -0.116 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 -5.030 1.253 -2.270 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 -11.979 -19.510 5.204 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 -24.441 24.139 13.490 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 5.740 8.995 -0.768 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 -9.178 -7.120 6.112 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 7.946 19.833 17.589 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 -3.792 2.148 2.212 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 -5.625 -7.071 -0.678 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 -7.634 6.482 6.079 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 -7.158 17.636 7.170 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 -1.659 0.628 -2.894 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 20.254 15.379 10.721 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 2.321 5.868 1.778 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 9.216 6.698 -3.860 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 -2.728 -3.974 2.572 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 0.163 1.788 -2.827 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 -2.182 -1.438 -0.652 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 3.895 -0.475 3.505 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 1.786 -5.503 0.878 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 7.554 2.175 -6.582 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 12.056 11.574 -16.877 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 15.987 -12.113 17.021 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 1.318 -1.005 -10.392 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 0.441 -0.132 -10.728 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 2.417 -1.168 -2.680 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 3.458 3.558 3.269 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 12.016 30.596 -3.942 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 -0.006 -3.637 3.702 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 4.908 -5.599 -5.354 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 -2.216 6.892 9.214 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 0.511 -0.618 -1.697 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 -2.475 -0.681 -6.408 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 0.376 6.707 4.726 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 -2.936 6.514 5.077 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 -1.846 -0.343 -11.980 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 -10.620 7.267 10.422 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 0.981 1.201 2.897 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 -4.444 -2.867 1.085 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 -4.097 -13.435 -5.884 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 -6.140 1.549 3.399 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 3.679 1.234 -1.857 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 2.965 -2.635 2.569 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 31.000 -10.976 12.773 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 -3.202 0.971 0.860 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 8.324 -5.135 23.292 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 -2.303 -8.197 1.769 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 -20.382 6.927 21.603 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 -2.119 0.423 -0.537 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 0.903 1.296 1.736 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 1.901 -6.035 0.738 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 0.901 -5.873 -4.964 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 1.038 0.967 -0.347 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 -3.525 -1.507 1.863 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 4.482 3.903 -0.293 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 9.823 0.253 2.776 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 6.373 2.572 3.947 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 17.858 31.044 4.354 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 0.079 -2.583 -0.246 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 -12.922 -1.889 -2.146 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 -12.157 4.441 -23.679 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 -2.366 2.943 4.563 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 1.981 -6.343 -4.922 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 -16.355 7.734 -0.965 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 9.692 0.940 1.381 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 -0.492 18.219 29.267 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 -7.846 -5.744 -2.263 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 -2.541 5.971 -2.305 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 -11.096 4.332 -9.450 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 -0.943 2.538 5.046 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 2.562 -0.631 3.991 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 -2.832 2.156 -7.638 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 8.193 -7.744 0.617 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 8.358 5.600 -6.493 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 0.437 -14.088 7.658 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 -2.328 2.315 -1.388 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 -44.502 1.871 0.713 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 -2.129 -4.692 -0.188 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 -2.971 13.435 -7.501 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 0.729 1.018 -3.693 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 3.758 0.638 1.203 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 3.704 -3.789 4.036 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 0.065 -5.339 -3.766 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 2.104 -3.100 -3.398 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 0.475 -0.273 -6.263 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 16.720 -11.651 -7.190 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 -19.043 -5.518 -16.750 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 -5.798 3.413 5.910 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 -0.228 -18.646 -5.585 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 -1.895 -2.176 2.208 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 0.388 0.624 -7.367 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 -5.510 3.490 -1.514 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 3.305 4.648 -2.192 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 1.094 -3.680 -4.291 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 5.316 -1.231 -1.435 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 2.077 -2.005 -0.762 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 4.124 0.963 5.552 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 -3.008 6.588 -3.032 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 -9.558 0.586 8.351 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 1.478 -5.601 2.007 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 6.639 25.358 12.198 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 2.501 0.295 -1.180 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 -0.854 8.546 -5.499 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 4.594 -22.841 -31.094 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 -6.329 -9.483 -12.213 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 -4.350 3.280 1.710 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 -4.853 2.754 0.539 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 -1.155 -1.263 -5.167 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 7.288 -2.451 -41.520 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 6.088 2.477 4.555 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 18.957 -5.762 0.614 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 6.186 -0.833 -6.808 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 -5.555 9.093 -1.369 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 -4.808 4.213 8.650 1.00 0.00 SBOX O ATOM 2339 P URA A 80 -3.689 -3.679 1.360 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 1.884 9.840 -0.678 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 -0.043 -0.492 1.169 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 3.301 1.562 1.369 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 -5.384 1.172 2.446 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 3.420 -11.329 0.183 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 3.864 7.963 -4.325 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 -4.392 7.610 1.001 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 -11.450 9.264 -8.266 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 -3.772 -0.582 -0.112 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 0.971 -7.265 -1.281 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 -8.657 1.752 16.207 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 -1.322 0.499 -5.877 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 0.171 5.539 -2.517 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 -14.032 -12.514 -1.984 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 -10.158 4.268 3.957 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 0.357 -10.866 -2.615 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 5.380 0.566 0.277 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 7.892 -6.871 3.708 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 -2.350 -2.353 -4.284 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 -19.840 -3.331 17.710 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 3.065 -0.770 3.216 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 0.605 -0.537 -1.672 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 4.196 -0.498 -2.977 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 19.621 -9.510 2.697 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 -4.483 0.106 2.941 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 -7.632 16.765 -19.490 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 -4.003 3.906 -4.992 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 -12.615 -9.837 3.311 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 -0.793 1.573 -3.017 1.00 0.00 SBOX O ATOM 2369 P URA A 81 1.315 -2.020 0.115 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 0.932 -0.000 -1.808 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 1.293 -3.257 0.680 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 1.839 -3.604 -3.208 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 -0.576 -6.493 -4.380 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 -2.941 1.178 -15.691 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 8.750 0.604 -7.053 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 -3.112 6.714 -3.056 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 6.874 -4.516 -7.361 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 0.340 -2.467 1.962 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 -4.159 3.246 -6.798 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 5.316 8.654 4.988 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 -3.269 -5.551 3.709 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 2.210 0.758 4.965 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 1.309 -2.951 -7.022 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 -5.913 2.903 5.247 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 -18.739 -13.628 -3.846 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 -1.123 -4.358 8.627 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 -2.097 -6.740 0.088 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 -1.483 2.714 3.098 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 2.230 11.260 -7.755 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 1.562 -10.264 -2.747 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 -4.524 3.336 4.204 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 2.005 5.522 1.077 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 11.298 5.518 6.153 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 -1.366 1.130 2.936 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 -2.628 2.440 4.021 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 4.330 3.491 3.967 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 -2.153 -11.241 -1.287 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 2.161 2.075 0.906 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 0.182 9.770 -0.558 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 5.632 6.787 -0.337 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 1.035 2.805 0.042 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 -1.269 3.717 3.135 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 5.267 -2.674 3.538 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 13.705 -9.279 5.774 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 5.501 15.593 -9.716 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 4.066 -1.126 -8.519 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 -14.195 3.092 -3.722 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 0.567 -5.416 6.047 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 -0.342 -2.208 -1.962 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 -6.590 -2.601 10.845 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 -2.085 0.832 12.054 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 7.220 -3.166 1.917 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 4.969 -9.880 5.345 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 -0.250 1.623 -1.270 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 -2.334 5.482 -3.225 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 10.778 0.361 2.574 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 4.754 -5.306 2.930 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 -1.325 1.490 -0.375 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 7.958 10.306 10.334 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 1.908 2.194 3.366 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 -1.517 -4.279 2.672 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 5.063 12.507 9.859 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 -18.666 -5.727 -1.775 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 -3.534 -2.338 2.545 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 -4.241 0.648 0.013 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 1.749 1.627 -5.748 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 -14.790 10.222 6.425 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 0.232 -3.190 -4.836 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 -6.706 15.358 9.063 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 -0.870 1.091 8.783 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 -13.070 15.996 -0.947 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 -5.966 -0.541 -4.336 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 -0.576 1.338 1.502 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 -0.572 3.455 -2.278 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 0.440 5.574 -1.920 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 0.070 11.243 4.065 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 4.178 -2.896 4.246 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 -28.176 15.656 7.368 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 -20.972 -12.421 -2.373 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 3.302 2.390 -3.013 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 -13.748 9.714 8.936 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 -4.006 -3.320 -5.150 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 2.644 6.853 7.007 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 -5.356 1.515 25.753 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 1.945 -6.096 -2.105 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 -5.739 3.682 1.554 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 -11.264 5.787 -5.868 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 6.114 -1.184 0.070 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 3.728 -0.348 6.300 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 3.273 -4.583 -8.493 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 4.729 7.348 -2.073 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 -16.547 -22.409 -15.153 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 -11.659 -10.486 30.659 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 -4.976 -0.546 0.499 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 4.968 -5.485 -1.258 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 -10.036 -40.205 8.757 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 -0.498 0.215 4.278 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 -1.909 -0.873 0.685 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 -4.589 -2.824 4.735 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 17.233 -5.993 -10.678 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 0.435 1.024 -2.125 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 -7.630 1.503 -8.516 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 7.729 -1.062 5.279 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 10.086 -25.026 18.139 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 2.232 2.011 1.042 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 -1.953 -0.046 -4.543 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 -1.275 -1.931 1.910 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 -2.979 3.880 2.777 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 -4.436 -1.649 2.467 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 -2.040 -3.261 2.291 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 14.815 -9.637 13.728 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 -25.095 -2.493 17.330 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 -0.061 -6.663 0.326 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 13.319 9.830 6.641 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 -1.490 -1.984 3.444 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 -0.618 -6.582 1.401 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 16.830 -15.606 12.957 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 -2.437 -9.763 6.318 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 3.299 -6.908 4.314 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 -5.343 4.888 6.856 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 -0.937 -3.741 4.033 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 5.154 -8.954 1.993 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 5.650 -6.166 1.954 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 -0.781 -0.350 -0.309 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 -13.891 16.798 11.077 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 15.265 -28.260 4.552 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 6.081 -1.202 -0.022 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 -0.887 -3.635 -2.014 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 -0.488 12.009 1.534 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 0.384 -0.983 3.287 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 -0.804 0.278 10.654 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 -2.257 0.635 3.380 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 -20.980 -18.592 3.082 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 0.796 -1.067 0.531 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 -9.029 -2.109 2.132 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 1.372 -2.137 0.969 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 0.696 15.011 -2.327 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 4.567 -2.388 0.364 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 1.065 -0.573 -0.819 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 3.458 -6.957 1.781 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 1.159 -7.192 0.612 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 2.048 3.952 -0.876 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 -7.964 -2.650 10.318 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 -16.681 -4.190 -14.928 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 -14.247 10.862 -1.284 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 -8.957 -5.080 -3.316 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 -6.380 -13.032 2.347 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 -2.468 0.997 3.040 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 -13.935 -0.934 3.544 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 16.261 -2.108 -4.297 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 -0.725 -2.586 9.887 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 1.019 -1.277 5.422 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 1.604 -6.767 -1.406 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 -6.288 5.871 -2.463 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 -0.515 -4.165 1.422 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 -7.482 7.149 6.690 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 8.434 -2.807 1.826 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 10.585 5.073 4.105 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 5.782 7.548 11.666 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 -5.083 -1.099 15.328 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 0.114 1.043 2.996 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 14.084 -30.949 -12.597 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 1.080 -1.093 -2.748 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 0.865 -10.608 2.129 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 8.128 6.950 1.693 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 15.938 22.741 5.566 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 4.402 6.514 -4.647 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 14.475 6.728 34.906 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 -1.194 -1.286 -7.664 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 10.029 22.630 22.142 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 -1.547 -0.169 0.319 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 -1.257 1.370 -0.373 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 -3.850 6.958 2.525 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 2.914 -5.378 -7.262 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 2.776 2.091 -1.025 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 4.076 -2.117 6.627 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 -1.691 -22.043 23.497 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 2.136 -4.552 16.522 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 1.680 1.856 5.251 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 -14.704 -27.225 -9.407 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 -1.437 1.050 9.203 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 -5.315 4.818 -1.556 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 -20.682 20.137 6.205 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 4.394 -5.422 5.021 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 -6.517 -0.971 7.766 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 -6.731 -3.233 0.460 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 0.547 -3.553 -6.336 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 9.440 -3.151 -3.379 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 1.485 2.564 -3.523 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 -1.089 4.375 2.723 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 2.650 1.053 10.478 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 5.337 -18.917 45.808 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 0.573 2.367 -3.390 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 1.493 -9.949 1.119 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 -4.722 8.357 -22.327 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 1.131 19.063 9.787 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 0.546 2.789 -0.347 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 -3.013 -4.006 4.365 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 3.235 -4.179 2.984 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 33.201 -6.578 12.033 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 -3.046 1.558 5.107 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 14.775 12.981 16.983 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 0.107 -1.418 0.290 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 3.721 5.883 -4.137 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 0.629 3.112 -1.031 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 -2.956 -0.086 1.712 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 -3.953 1.304 5.561 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 10.319 -0.708 -3.618 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 2.858 0.154 0.709 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 4.586 -2.928 4.346 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 -24.558 -9.201 7.153 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 13.513 -5.396 -41.917 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 -8.087 -0.151 1.707 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 41.289 5.131 -0.850 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 1.607 0.832 4.821 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 0.836 -1.909 0.220 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 9.661 27.214 -13.304 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 -3.690 5.741 3.011 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 -4.342 6.816 -6.342 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 2.309 14.096 11.819 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 -1.147 2.496 -4.163 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 6.001 -0.862 -3.491 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 0.545 3.919 -6.283 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 1.639 -6.508 1.385 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 -11.866 -1.754 -22.807 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 -4.255 -7.088 18.627 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 -5.861 3.136 -7.970 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 -2.669 2.614 -2.070 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 -13.175 -15.710 28.474 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 -5.215 7.455 -3.119 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 3.577 -7.694 -3.096 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 3.365 -5.965 5.441 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 13.012 -0.839 4.724 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 2.912 1.012 3.556 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 -8.078 -0.456 2.418 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 2.701 0.319 5.171 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 -12.055 -13.950 0.857 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 1.050 2.033 -2.026 1.00 0.00 SBOX O ATOM 2599 P URA A 88 2.626 -1.017 0.271 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 -8.622 -0.155 -0.304 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 -2.185 -1.798 -4.525 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 -4.431 -1.172 1.160 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 0.925 4.807 2.459 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 -6.200 6.913 2.425 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 -6.588 7.295 12.902 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 -4.370 -0.567 -10.111 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 19.352 22.295 -1.472 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 -0.562 -4.871 2.609 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 -5.294 -1.752 3.671 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 -9.598 1.383 18.656 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 3.904 -0.049 -0.923 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 -0.418 -3.303 2.270 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 7.810 15.301 40.817 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 5.113 1.890 -2.027 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 2.745 -14.712 -10.802 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 3.288 -7.860 -4.589 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 5.145 -1.177 6.268 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 4.491 -0.662 6.674 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 9.999 -31.267 -18.779 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 -0.364 0.982 -11.272 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 -3.225 -1.146 3.332 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 -0.998 -5.765 -1.474 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 -6.961 -29.097 -29.600 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 -0.213 3.129 4.352 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 -3.280 -8.858 1.040 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 2.688 -1.109 1.201 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 -2.495 0.274 1.503 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 1.985 -0.323 -0.294 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 -3.717 2.190 -2.115 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 1.581 3.740 -0.800 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 -3.136 -0.424 2.818 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 4.686 -0.086 4.917 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 -8.101 0.556 -2.115 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 -1.165 10.232 -1.576 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 -11.633 5.464 -7.919 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 -3.349 -2.648 6.625 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 -6.691 -6.552 9.655 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 1.010 3.311 -0.701 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 7.971 -5.746 2.718 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 3.749 3.657 12.776 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 3.981 3.551 1.738 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 -6.970 8.094 4.342 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 -18.558 25.395 14.478 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 2.780 -0.083 -7.431 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 0.062 0.962 0.471 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 -1.197 3.427 7.600 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 -3.300 -1.269 1.401 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 3.063 -3.517 1.280 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 -0.221 2.998 11.023 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 -7.433 -2.974 3.402 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 -4.051 1.112 4.452 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 -10.296 3.323 10.377 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 3.972 14.112 -3.933 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 4.108 2.410 3.716 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 -7.794 8.098 -3.228 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 -1.500 -1.223 -7.055 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 -12.534 -27.585 0.093 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 4.518 0.164 -2.876 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 -2.550 -21.295 -11.341 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 -1.774 -2.663 7.001 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 4.331 2.992 -28.476 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 1.853 -4.039 -3.487 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 0.494 3.754 -0.062 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 -0.297 -0.581 3.737 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 -3.922 -0.216 -6.491 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 1.186 1.172 0.739 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 5.599 -10.965 1.314 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 1.025 -42.075 11.605 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 -1.596 -2.964 -9.794 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 4.400 2.522 2.153 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 13.866 4.863 12.671 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 -2.190 3.609 -0.090 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 5.167 1.304 0.833 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 -9.907 0.763 -17.601 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 -5.400 1.013 2.343 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 -0.699 -4.542 13.183 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 20.152 -4.788 -15.132 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 0.663 -4.035 -12.050 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 0.852 -4.241 3.728 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 0.781 -1.667 1.111 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 4.192 -4.879 -3.398 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 0.422 -10.711 -16.632 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 2.939 -4.269 -3.356 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 -4.035 -7.051 -3.067 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 3.525 8.414 6.280 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 5.751 -5.639 -22.051 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 2.097 1.979 0.162 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 10.193 -1.500 -8.258 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 5.433 1.487 2.456 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 10.292 -11.817 3.667 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 9.028 -0.306 4.328 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 9.703 2.006 4.568 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 1.410 0.592 3.669 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 -17.217 7.850 26.272 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 0.657 -5.437 -0.945 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 -2.957 -5.639 2.094 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 2.961 -5.462 1.839 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 1.677 3.453 1.276 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 7.939 -4.194 3.104 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 -1.751 0.160 -5.183 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 -1.285 -9.391 -5.327 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 0.180 6.319 -10.748 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 1.254 -0.687 -1.384 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 -7.809 23.295 1.171 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 2.095 2.059 -13.459 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 1.504 6.426 9.033 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 -6.409 8.901 -11.501 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 -5.380 0.305 -3.337 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 10.708 0.840 -1.258 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 -5.991 -11.405 25.740 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 -0.778 1.192 -0.793 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 -5.359 4.190 2.819 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 -1.215 -1.812 5.228 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 -1.475 -1.907 -0.361 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 -2.261 -10.948 -2.472 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 -0.296 -13.624 3.153 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 -4.955 1.367 -1.473 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 1.385 1.704 -0.259 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 -4.783 -4.406 -0.727 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 -25.462 -29.560 -15.495 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 1.939 -2.371 -1.046 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 -5.167 -3.213 -1.769 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 -5.508 -0.575 -5.089 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 19.556 -15.445 8.820 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 1.039 -0.798 -3.286 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 0.969 3.412 -12.302 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 0.550 3.122 0.749 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 34.847 -4.158 -9.366 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 -5.866 -0.387 -1.780 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 1.595 -0.003 -5.437 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 -2.948 -2.353 -0.245 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 -0.973 3.510 -5.016 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 1.307 4.257 1.297 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 -0.354 -0.881 3.366 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 -2.543 9.267 1.523 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 -22.905 -0.938 -12.259 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 -6.504 -6.318 6.187 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 1.483 -29.400 -2.693 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 -1.922 -0.780 -1.406 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 -1.170 -6.685 3.840 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 10.313 -10.160 -1.919 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 2.390 -2.811 3.036 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 -12.136 -14.139 -2.492 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 3.690 8.131 -6.571 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 -9.228 5.187 0.662 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 25.761 14.911 0.408 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 3.856 -2.407 -4.250 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 -0.540 5.959 -2.150 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 -3.007 -5.764 8.447 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 23.476 7.509 -27.228 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 5.173 -6.215 -3.975 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 6.865 -10.885 3.558 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 1.680 -1.770 -3.739 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 -0.347 6.343 -1.545 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 14.442 5.249 5.348 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 -3.900 -0.459 -2.647 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 -6.502 15.902 -3.891 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 -3.753 -4.490 -4.786 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 45.254 -8.751 -15.921 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 -1.604 5.912 -7.452 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 0.831 1.013 -0.271 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 -5.350 2.991 2.450 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 -0.068 16.715 -1.540 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 2.078 2.703 -4.912 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 -0.974 -0.633 7.466 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 -7.212 20.233 15.841 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 10.992 -28.167 -7.568 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 0.081 -6.450 -3.169 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 11.055 -7.350 -11.287 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 -6.436 -5.421 1.228 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 -2.741 7.327 1.644 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 14.268 7.643 -4.330 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 1.370 0.706 -3.969 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 -2.401 6.305 -2.241 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 -19.292 -2.827 -6.630 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 1.638 3.359 -4.942 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 5.956 -0.780 9.740 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 7.334 2.308 -6.345 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 -5.607 -2.232 8.608 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 2.063 2.894 9.236 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 8.580 14.785 19.914 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 1.856 4.004 -4.637 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 7.220 0.340 3.147 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 0.095 0.071 2.877 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 -0.506 1.889 3.588 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 -7.348 2.173 2.638 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 -0.324 -1.579 9.289 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 4.659 -29.872 -15.063 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 -1.860 0.740 4.061 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 -1.203 16.677 1.230 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 -0.080 -2.189 -0.716 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 5.184 0.714 -3.605 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 10.058 2.906 11.300 1.00 0.00 SBOX ATOM 2794 P ADE A 94 -1.309 -3.710 3.002 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 -5.834 2.686 1.392 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 -2.081 -2.092 5.158 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 2.262 -5.143 1.359 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 2.869 2.407 -0.602 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 -7.108 9.282 2.790 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 -20.072 13.759 33.580 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 -1.246 2.125 -3.839 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 4.369 5.640 -0.585 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 -0.015 -0.549 -6.308 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 -5.691 4.879 1.035 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 0.587 -8.081 8.587 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 8.814 -0.982 4.581 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 5.149 -0.740 5.590 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 -5.349 -21.753 0.046 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 -0.552 4.594 -1.622 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 -0.456 3.086 -0.238 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 4.405 -1.008 2.826 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 0.844 -5.781 -1.993 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 6.622 7.060 6.310 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 -12.606 -7.765 -2.496 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 2.382 -3.322 -2.273 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 6.372 -6.903 3.767 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 -0.571 3.444 0.539 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 0.087 -0.450 -3.986 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 7.838 1.546 -2.344 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 4.263 4.844 -2.947 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 -0.020 3.434 -6.800 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 4.626 7.615 1.487 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 15.450 1.444 -18.821 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 -0.848 -4.020 4.386 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 -14.870 -1.578 3.017 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 -4.245 -0.843 3.172 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 -6.327 5.309 27.478 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 -3.600 -2.929 -18.060 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 -1.022 3.004 -2.886 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 12.393 0.386 2.709 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 -14.731 -14.422 -10.751 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 -3.592 -8.233 7.308 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 -4.199 -9.846 7.656 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 -1.297 -9.683 7.846 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 9.066 6.570 -4.016 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 8.258 -0.430 -10.477 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 5.433 4.521 -18.168 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 3.099 0.851 -7.800 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 4.162 9.171 -0.621 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 4.590 4.620 -4.989 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 2.918 7.730 -6.252 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 -8.278 -3.849 -3.187 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 1.693 22.028 5.768 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 -3.089 -2.277 -3.519 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 -5.340 -13.827 13.129 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 -1.571 1.561 -5.120 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 0.566 -1.315 -0.908 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 -0.847 23.880 -9.240 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 3.302 13.775 -1.341 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 1.711 -0.152 -5.392 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 -9.011 -4.998 -12.614 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 2.967 -0.808 0.031 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 11.712 -0.283 -0.486 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 16.486 -0.676 2.408 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 23.085 -14.440 12.148 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 -7.348 -5.029 0.426 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 -2.813 -10.522 -21.593 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 9.255 -7.662 -14.851 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 -6.463 -4.211 1.956 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 -10.710 7.950 -8.446 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 -4.389 -19.456 12.885 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 0.232 -1.821 1.261 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 -3.419 29.014 13.642 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 -4.467 -2.716 3.362 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 -0.185 -0.747 1.423 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 -13.289 -1.749 -15.123 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 -23.161 9.840 3.949 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 -6.608 -3.042 -7.697 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 -4.221 -1.182 1.094 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 -4.230 1.359 2.264 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 -5.679 -1.398 7.006 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 -22.957 0.124 20.418 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 5.823 -7.625 19.827 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 -0.230 4.453 3.480 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 1.829 -5.319 5.207 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 5.393 9.482 1.911 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 0.130 1.607 5.168 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 -2.529 1.150 6.816 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 -14.844 -2.866 -9.897 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 4.122 1.818 2.324 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 -5.719 -14.931 -27.398 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 -9.636 7.342 8.747 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 2.796 6.139 -4.674 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 -12.015 12.305 -29.382 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 -5.373 -9.686 7.722 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 4.703 -1.894 3.987 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 7.452 -5.804 4.982 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 -7.692 18.376 -10.085 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 -9.909 3.100 0.846 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 11.368 17.689 17.115 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 -16.376 -0.692 -0.880 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 -0.753 -2.114 -3.458 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 1.576 -18.021 10.832 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 -6.689 7.789 -10.023 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 1.727 1.288 -9.374 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 37.689 15.182 -15.157 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 -14.306 10.465 -2.621 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 -1.638 0.066 -0.110 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 -19.598 6.484 9.785 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 -1.874 -0.131 -5.910 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 -2.334 10.321 -4.125 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 17.659 5.225 -13.544 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 -21.664 -6.678 19.949 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 -2.132 5.171 -7.438 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 -9.499 19.728 3.791 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 -18.640 -13.324 3.804 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 7.161 3.321 2.208 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -10.029 -5.142 -8.547 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 26.569 -15.600 -3.827 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 1.320 3.711 3.709 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 -0.198 4.346 2.550 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 -28.565 4.254 11.957 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 -3.873 0.099 6.710 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 -3.949 -0.237 10.447 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 -6.208 0.467 6.469 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 2.027 0.463 -1.350 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 -6.299 5.043 -0.407 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 7.751 -1.932 2.691 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 4.325 0.544 -5.076 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 -14.344 -5.765 -4.099 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 1.520 14.400 14.418 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 -2.331 -2.429 -1.273 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 -0.304 19.918 10.600 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 -18.163 -4.577 -13.831 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 -4.021 -6.650 1.089 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 -6.271 -20.724 7.926 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 11.508 5.015 20.320 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 -5.979 -4.920 5.066 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 -11.938 3.360 -2.085 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 11.598 1.268 2.599 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 -1.101 -3.683 2.513 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 -5.330 -10.676 8.307 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 -6.474 -2.040 3.426 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 -0.497 -2.055 7.502 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 6.669 5.104 1.219 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 -9.266 4.436 2.512 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 1.665 -9.020 -4.193 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 -4.861 -27.072 -4.895 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 -8.927 2.020 -30.792 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 1.972 0.507 -0.194 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 -9.192 0.722 8.736 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 -30.670 -0.169 28.422 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 -4.549 -2.504 5.548 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 -19.465 -0.674 -3.698 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 2.830 -7.275 6.869 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 -1.424 -2.658 2.818 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 16.396 -1.758 10.417 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 -2.100 0.059 2.345 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 4.402 -0.837 3.908 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 2.823 1.140 4.801 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 2.370 2.153 -8.981 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 -7.259 -3.239 -6.845 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 -25.530 -0.924 2.990 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 -17.330 0.643 0.529 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 -8.084 -7.102 4.974 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 -15.601 -8.839 -0.900 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 6.267 -21.615 8.753 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 -1.503 0.981 7.886 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 10.344 24.711 13.196 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 9.702 -5.941 -9.528 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 1.818 0.096 -0.111 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 2.901 1.967 16.119 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 6.470 -6.810 11.036 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 0.748 -5.059 -3.811 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 -9.415 -16.493 -5.813 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 -0.669 -1.087 -6.737 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 4.227 2.171 -1.484 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 -33.012 -5.363 -4.359 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 -3.575 9.354 -6.986 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 -2.446 -2.566 2.411 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 2.448 -3.235 -3.443 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 3.585 -9.303 9.185 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 -0.354 8.461 -1.874 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 -0.366 25.369 13.062 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 -5.656 -12.513 -7.550 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 0.938 2.764 4.828 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 -0.643 -14.367 -13.236 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 -5.994 -8.151 5.522 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 -7.376 -0.063 5.678 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 0.177 -3.655 -4.165 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 -18.658 11.320 -4.927 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 2.158 7.896 -6.743 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 32.671 5.110 -8.691 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 -1.443 5.218 -12.553 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 -1.517 -5.610 -0.272 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 -12.509 5.531 13.354 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 -3.441 2.785 -10.959 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 2.104 2.822 4.913 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 -15.243 -16.684 -3.513 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 4.560 4.528 -4.237 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 -2.122 -7.389 2.429 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 -12.770 -9.334 7.934 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 -1.759 -16.509 8.742 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 -4.381 -3.299 -7.155 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 -10.548 7.187 3.641 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 -13.251 0.298 -1.731 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 -10.705 -1.904 -7.242 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 7.526 10.353 8.716 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 2.523 7.789 17.225 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 -7.665 -2.166 0.291 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 -13.247 10.719 -13.800 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 -4.833 -14.968 3.680 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 -6.687 -0.780 1.549 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 -5.159 -8.222 -0.783 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 -6.615 -8.113 0.711 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 -3.432 3.020 -4.350 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 1.551 17.826 -10.798 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 -8.753 -6.669 -30.507 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 3.342 1.373 0.958 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 7.672 4.256 -2.034 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 0.015 0.178 -2.834 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 -3.004 1.871 -3.856 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 7.509 22.689 -5.812 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 16.890 -15.052 2.305 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 -4.961 3.591 -6.179 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 -18.340 -9.568 -4.893 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 -0.197 11.422 8.520 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 -5.311 3.168 2.670 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 -24.456 -1.685 13.849 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 -21.753 7.999 -9.095 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 1.750 2.733 -3.313 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 -6.008 9.068 -5.821 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 18.964 -8.122 -16.247 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 3.078 3.308 -0.382 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 0.575 -10.068 -12.060 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 -11.326 -3.378 15.025 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 -7.876 0.567 -6.079 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 -7.752 -0.987 21.604 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 -33.910 -19.135 -7.940 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 -0.960 -5.630 -5.679 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 -10.103 -12.822 -0.433 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 9.227 -3.830 -22.027 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 11.327 4.995 1.539 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 12.386 -12.701 5.854 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 25.034 10.784 4.118 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 6.040 -7.472 1.080 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 -5.310 -10.538 8.003 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 -11.589 -11.791 -14.505 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 3.205 3.974 5.760 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 -14.607 -16.285 4.855 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 -9.242 -19.886 6.436 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 -9.295 -2.751 -2.044 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 20.070 10.627 7.152 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 -4.540 19.183 -6.361 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 -3.175 -0.918 -0.133 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 4.356 -24.966 -13.415 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 -14.330 2.284 -0.649 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 4.497 -4.546 -2.682 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 9.742 -9.111 -5.699 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 -0.847 0.983 -22.740 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 2.629 -2.615 -7.301 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 -0.096 -0.205 -1.861 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 1.971 -23.564 -6.588 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 -1.348 -0.907 -5.922 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 27.148 -38.938 -3.279 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 -10.511 -13.626 9.644 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 -3.023 5.506 2.971 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 9.747 0.692 -15.261 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 -34.686 12.401 -15.929 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 -1.933 2.783 -1.593 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 -7.588 6.762 2.179 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 15.704 3.162 -2.223 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 1.303 0.325 1.325 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 -4.716 -12.517 8.705 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 -9.785 7.378 -10.697 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 2.689 4.545 0.773 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 29.846 -29.382 -12.532 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 -14.063 25.118 -32.066 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 -3.942 -7.431 -0.435 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 -8.076 -10.963 -7.668 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 -6.304 5.422 -13.301 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 -1.062 -0.777 1.245 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 -0.178 -18.312 4.143 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 24.869 -2.720 5.522 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 -3.089 2.120 3.477 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 -2.803 -0.883 8.919 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 7.194 -8.055 5.527 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 4.736 2.059 4.026 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 -13.099 -2.209 -14.662 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 -6.958 13.044 2.806 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 -3.682 1.355 -1.192 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 -11.084 4.879 -12.230 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 -1.790 4.255 3.923 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 5.056 0.874 -2.772 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 1.595 -19.262 -6.234 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 5.451 8.576 -21.405 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 2.872 3.391 -0.292 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 -9.638 12.374 -6.200 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 11.903 -19.834 11.118 1.00 0.00 SOLV ATOM 3090 MG MG X 205 6.018 1.012 -2.739 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 -1.147 -2.189 1.994 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 1.084 0.215 -6.186 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 0.116 3.065 2.769 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 -1.548 0.736 -0.759 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 2.297 2.324 4.612 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 5.942 -8.506 -9.008 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 3.022 0.120 -1.158 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 -2.039 -9.070 0.398 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 -5.612 3.591 1.857 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 -1.109 2.229 -2.365 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 -4.776 7.159 20.488 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 7.551 -2.750 -0.341 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 4.458 -1.111 5.850 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 -0.726 8.585 16.950 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 -3.750 0.271 -3.463 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 4.141 -1.794 3.144 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 -5.646 -4.929 -3.043 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 6.708 -1.392 -1.848 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 -13.867 -8.758 31.582 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 -3.763 -29.953 8.391 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 -4.452 -0.855 -0.765 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 12.319 0.536 16.123 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 -8.588 1.434 8.066 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 -6.006 4.223 -2.744 1.00 0.00 SAM ATOM 3115 N SAM X 301 -6.128 -2.506 -5.295 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 -5.648 3.114 -13.120 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 11.225 2.727 8.540 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 -9.738 -16.768 -8.460 1.00 0.00 SAM ATOM 3119 CA SAM X 301 -2.290 1.197 9.211 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 -15.028 -9.609 -3.089 1.00 0.00 SAM ATOM 3121 CB SAM X 301 0.295 9.480 -2.660 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 24.464 -28.971 10.410 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 0.028 4.377 3.509 1.00 0.00 SAM ATOM 3124 CG SAM X 301 6.726 0.347 3.688 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 2.197 -22.190 -8.124 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 19.068 4.380 -5.521 1.00 0.00 SAM ATOM 3127 SD SAM X 301 -1.312 -0.193 2.765 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 -1.506 5.267 -6.044 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 21.524 3.447 13.375 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 11.243 22.227 -19.201 1.00 0.00 SAM ATOM 3131 CE SAM X 301 -6.811 4.697 -8.361 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 -13.799 -14.997 -1.454 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 -11.858 3.690 5.636 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 0.058 18.968 4.437 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 6.393 -1.974 1.299 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 5.804 -9.728 -6.307 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 5.932 2.393 2.474 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 9.712 -8.934 7.461 1.00 0.00 SAM ATOM 3139 C SAM X 301 -0.436 0.732 -0.299 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 3.298 8.536 4.069 1.00 0.00 SAM O ATOM 3141 O SAM X 301 1.674 -1.221 -7.569 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 1.461 4.763 -4.831 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 13.200 -12.846 -0.891 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 11.116 10.651 10.075 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 2.798 -2.229 2.764 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 -4.491 5.971 12.577 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 7.428 2.593 -0.940 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 3.106 3.614 -7.617 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 -6.837 -6.350 13.123 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 5.360 7.214 -13.266 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 4.267 -2.178 -1.532 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 1.750 -10.034 -15.656 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 -10.777 -7.190 -12.886 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 -3.206 -4.191 2.423 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 2.265 -0.088 -0.397 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 -21.507 -23.659 -19.573 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 6.911 1.578 1.659 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 12.317 9.483 3.490 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 10.961 7.084 1.146 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 10.230 1.586 -0.809 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 6.883 -2.903 -7.925 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 9.416 8.065 3.834 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 -1.602 -2.289 -6.675 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 6.417 -5.208 -13.463 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 -2.534 5.774 -1.247 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 2.163 0.382 -2.800 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 -4.552 6.640 4.834 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 -1.849 13.401 7.436 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 -3.364 -2.401 -3.882 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 -2.001 7.499 -6.097 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 -8.252 -14.298 8.225 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 -0.211 -6.844 -2.019 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 -13.825 -18.436 -0.070 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 8.704 -5.242 9.033 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 -2.908 0.145 -2.036 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 -10.923 0.474 -6.965 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 -0.001 0.008 1.329 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 1.792 -1.795 2.078 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 -1.419 3.082 6.260 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 -12.621 8.974 14.649 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 -2.883 0.177 -1.037 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 8.726 -8.546 5.427 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 -14.066 -15.121 -21.861 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 1.110 -3.225 -7.240 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 -16.484 -13.715 -18.549 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 9.195 14.096 -24.127 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 -0.359 -3.557 -9.051 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 5.143 -4.587 -18.648 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 -9.536 -21.279 -3.772 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 3.544 4.498 -0.759 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 -4.697 8.006 22.807 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 -12.223 -16.971 -12.814 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 -6.551 -2.111 -4.952 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 -23.071 -18.273 -2.322 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 -4.325 7.691 14.250 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 -2.729 1.573 5.187 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 -5.832 -7.121 21.903 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 -12.066 -10.539 -5.269 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 0.147 -2.653 7.874 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 -1.368 7.356 -4.636 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 17.165 19.078 34.701 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 -3.261 -1.637 3.548 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 -11.998 -18.220 0.130 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 -13.157 26.779 -6.548 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 0.564 2.383 2.912 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 3.051 -9.784 0.168 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 4.507 0.008 7.650 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 1.189 -7.858 -2.502 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 6.707 6.485 -13.429 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 -1.844 -8.535 -1.172 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 8.255 0.978 3.914 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 -5.420 6.872 3.716 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 -4.674 4.840 -9.707 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 7.894 -5.669 2.206 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 -16.499 -0.641 -13.911 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 1.579 5.008 -5.115 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 0.164 -3.678 -1.495 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 2.016 -4.888 5.948 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 2.719 -3.033 -15.889 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 1.150 -5.959 -4.679 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 7.440 -10.727 -21.254 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 -10.872 -15.435 0.111 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 4.194 4.745 3.719 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 -8.593 -14.206 12.724 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 -6.296 28.570 19.502 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 3.850 1.188 -1.694 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 14.490 6.944 -10.358 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 0.766 -5.274 7.394 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 3.476 -0.022 -0.848 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 -17.940 -4.716 -14.959 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 2.242 8.532 -11.829 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 -0.349 -3.578 -1.995 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 -3.203 -1.801 1.417 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 0.052 -8.272 -0.418 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 -1.648 3.862 -2.010 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 1.315 10.486 -3.698 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 8.298 9.194 -11.034 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 2.762 3.212 -2.774 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 15.219 0.996 14.031 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 12.178 6.131 -0.481 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 -2.599 2.372 -1.598 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 -2.993 6.068 -11.836 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 -4.069 7.197 -7.080 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 -2.428 -5.421 1.919 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 -12.693 -2.958 0.006 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 -2.896 -12.807 1.546 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 -3.642 -0.088 2.840 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 9.714 14.702 11.727 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 -22.600 -1.082 1.526 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 4.068 4.145 6.000 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 3.151 4.103 -11.267 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 8.761 19.328 8.373 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 -4.674 5.554 -3.870 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 4.659 8.018 -22.496 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 -4.705 -21.641 15.872 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 5.633 2.693 -0.562 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 12.610 -2.277 -12.292 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 6.830 3.543 19.862 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 2.119 -3.419 3.873 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 -4.932 -9.768 26.588 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -0.757 0.572 -8.113 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 6.681 -1.128 2.472 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 -0.795 2.909 11.066 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 -0.265 -5.763 -3.872 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 -2.874 0.752 2.323 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 25.347 2.273 -2.850 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 24.440 -9.917 -1.857 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 -4.143 -4.825 3.101 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 9.862 8.589 -3.647 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 -3.905 -8.672 -22.338 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 2.836 -0.712 -3.894 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 -1.822 24.800 -7.460 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 6.139 14.553 3.957 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 -1.869 1.730 1.701 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 -8.507 -0.604 12.803 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 2.299 -4.605 -10.503 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 5.881 -0.900 6.568 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 -4.813 -6.127 -2.271 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 -9.037 -7.525 -1.023 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 -3.127 -8.077 -1.995 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 2.555 -5.143 3.073 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 -4.495 -9.181 -8.649 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 -0.648 -5.714 -0.364 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 18.585 7.912 -1.615 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 10.053 8.786 7.391 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 4.174 -2.765 -0.360 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 17.399 1.323 6.768 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 -24.005 2.238 10.700 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 -4.743 -5.232 4.103 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 -9.150 24.352 3.097 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 -8.341 -20.721 -13.594 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 3.315 -3.386 2.468 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 -0.431 -3.239 -1.702 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 3.322 8.553 2.732 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 0.812 -1.447 1.620 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 5.411 -9.248 -10.998 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 0.899 -1.864 6.335 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 -4.072 -2.403 0.951 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 -22.232 -7.687 -2.815 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 0.426 9.593 17.550 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 3.941 0.551 -0.505 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 2.164 20.667 -10.521 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 -3.695 -1.015 18.611 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 -5.395 -5.959 -3.731 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 -14.975 13.008 -2.218 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 9.276 -29.751 -5.578 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 -2.262 -1.817 5.082 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 1.810 1.290 2.966 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 0.680 0.735 5.387 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 10.268 1.057 1.219 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 14.101 -0.335 21.769 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 -7.616 -0.105 4.751 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 2.657 3.052 1.729 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 7.175 1.632 3.776 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 7.179 -0.388 4.579 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 3.107 -2.266 -0.275 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 9.538 8.040 2.624 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 -25.505 -3.333 -14.281 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 0.572 2.532 -0.294 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 27.758 4.436 1.052 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 10.138 -0.136 -1.965 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 -4.325 -4.994 4.986 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 -20.350 -3.371 -2.056 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 5.326 -0.731 -5.965 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 -3.809 4.508 0.850 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 -8.955 5.976 -18.740 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 21.320 -12.605 -22.035 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 -3.891 -2.565 -15.175 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 -9.571 -0.780 6.995 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 3.750 -2.479 -21.366 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 -0.020 8.576 -7.488 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 11.357 13.056 5.202 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 18.718 17.378 -5.784 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 1.849 0.050 1.961 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 10.558 5.691 -13.076 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 3.252 -7.603 6.226 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 -0.239 -5.379 -0.140 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 6.157 -18.211 6.687 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 -22.417 -0.216 -4.160 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 0.400 -5.846 4.969 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 0.734 -0.770 13.127 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 9.825 3.825 19.201 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 4.043 2.351 2.550 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 7.814 -13.172 16.555 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 -0.410 -4.585 -8.279 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 1.567 -6.699 -8.209 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 20.797 -6.156 0.625 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 13.965 2.484 4.216 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 -0.519 -2.615 -4.303 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 -2.492 0.967 5.301 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 -6.442 -0.824 -5.719 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 -4.300 1.112 0.144 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 -18.869 -1.928 -20.136 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 -1.700 -2.386 6.220 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 -3.351 -0.308 0.506 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 7.478 -5.246 -9.963 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 -4.404 10.390 -11.275 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 -0.083 2.742 -0.442 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 -2.547 -3.870 1.981 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 18.384 -3.468 12.334 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 2.380 -4.276 9.192 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 -15.982 -10.954 11.448 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 -2.509 6.524 21.943 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 1.423 5.828 1.114 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 6.905 3.958 4.835 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 26.706 11.992 7.113 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 -6.462 -5.750 3.481 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 5.733 -17.522 -7.243 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 -11.724 -0.709 12.048 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 -1.792 -4.075 5.248 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 -6.897 -4.575 -2.279 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 9.556 2.542 4.070 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 -3.138 -7.001 9.929 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 7.309 11.046 18.607 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 19.573 4.072 -18.651 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 -2.368 3.312 -8.371 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 26.931 7.429 2.022 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 -17.522 1.018 0.738 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 2.799 -1.106 3.118 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 -11.228 -8.976 21.727 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 -5.941 -5.820 0.610 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 -8.940 -4.989 5.152 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 -14.707 5.622 2.752 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 -9.003 2.594 28.310 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 -4.892 4.010 0.822 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 1.502 -6.931 -14.342 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 3.144 -4.255 -14.482 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 -9.744 4.288 8.256 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 -29.342 2.058 -4.780 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 -8.998 15.022 -0.212 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 0.732 -2.207 -3.229 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 4.683 -7.595 -1.487 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 8.926 -8.246 -7.549 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 1.216 -4.901 -1.558 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 6.202 -4.462 12.103 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 -5.762 11.453 15.061 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 -3.420 -0.988 -9.060 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 0.821 30.725 -5.528 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 4.408 13.919 1.021 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 -5.326 -5.528 2.635 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 -2.396 -3.897 2.592 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 0.836 -0.905 7.582 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 5.415 -4.176 -0.209 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 13.812 -0.198 6.853 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 4.289 4.386 -8.769 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 2.314 2.584 -2.382 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 1.498 1.387 -9.032 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 -9.655 -13.797 3.843 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 1.693 1.586 2.086 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 -2.270 6.829 4.498 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 -2.606 6.471 4.322 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 -6.896 0.731 -3.609 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 -1.941 4.479 -9.637 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 13.113 27.752 -31.447 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 -3.040 -0.904 1.237 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 -37.908 -11.154 5.525 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 -13.974 -18.930 8.811 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 0.029 -4.676 -8.006 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 8.424 -3.996 -11.932 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 -7.084 -3.674 -7.276 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 7.334 4.078 -0.853 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 -15.776 1.644 23.795 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 14.700 7.956 -2.225 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 3.716 4.876 1.526 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 -1.186 6.164 4.207 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 -26.289 10.085 18.714 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 6.590 -0.972 -0.016 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 11.694 0.422 1.103 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 3.026 5.393 7.795 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 3.429 -4.878 -0.790 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 6.992 -3.790 -2.501 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 -14.397 4.346 -2.056 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 -2.639 -2.727 -2.772 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 3.280 -2.659 2.309 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 -5.845 1.804 -3.524 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 1.402 2.897 1.336 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 6.297 0.887 7.932 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 -9.275 4.851 -2.418 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 -1.195 3.603 -6.504 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 17.960 -19.649 14.741 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 18.605 -4.576 19.021 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 -1.230 0.459 2.839 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 -1.075 -6.531 4.150 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 5.384 2.690 0.622 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 9.097 1.788 -2.578 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 18.153 1.912 11.809 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 20.330 -18.525 -28.832 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 -0.081 -0.225 -1.473 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 6.981 11.754 -3.629 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 6.695 -12.001 -1.618 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 0.418 3.352 0.407 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 10.638 21.155 -10.599 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 7.902 -3.658 9.548 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 -2.382 2.426 2.082 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 -7.680 12.401 12.806 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 1.197 -8.667 -1.096 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 -3.972 5.555 1.618 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 -0.600 9.087 -8.330 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 -1.968 8.571 -2.139 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 -0.696 6.939 -5.107 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 -4.738 0.696 -3.729 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 -1.469 24.941 -13.758 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 0.977 -1.967 1.248 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 2.839 14.666 12.044 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 -1.551 5.422 8.259 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 -2.896 -0.845 -2.260 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 -12.002 2.475 -3.558 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 -3.025 -6.522 -7.192 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 -5.174 -3.790 0.728 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 -6.937 -0.218 11.750 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 -9.250 2.516 -18.423 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 1.375 1.071 -0.882 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 -8.579 3.638 2.331 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 -7.326 3.286 1.513 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 -5.164 -3.718 -2.953 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 10.816 1.929 10.234 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 -3.812 1.546 -1.357 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 3.659 -0.714 4.157 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 -5.768 2.488 0.543 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 19.859 -6.602 9.151 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 -4.347 -1.260 0.641 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 -2.077 0.717 14.487 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 0.024 -12.631 10.695 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 0.367 -0.478 4.993 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 -16.991 -6.505 -4.223 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 -9.583 -7.297 14.997 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 -3.829 3.500 -0.450 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 11.755 -17.001 17.131 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 6.653 0.805 -26.399 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 -2.387 -4.875 1.668 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 2.188 -3.956 14.996 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 -3.547 8.154 -3.173 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 2.353 3.618 0.333 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 18.165 11.162 -6.034 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 -8.007 21.513 9.507 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 3.754 -9.074 0.050 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 -8.016 -4.242 2.777 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 12.975 -3.942 -0.028 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 7.510 -1.679 0.733 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 14.750 -12.738 15.093 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 -35.369 5.431 -9.904 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 1.952 2.396 -4.026 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 -15.605 -15.440 -3.593 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 21.374 -3.644 -8.292 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 2.345 2.906 2.816 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 8.143 6.110 -6.184 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 6.484 7.375 -5.746 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 3.135 -6.729 4.987 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 14.806 -5.406 0.852 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 -12.340 -10.222 10.505 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 1.235 -1.284 0.971 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 -3.008 11.498 -17.848 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 -0.959 6.087 -7.468 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 1.816 -4.847 -1.388 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 -5.313 -0.133 -10.228 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 -2.774 -0.369 0.412 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 0.107 3.635 0.572 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 33.327 -19.610 10.017 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 3.334 0.253 -1.106 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 -2.142 0.250 1.884 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 7.490 -10.818 -4.023 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 6.350 16.538 3.655 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 -1.499 1.543 -0.366 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 1.447 3.030 6.336 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 9.146 -10.456 -8.400 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 3.212 7.393 -6.518 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 -4.275 -11.108 3.249 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 -5.248 7.904 -1.364 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 3.722 7.807 -2.222 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 25.712 7.287 1.347 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 3.429 -23.614 -13.889 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 1.818 -0.803 6.710 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 5.078 -10.047 8.012 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 17.763 -24.384 1.164 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 2.342 -1.688 -1.969 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 4.006 -18.346 -2.419 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 -5.728 -8.087 -19.587 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 0.720 -2.125 8.368 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 3.382 -1.710 -18.438 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 5.556 -2.244 8.817 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 -5.296 -1.787 3.661 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 -8.222 -9.432 1.639 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 1.514 -6.710 -6.687 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 0.925 0.260 5.609 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 22.920 6.495 -9.146 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 -10.225 8.902 -15.098 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 -3.150 1.386 0.656 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 18.768 -8.291 -7.027 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 -22.181 -11.926 -10.110 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 -0.509 1.088 3.745 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 -3.486 -9.220 12.805 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 2.338 4.222 10.521 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 0.023 -2.844 0.353 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 2.607 7.472 -11.981 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 -16.505 -4.315 5.588 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 -2.117 3.826 -3.016 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 -14.073 -13.031 5.087 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 9.761 2.655 -14.834 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 -3.517 0.782 -1.183 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 -14.613 -3.600 -11.584 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 1.303 3.052 13.892 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 -1.405 -7.283 -0.895 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 -8.111 -11.484 -4.677 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 2.005 -7.531 0.266 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 -3.279 8.419 -0.367 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 -10.399 6.759 7.591 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 -3.509 12.375 -12.176 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 0.235 6.047 1.569 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 10.939 0.425 1.660 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 28.304 -9.072 1.398 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 0.234 -1.477 3.944 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 12.451 7.128 15.039 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 -13.058 -9.941 -9.507 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 -3.645 0.095 0.165 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 -20.312 6.928 -5.721 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 -8.198 -0.141 -2.005 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 -0.549 2.698 0.471 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 0.632 -24.555 38.649 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 17.024 -16.885 13.146 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 -5.344 -3.088 0.214 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 -2.031 -3.506 -12.713 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 0.756 12.731 21.222 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 0.066 -7.002 0.033 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 11.801 -11.013 -6.001 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 -18.463 -5.548 -2.055 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 -0.434 1.067 4.140 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 -2.303 0.389 5.149 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 -2.703 -0.786 6.306 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 -5.645 0.982 -0.968 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 -4.529 0.182 -3.293 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 -15.344 13.758 -6.847 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 -0.055 -3.314 -2.291 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 -14.026 -16.906 16.937 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 -11.541 -16.319 -21.330 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 0.260 0.960 -0.476 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 -2.906 32.207 1.228 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 14.045 1.579 -5.670 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 3.041 9.109 1.856 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 8.994 1.437 -12.950 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 -11.771 7.083 -4.541 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 -0.789 0.510 -6.212 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 -18.661 8.783 7.966 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 14.837 13.427 -2.896 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 -0.502 6.515 1.091 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 -10.645 -12.818 5.593 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 28.156 -2.840 6.365 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 2.328 0.390 0.606 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 -5.394 -15.828 4.185 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 -9.283 -25.530 5.678 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 -2.787 -2.297 6.476 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 -24.722 -0.634 7.656 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 -3.982 -5.721 19.342 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 2.028 4.206 -5.938 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 -6.875 -5.445 -27.024 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 6.545 20.477 0.273 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 -7.194 -5.394 3.074 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 0.110 -10.783 -0.841 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 -2.027 -2.116 11.805 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 -3.435 4.720 -6.382 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 -2.935 9.525 -4.537 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 7.785 -4.980 -5.527 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 -1.116 -0.053 -3.941 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 10.499 -5.084 7.683 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 -10.064 -15.808 -7.385 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 1.102 4.770 5.235 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 -2.652 4.498 5.925 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 3.403 22.160 -16.455 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 0.235 -4.904 3.388 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 5.156 20.262 23.516 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 1.534 7.493 8.879 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 4.417 4.603 -0.398 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 -15.382 15.450 -13.852 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 -4.972 -19.828 1.757 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 -2.976 3.653 -4.436 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 -17.082 11.193 -18.318 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 12.965 -5.270 13.625 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 0.483 0.627 -0.978 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 -41.461 -11.638 -2.118 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 -32.447 3.261 11.625 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 0.024 1.716 0.607 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 4.580 11.039 16.757 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 -4.785 -11.249 -6.993 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 -3.527 7.182 5.752 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 3.073 4.960 8.176 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 -1.508 12.751 0.402 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 4.239 -0.848 -4.432 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 -11.105 -1.383 -12.162 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 34.086 -5.118 -0.617 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 4.243 2.319 -1.375 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 17.827 1.300 -16.418 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 -15.639 -0.822 21.945 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 -1.314 3.384 -1.344 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 0.652 -8.142 28.420 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 23.827 2.301 -13.984 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 2.481 5.912 -2.224 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 2.085 6.120 13.171 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 -12.964 11.761 -1.538 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 0.155 7.973 -4.012 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 30.081 8.835 -17.217 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 27.048 19.212 1.218 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 6.411 2.465 3.528 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 23.044 -8.866 -3.126 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 6.993 7.425 8.111 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 3.328 -0.164 -0.798 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 6.855 10.641 0.235 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 -9.198 2.302 3.027 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 2.786 -2.343 1.389 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 -16.571 -12.225 -19.668 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 14.045 -5.971 12.264 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 1.832 3.631 -0.292 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 4.599 6.586 3.313 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 -9.896 -8.507 -2.550 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 1.329 -5.886 -5.103 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 0.809 -6.651 9.449 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 11.677 -17.772 -11.508 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 1.599 -7.310 -3.732 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 14.230 -6.375 -13.766 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 7.586 -3.032 9.875 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 3.303 -1.456 2.940 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 4.282 6.658 -0.043 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 -0.755 -0.913 2.965 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 -5.671 2.229 -1.903 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 -24.151 -8.899 -30.490 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 6.546 -21.078 -2.968 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 1.884 0.324 0.346 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 -20.774 -35.490 6.107 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 0.544 15.296 31.003 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 -0.704 2.032 2.309 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 9.687 10.025 16.192 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 0.534 -9.384 0.860 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 -0.026 6.819 -0.826 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 5.443 0.717 16.377 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 -14.848 -4.327 8.826 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 -1.996 0.429 -4.802 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 3.869 3.818 -9.352 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 5.399 3.990 0.872 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 6.920 -2.470 -1.195 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 6.649 14.000 -24.310 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 19.872 24.084 -2.638 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 -1.900 -3.391 -6.102 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 1.241 -0.439 -6.357 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 4.373 28.934 -6.703 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 -1.817 3.549 -0.574 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 1.551 -4.675 -29.622 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 11.505 29.704 -1.138 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 -2.368 1.870 1.893 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 -8.638 6.349 2.349 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 5.135 2.406 3.666 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 0.961 -6.097 -5.862 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 -4.809 6.088 1.205 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 -5.539 9.400 1.840 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 -0.774 -0.301 1.582 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 -11.165 4.315 7.887 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 -5.061 0.186 2.223 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 0.682 2.402 -0.943 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 11.247 13.227 -5.463 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 21.931 -21.976 -15.899 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 0.170 0.258 -6.857 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 13.917 7.883 -7.268 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 -2.702 -11.126 -1.889 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 -3.031 -0.417 -3.537 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 4.610 -0.934 -2.844 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 4.327 0.187 -4.105 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 0.070 2.771 0.136 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 -2.150 -3.991 -40.426 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 -5.639 -1.563 -5.548 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 -8.025 -1.803 -1.906 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 11.373 -25.292 16.423 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 2.721 -20.524 13.467 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 -2.072 -1.267 -2.697 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 13.715 -8.128 -6.947 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 9.760 10.278 4.700 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 -4.282 -7.379 0.765 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 -14.011 14.027 -19.999 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 13.048 -0.821 -9.055 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 -1.349 -1.226 -1.474 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 4.698 -14.052 21.326 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 17.171 -16.682 9.709 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 3.244 -0.931 -1.254 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 -2.936 -13.551 0.562 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 11.060 12.541 -5.322 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 8.760 -3.627 4.547 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 10.192 -5.538 -10.421 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 20.125 -2.304 6.204 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 2.884 8.066 0.153 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 5.266 6.718 -7.351 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 3.021 6.230 -15.656 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 1.289 0.228 1.307 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 -11.561 -3.185 3.514 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 8.637 -0.598 11.201 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 0.318 2.611 -3.099 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 0.666 -0.105 -4.955 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 -3.899 1.263 2.956 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 3.926 -2.177 3.815 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 5.322 -6.412 -0.101 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 -18.604 -3.787 -0.381 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 0.146 3.341 3.317 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 0.823 10.607 5.032 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 0.584 9.870 5.256 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 -5.568 3.854 7.500 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 20.463 -3.812 11.724 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 20.596 -26.400 -1.134 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 -3.684 3.116 -1.180 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 11.569 -10.180 8.288 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 -17.250 23.616 -10.054 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 -9.247 -0.255 2.914 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 6.490 -9.771 11.798 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 -8.521 -0.600 3.309 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 -2.409 -0.586 -4.379 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 -3.194 -3.801 -1.749 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 -3.120 10.581 -0.938 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 5.975 -7.064 0.482 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 31.715 9.156 -4.295 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 8.605 3.544 11.513 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 -3.605 1.071 -4.601 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 -16.959 -21.203 -6.282 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 7.300 12.749 0.452 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 -0.660 0.915 4.027 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 -2.062 12.948 -0.279 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 -0.295 -6.231 -5.939 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 1.134 -1.975 5.136 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 -33.836 10.631 7.646 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 -22.167 0.501 11.221 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 1.613 0.298 1.823 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 -23.933 -3.614 1.579 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 11.073 -8.912 -14.872 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 -6.941 2.675 -1.194 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 9.546 3.766 -21.201 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 1.044 -21.527 31.322 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 2.297 -6.112 -1.924 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 2.191 1.957 -9.115 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 -6.052 6.537 -2.194 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 1.983 -0.644 -0.612 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 -17.103 18.026 -12.298 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 4.245 -1.666 2.233 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 -2.101 -10.049 -2.128 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 12.868 -17.287 -15.979 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 4.061 -15.802 -0.666 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 2.073 2.277 -3.457 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 -6.103 5.266 -1.524 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 -0.114 2.423 -10.097 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 6.619 4.664 -4.489 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 25.284 9.128 -20.891 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 0.106 15.834 -14.965 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 2.281 0.969 -0.612 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 27.756 3.775 -29.115 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 -13.311 -5.074 -6.000 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 -5.245 -5.027 -3.588 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 12.920 -4.884 -4.505 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 17.513 2.432 2.355 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 2.253 3.185 -0.989 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 -32.414 12.585 8.212 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 -11.283 -17.636 -1.846 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 2.037 2.038 5.409 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 -22.308 8.969 -9.339 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 -10.185 5.249 -5.431 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 4.033 -3.297 -4.810 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 -8.984 -15.120 -6.044 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 9.314 1.345 -19.495 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 0.604 -2.511 -10.061 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 -8.279 -4.568 -13.698 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 9.346 -0.590 -3.319 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 -5.781 -4.317 -0.492 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 0.057 8.827 -8.648 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 11.522 27.672 -24.412 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 1.933 -0.006 2.941 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 32.362 12.217 -5.052 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 -1.867 -15.866 -17.202 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 3.025 0.635 7.913 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 -5.851 -22.735 -1.021 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 28.667 -0.912 3.489 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 -8.524 5.191 -5.714 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 -10.827 -9.458 -24.458 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 -15.298 13.617 -7.328 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 2.157 -1.723 -2.963 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 3.814 -9.218 23.824 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 0.553 -6.119 -4.104 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 -4.479 3.301 -0.494 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 -7.883 19.857 -11.067 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 -5.833 11.780 -4.472 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 2.829 -6.502 -2.611 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 2.566 -9.874 0.902 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 23.274 20.215 6.853 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 4.627 0.436 2.653 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 1.587 -15.999 -20.796 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 7.677 -1.375 5.639 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 3.033 -5.961 3.776 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 -7.326 0.590 14.499 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 -4.025 -5.606 -10.259 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 -0.525 -6.643 10.276 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 -8.612 5.232 23.118 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 -4.543 -0.762 14.779 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 1.671 -0.516 -3.892 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 15.711 17.921 5.918 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 8.544 3.235 5.281 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 2.880 0.373 -6.180 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 9.587 14.620 8.684 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 1.611 -14.429 -24.386 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 2.400 -1.427 0.155 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 -6.044 -11.942 -1.778 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 -7.235 3.734 -6.123 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 -1.921 1.479 3.949 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 6.498 0.559 -1.905 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 -7.476 9.066 -15.838 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 2.538 -5.238 -3.736 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 12.090 13.748 -15.946 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 -22.040 6.107 7.867 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 -2.181 2.557 0.897 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 3.819 23.155 -10.830 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 15.072 29.930 0.368 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 -2.751 -1.605 -5.922 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 -4.926 -10.729 -3.107 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 -2.633 2.156 -0.019 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 -1.690 1.296 -5.809 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 -3.698 -14.154 -17.054 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 -10.757 25.819 5.028 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 -2.659 -0.642 -2.383 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 -1.486 12.272 -12.054 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 -11.388 -21.745 16.478 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 -2.308 1.655 2.527 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 14.280 -20.067 17.885 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 -9.967 -16.976 0.874 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 0.352 -1.650 -5.212 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 14.626 4.351 -29.741 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 -12.674 -15.812 -1.267 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 -2.169 -2.531 3.902 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 -3.947 1.749 -2.158 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 -6.851 -7.001 4.087 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 -1.039 -6.465 2.907 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 31.821 -7.036 -3.184 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 19.429 -19.055 -17.009 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 1.824 -1.811 -0.225 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 -4.743 -4.626 -12.349 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 1.147 7.551 24.674 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 -1.841 0.487 -0.348 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 -0.804 1.895 -0.909 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 -16.378 -25.820 9.700 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 1.442 3.131 -3.913 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 -11.269 12.051 -3.285 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 10.480 6.655 9.530 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 4.884 5.055 4.198 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 7.459 -6.134 1.550 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 7.093 6.792 2.068 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 -2.070 4.105 0.157 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 -8.327 -16.762 -8.732 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 3.477 -1.819 -3.404 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 -0.172 4.358 3.748 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 3.619 -1.711 9.865 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 14.997 -5.118 7.641 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 -0.547 -3.142 2.005 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 5.573 -2.094 21.139 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 8.512 -5.315 5.126 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 -5.228 -1.492 -3.525 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 -9.192 -4.348 -4.068 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 -9.108 -12.034 -15.051 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 -1.428 -2.152 1.450 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 15.646 -24.272 0.987 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 2.872 -18.513 26.175 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 5.551 6.294 0.869 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 -3.889 5.118 7.686 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 1.820 8.158 -3.091 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 2.213 -0.993 5.571 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 4.385 10.651 -0.140 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 2.766 -0.406 6.673 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 -2.987 -2.881 -2.503 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 -6.206 -5.661 -7.018 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 0.884 3.799 8.066 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 -0.571 7.121 0.088 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 -2.132 5.647 0.318 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 13.417 0.833 11.803 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 -0.953 -0.958 0.390 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 7.359 14.537 -0.815 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 -4.345 5.224 16.753 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 2.654 2.014 4.784 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 13.322 7.482 -1.059 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 -20.056 -0.612 4.680 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 -4.832 2.909 -4.964 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 -9.869 20.808 -5.086 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 3.224 -4.243 -8.458 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 -3.009 -0.924 -0.960 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 33.467 -14.688 16.708 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 1.185 -5.140 3.143 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 -3.092 3.426 -0.606 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 1.476 -6.329 -14.555 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 5.980 23.438 3.999 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 1.504 4.162 3.089 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 12.773 6.204 -1.731 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 -7.588 -7.782 -0.632 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 -0.776 1.258 -2.482 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 -5.200 -20.733 -18.863 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 9.964 -16.073 0.750 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 -7.523 -5.240 -2.433 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 -12.770 26.609 2.317 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 5.752 11.946 -9.768 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 1.390 3.694 5.502 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 4.499 -2.361 9.395 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 -1.659 0.831 -1.823 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 -9.479 5.011 -5.271 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 -6.920 11.664 -6.098 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 -25.851 0.574 -9.403 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 -2.765 1.795 3.222 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 -3.049 9.269 2.610 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 3.803 14.633 -3.131 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 0.219 -1.834 -2.523 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 7.635 19.334 7.483 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 9.042 10.603 -0.752 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 0.703 -5.163 -1.538 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 13.706 12.686 4.299 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 -15.750 3.966 -13.455 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 0.283 2.094 4.126 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 12.592 -4.657 -6.648 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 -11.066 -4.547 -9.553 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 4.336 -2.738 -2.309 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 8.403 4.763 -13.247 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 17.292 -4.063 3.719 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 -0.530 -0.852 4.312 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 -17.809 7.093 -3.697 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 -13.719 -1.428 -17.569 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 1.267 4.260 -3.669 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 6.438 10.129 -1.731 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 -4.916 -4.033 2.830 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 1.437 -1.311 -1.612 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 -0.472 15.215 4.047 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 2.196 -13.873 -3.943 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 -0.035 5.169 -6.373 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 -1.106 -1.235 -11.159 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 9.622 -3.985 -15.286 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 -0.939 -3.992 -2.403 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 -2.652 2.905 -17.514 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 38.118 18.521 8.684 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 0.237 3.732 2.326 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 -10.680 1.636 -9.204 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 -5.435 0.832 16.406 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 -4.334 0.660 -0.914 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 12.918 -14.465 5.462 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 6.835 -7.140 8.674 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 1.007 5.640 0.637 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 -14.129 0.365 -1.781 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 1.507 10.761 -8.865 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 -5.721 -1.933 2.855 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 -1.082 -1.927 3.695 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 -15.326 3.125 -0.988 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 2.978 0.518 4.810 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 15.824 -9.647 -9.209 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 -14.763 1.735 7.311 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 0.576 -1.528 -1.814 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 0.566 1.304 11.568 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 -4.787 12.217 -8.303 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 -2.303 2.648 1.048 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 2.358 12.783 5.516 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 4.913 10.035 0.886 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 1.497 -1.450 -2.458 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 -7.332 -14.744 -17.392 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 -0.564 16.145 -22.519 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 -1.064 0.618 -3.373 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 -10.151 -6.031 -14.396 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 -1.185 -11.909 -9.666 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 7.127 5.483 3.156 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 -2.486 12.184 13.833 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 -7.206 15.117 17.517 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 -0.497 2.558 -7.204 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 2.918 0.309 -6.220 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 -9.629 -28.849 0.174 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 4.153 1.940 3.003 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 -1.051 19.721 -18.435 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 6.157 20.715 7.666 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 2.359 -3.727 -0.249 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 14.683 -11.869 18.494 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 -20.722 -5.395 -18.175 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 2.140 -9.137 -1.855 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 -3.428 -10.795 7.095 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 6.485 -7.459 5.748 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 -1.765 4.412 3.268 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 -7.003 9.446 12.760 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 -2.361 -0.062 -0.886 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 -1.096 -1.380 -6.865 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 22.670 -2.524 -4.500 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 -7.352 -2.590 -11.496 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 -1.971 -1.135 7.718 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 2.089 -17.686 23.973 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 -1.089 20.706 2.486 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 0.583 0.133 3.494 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 -23.722 -35.122 4.375 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 -2.465 -3.008 11.903 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 -2.826 3.026 -2.721 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 0.401 -8.266 -8.439 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 16.119 -4.313 -11.183 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 -0.002 -5.587 -2.604 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 20.351 -1.718 -11.081 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 -0.936 14.986 -8.293 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 -1.027 -0.393 -1.043 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 1.508 1.700 -5.298 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 9.306 15.991 -4.441 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 4.229 8.723 3.767 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 0.594 6.014 7.135 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 -2.240 12.573 -2.604 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 0.472 2.549 -3.002 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 5.583 10.774 13.589 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 10.796 7.984 2.733 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 -0.648 -0.084 4.319 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 -9.099 5.691 5.077 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 -11.826 22.214 -2.047 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 1.141 -5.469 4.406 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 -7.278 -15.120 10.755 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 -12.959 5.252 4.964 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 4.592 1.681 7.632 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 4.811 -2.435 11.614 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 3.835 -3.426 3.232 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 -5.264 -2.693 0.432 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 -1.828 0.998 -0.576 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 1.827 4.721 0.115 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 6.444 0.393 -4.891 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 15.783 10.041 1.703 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 14.573 3.241 -7.460 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 -2.148 -1.959 2.846 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 0.813 4.891 8.460 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 -11.679 -2.796 7.784 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 -3.114 0.224 -5.089 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 4.874 6.556 13.793 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 -2.972 14.772 -28.573 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 -10.201 -2.921 4.954 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 -10.959 8.608 7.202 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 -13.721 -4.399 -6.247 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 3.116 2.346 -3.218 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 3.436 -3.321 -11.839 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 4.296 3.798 -12.893 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 5.042 -4.119 -1.261 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 13.990 1.485 11.035 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 12.472 -9.219 10.483 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 -2.291 -2.811 0.652 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 -0.042 -5.717 1.464 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 -8.382 1.942 -5.375 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 -1.371 -5.325 3.045 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 -2.106 -2.699 0.556 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 -9.424 -2.300 12.976 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 0.269 -4.254 -5.143 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 9.432 4.570 -13.939 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 9.914 -14.891 -0.499 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 -0.714 1.055 2.692 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 11.525 -26.121 -21.669 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 -3.148 -9.379 28.445 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 -1.413 -1.076 7.446 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 -11.193 -11.651 14.631 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 -9.813 -9.533 4.179 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 4.178 8.747 -0.035 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 2.425 12.137 10.334 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 -8.825 -17.324 15.314 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 3.157 3.825 5.336 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 7.311 8.189 12.046 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 6.823 10.918 -11.529 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 0.837 -4.724 -2.219 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 2.161 -14.541 11.789 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 -2.306 0.828 16.592 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 -0.135 -1.465 -5.618 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 9.066 17.820 12.356 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 8.822 -28.371 -8.630 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 2.564 -4.195 11.428 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 0.514 -26.346 18.791 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 -7.488 5.570 12.078 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 -5.152 -5.425 0.836 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 5.749 -12.137 -3.570 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 -12.530 -16.727 -6.754 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 4.963 0.350 1.580 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 -2.763 -2.704 -14.994 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 16.336 14.854 -1.591 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 -6.436 -1.157 -1.371 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 -16.432 0.921 4.665 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 -40.982 6.605 20.246 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 -0.439 -5.615 -0.184 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 11.362 10.969 17.235 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 2.061 -14.681 -8.576 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 -3.040 -2.292 3.473 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 8.108 2.773 19.477 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 2.962 -2.116 11.350 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 3.096 1.628 4.753 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 -4.929 16.615 6.186 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 -10.204 9.709 7.572 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 -3.877 -2.451 -6.780 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 -15.787 1.969 3.954 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 14.572 2.664 5.256 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 9.218 4.442 -1.700 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 34.957 8.641 -16.687 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 -2.662 11.801 -22.413 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 -0.175 -1.892 -7.429 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 5.480 -3.884 0.458 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 7.221 0.345 -13.561 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 0.609 -11.397 2.815 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 -16.368 -2.316 -2.774 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 4.289 -12.369 9.255 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 2.436 -3.068 1.648 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 21.627 -4.894 -10.764 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 -0.488 -23.209 11.094 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 -2.595 -3.000 -3.861 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 0.803 -4.450 -4.040 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 10.168 5.293 -5.845 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 2.637 -5.278 3.892 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 12.275 -5.323 8.092 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 8.729 -7.464 -32.196 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 -4.724 -1.524 -4.424 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 -18.853 9.880 4.891 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 2.671 14.909 -11.292 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 -3.908 5.431 -3.176 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 -18.343 19.038 -8.409 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 -18.978 6.151 -1.948 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 -1.962 -0.334 -1.350 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 -11.834 -12.668 -16.702 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 -9.506 11.594 -23.575 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 2.893 -3.571 6.589 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 -9.335 11.524 12.399 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 -12.224 5.011 -16.732 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 -0.177 1.254 -1.740 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 6.728 18.520 11.299 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 27.373 5.285 7.438 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 1.538 -4.164 -1.287 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 -17.674 -22.048 -10.079 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 16.342 -17.849 1.363 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 0.812 3.561 -0.151 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 8.770 0.180 9.408 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 11.649 10.694 6.034 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 1.793 3.027 1.436 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 -3.275 3.862 -2.671 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 -9.259 8.764 20.183 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 -2.871 0.071 -7.598 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 -6.446 -1.054 -11.071 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 -3.483 5.914 21.666 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 0.849 -1.873 6.738 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 -1.469 17.192 2.969 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 19.273 -9.756 18.936 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 -2.508 3.640 0.404 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 -12.289 -16.078 -16.111 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 7.136 12.552 19.339 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 7.834 1.104 1.539 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 16.461 0.675 2.683 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 -15.957 5.040 12.783 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 10.907 4.875 4.219 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 -14.247 -14.549 -7.243 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 -0.303 2.014 6.703 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 -3.110 -0.536 1.691 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 -1.942 -17.629 -2.818 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 -1.744 17.779 0.804 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 2.742 -1.793 -2.675 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 16.196 0.688 18.169 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 38.487 -17.219 -6.825 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 1.724 -6.226 -5.548 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 13.551 -4.076 -27.937 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 0.719 -24.532 11.653 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 -6.615 -5.035 1.429 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 -28.734 4.358 -13.387 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 -12.991 4.150 -0.144 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 -6.768 -8.103 -2.487 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 -10.600 22.256 -1.253 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 -1.720 -35.351 -3.826 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 7.440 -2.018 -0.859 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 19.109 -11.229 12.539 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 14.767 -2.123 1.638 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 -1.071 1.508 -4.711 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 11.781 -5.621 -9.856 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 -4.961 3.427 -5.658 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 -1.937 2.088 4.219 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 7.659 12.192 7.432 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 12.955 5.078 1.169 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 1.373 3.265 -1.176 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 -0.294 3.879 -0.455 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 2.987 4.410 -2.959 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 -1.034 -2.456 -3.760 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 7.566 -0.406 -0.207 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 7.325 5.715 -4.066 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 -0.921 -1.489 0.584 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 -6.934 5.951 -10.311 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 -7.896 -4.132 20.068 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 -6.110 -7.314 0.444 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 6.684 -5.619 -4.801 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 18.952 18.595 -6.470 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 -6.149 4.622 -2.656 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 25.800 3.247 3.929 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 -12.940 17.430 9.848 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 0.572 3.086 -2.257 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 3.175 9.759 3.159 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 -4.960 -7.032 -14.401 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 -0.070 -6.070 -3.840 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 5.826 0.364 -23.360 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 -1.237 -0.229 -26.220 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 2.840 -1.567 6.396 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 -8.081 -4.046 5.534 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 1.071 0.387 -7.238 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 4.655 -0.592 3.798 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 14.973 21.942 -21.063 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 -11.978 1.949 5.936 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 1.128 0.670 -6.537 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 12.176 -11.314 -12.321 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 3.029 20.590 -15.235 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 0.774 -4.067 3.565 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 4.409 6.736 11.042 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 13.018 24.048 4.085 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 1.687 -2.916 -3.742 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 -10.036 -3.113 12.190 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 -13.526 -12.209 5.029 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 5.963 2.393 -1.783 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 8.815 3.395 7.696 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 -2.139 4.786 0.573 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 -0.109 0.222 -3.015 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 -10.797 12.612 7.008 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 -18.631 -6.663 -25.309 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 8.512 3.722 9.386 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 1.465 12.462 3.218 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 2.245 10.834 11.747 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 -1.383 -5.921 -5.071 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 -2.591 -11.079 1.849 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 -13.027 4.187 -14.323 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 3.741 4.722 -1.313 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 11.339 -6.321 -5.692 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 3.530 -23.071 10.102 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 3.693 3.958 -4.625 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 28.458 11.754 -5.075 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 19.344 -6.004 -7.668 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 -1.322 -3.462 0.810 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 5.080 -3.558 2.049 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 8.462 3.139 -11.390 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 -5.134 -7.442 -4.403 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 12.483 2.617 -2.197 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 -1.820 -8.666 -12.323 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 4.205 1.162 4.663 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 -2.732 9.917 13.444 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 1.408 -7.973 -7.048 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 -0.416 3.091 3.532 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 -13.671 -4.454 3.395 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 29.875 2.024 -19.133 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 2.693 -4.495 -2.203 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 4.497 6.998 -7.111 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 -23.500 12.555 -2.728 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 -4.711 -1.393 5.566 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 -9.085 5.960 21.088 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 -15.569 4.309 -3.206 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 -0.489 3.287 -6.758 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 -5.711 -11.391 6.011 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 -8.023 6.015 -35.996 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 1.528 -0.194 2.264 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 -7.065 -9.858 2.250 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 -29.534 3.503 -1.533 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 -5.409 2.176 1.335 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 2.079 1.798 -10.701 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 -18.204 0.688 13.590 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 -2.531 -0.191 3.424 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 14.067 3.485 9.976 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 36.575 -2.979 -20.372 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 3.979 -4.458 0.239 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 -6.304 -4.108 12.347 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 -0.061 11.224 -6.337 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 3.996 2.248 -0.777 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 -3.274 4.630 1.960 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 11.378 14.570 9.797 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 3.908 6.809 2.218 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 1.321 12.609 -4.482 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 -4.917 3.731 -10.097 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 5.365 0.187 -0.825 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 6.766 13.354 1.858 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 6.096 4.821 0.005 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 -4.912 -4.576 -7.251 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 7.283 -7.429 8.708 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 9.985 -14.061 35.934 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 1.760 -1.893 3.625 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 3.309 -6.484 10.660 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 -24.227 11.993 3.060 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 -3.578 1.207 9.071 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 -8.266 19.363 -9.121 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 0.989 -11.135 13.015 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 -6.819 -0.180 -1.105 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 -14.577 14.404 -13.698 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 11.578 0.092 1.054 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 -2.210 0.484 -7.205 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 -10.796 -31.116 -25.051 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 -9.444 -6.859 -27.891 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 10.242 -2.318 -6.214 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 -12.036 7.460 21.711 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 8.090 -0.978 13.428 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 0.924 -3.399 3.985 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 -0.415 4.598 12.933 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 3.854 2.675 0.511 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 1.146 6.183 1.255 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 -0.049 -12.059 12.324 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 6.874 3.461 12.625 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 2.417 2.011 -4.937 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 -19.287 12.906 8.355 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 22.968 10.761 10.821 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 -0.009 -1.203 -0.836 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 6.156 11.882 -1.676 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 -4.303 -6.959 4.113 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 -5.632 -1.354 0.980 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 4.720 -16.804 4.844 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 -17.545 7.780 -1.158 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 -3.165 -4.888 -3.385 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 -18.178 -7.361 0.458 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 -8.713 2.122 -6.146 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 6.204 -2.375 3.411 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 13.074 -8.597 2.694 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 1.902 7.672 15.189 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 7.228 6.917 -0.627 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 6.359 13.942 3.618 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 9.748 5.716 -8.527 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 0.156 7.503 -2.670 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 4.613 4.872 -11.678 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 -2.538 -1.555 -3.806 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 -4.654 -3.350 4.032 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 -8.621 1.695 5.379 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 -9.720 -5.774 1.127 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 -0.499 0.527 -1.029 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 -6.749 -18.689 -13.773 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 -8.367 -9.418 15.770 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 -3.637 -1.254 7.709 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 -12.856 6.154 9.993 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 -3.664 -7.434 0.618 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 -2.255 0.315 2.928 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 4.741 -7.108 17.014 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 -6.002 -12.589 -14.565 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 6.584 -0.105 3.082 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 4.103 36.220 -21.647 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 -5.610 -9.787 -5.963 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 -0.992 9.152 -3.183 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 -6.236 -9.974 -0.274 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 0.956 27.293 -5.058 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 2.369 -4.558 -3.340 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 -20.803 -14.146 12.465 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 1.953 -0.166 -0.535 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 -8.471 4.736 -1.391 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 -6.548 0.737 -3.442 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 -6.346 10.979 4.472 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 2.746 -6.524 0.031 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 3.581 -6.201 2.863 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 -4.556 -13.080 -1.559 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 -1.215 -1.148 -1.794 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 1.426 -5.643 -1.156 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 30.316 -1.463 -7.685 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 1.446 -5.458 -5.974 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 -0.654 17.009 -14.334 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 -3.463 -24.606 3.338 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 -5.657 1.442 0.941 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 -10.667 -0.465 5.703 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 -10.020 -4.532 -4.715 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 3.472 2.111 1.003 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 -12.634 -26.877 2.818 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 11.867 13.421 -8.440 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 1.068 7.658 -2.214 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 18.504 17.083 -6.590 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 8.406 0.483 9.060 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 2.605 -4.085 -0.078 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 -3.860 -23.545 -5.317 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 21.261 -10.359 11.311 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 3.046 -5.239 4.376 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 3.051 3.017 -6.706 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 -0.897 -2.424 10.856 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 -0.939 1.597 3.326 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 -10.459 0.305 1.558 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 -2.240 8.732 -3.616 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 3.408 2.182 -1.272 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 -1.908 -2.656 7.790 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 18.488 27.636 -6.294 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 -2.127 5.253 -3.669 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 -2.853 4.633 -1.786 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 -24.510 4.742 10.861 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 -12.023 -6.480 -1.168 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 -16.365 -14.909 0.863 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 15.623 7.104 3.710 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 -1.198 0.506 -4.661 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 -26.322 -21.475 -20.079 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 -3.214 -9.847 -10.187 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 -5.484 4.441 -6.830 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 -8.860 -3.737 -24.318 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 7.264 -7.629 0.969 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 4.597 -3.436 -0.576 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 -13.956 -9.346 -13.304 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 -20.214 -16.244 -10.359 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 0.143 -4.194 1.698 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 -10.620 -16.183 6.839 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 24.552 -2.928 12.590 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 -0.107 -0.211 0.419 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 -5.831 -0.795 7.467 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 -9.256 5.381 -3.378 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 2.283 0.018 4.519 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 -4.418 -19.799 0.476 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 -8.605 -14.139 -12.372 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 0.617 3.095 -2.120 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 -21.435 4.698 0.649 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 18.988 -10.441 9.570 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 2.175 -3.266 1.499 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 4.709 -22.242 -12.546 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 3.133 -15.863 23.339 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 -0.430 1.264 4.410 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 -0.129 2.826 10.086 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 -8.696 29.704 5.488 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 -8.315 -2.609 -1.973 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 -1.018 0.646 -6.207 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 3.104 1.622 -8.459 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 -6.015 -2.818 3.359 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 3.695 4.207 -7.474 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 -21.609 -16.243 24.700 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 3.883 -3.442 4.157 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 -5.856 -1.057 9.898 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 7.129 -7.612 11.832 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 2.047 6.198 0.228 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 12.895 3.814 -8.807 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 7.435 -7.053 20.790 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 -6.944 -4.321 -3.336 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 -6.394 -5.923 0.786 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 -22.512 14.597 21.774 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 3.274 -4.719 0.651 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 17.207 -22.685 -3.663 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 9.116 12.044 -7.539 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 -1.539 -4.085 1.355 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 1.055 1.662 -7.479 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 -4.545 -7.147 24.556 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 -3.736 -1.858 -0.134 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 -18.004 -0.189 -18.944 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 -6.452 12.268 -10.489 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 -2.636 2.533 2.011 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 -21.749 -19.058 -2.399 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 6.044 9.903 7.075 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 -2.790 3.783 1.696 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 -6.710 32.766 -10.873 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 32.731 -2.021 22.307 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 -3.274 -1.626 2.454 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 0.583 6.303 2.457 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 -11.745 -8.184 3.329 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 -3.809 -1.625 0.355 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 -2.876 0.961 1.895 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 2.488 9.413 5.141 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 0.962 -6.333 -3.175 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 -5.861 0.745 30.443 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 16.475 8.231 -7.122 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 2.228 2.329 2.002 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 1.158 3.340 4.707 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 -1.365 -13.588 -4.517 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 1.713 -5.704 -4.511 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 -12.592 -14.456 -0.198 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 13.984 12.158 -15.571 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 -2.413 0.793 1.891 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 -7.219 -15.731 1.848 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 10.811 17.941 -5.830 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 -3.924 -2.051 5.066 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 12.490 13.517 -5.238 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 9.794 -1.100 12.842 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 3.874 0.592 5.176 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 19.859 3.196 2.262 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 0.259 14.477 -6.931 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 -0.965 -2.290 4.372 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 -0.402 0.087 5.316 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 5.268 9.287 -0.509 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 5.186 2.132 -1.766 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 9.508 2.476 5.028 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 -5.503 6.251 9.863 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 -6.341 2.091 -6.100 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 -7.510 3.744 -4.983 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 -5.942 -0.877 -6.470 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 -0.237 0.982 0.663 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 12.352 -0.253 0.125 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 13.899 -1.292 3.805 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 -4.754 -1.576 -8.028 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 -12.851 -9.807 -5.410 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 -9.819 -0.740 -5.588 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 2.159 -4.610 -0.468 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 -9.788 -0.751 -12.027 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 17.199 19.291 -26.940 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 3.005 2.217 -0.030 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 4.140 9.002 0.584 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 9.715 -5.825 1.681 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 2.958 -3.250 0.735 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 -21.325 -1.566 -1.711 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 7.782 -13.588 6.328 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 3.468 -2.678 -3.666 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 1.353 -10.827 -4.198 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 3.467 -0.068 -6.016 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 0.599 -8.076 3.019 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 -2.207 -20.505 4.461 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 3.156 6.142 0.802 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 5.373 2.379 3.427 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 -25.878 4.939 -9.299 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 0.838 18.840 29.113 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 -0.133 3.442 -0.610 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 9.251 -9.135 3.616 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 3.763 17.032 16.435 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 -3.194 0.320 -1.877 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 6.080 -9.535 -24.222 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 10.375 18.509 -16.891 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 0.217 -2.982 -6.497 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 14.560 5.168 -3.902 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 12.256 -9.447 -12.381 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 -0.374 0.993 5.018 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 -15.014 -0.578 2.989 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 6.095 4.896 0.014 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 4.253 2.612 -5.699 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 -8.575 13.716 -7.170 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 -12.347 10.964 -8.938 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 -2.713 3.444 0.234 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 7.920 3.895 2.618 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 3.323 -2.630 4.123 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 -6.775 2.060 -1.608 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 -3.255 -7.593 4.186 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 -5.825 -1.297 0.228 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 -3.880 -6.341 -1.487 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 -9.513 -10.120 -4.348 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 9.665 -14.522 6.341 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 3.164 -2.267 3.404 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 11.972 20.526 -2.507 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 -6.074 -13.449 -24.930 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 6.894 -1.801 -9.534 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 -1.769 2.934 -7.639 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 -11.615 11.946 -6.253 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 1.638 0.014 -0.665 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 8.388 -10.122 4.697 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 -7.324 -2.191 -8.818 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 3.964 4.403 0.541 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 -3.936 -7.186 9.765 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 -13.914 7.456 -14.737 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 -4.327 4.698 -2.119 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 -7.464 -4.052 4.853 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 8.165 9.636 0.154 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 1.216 -0.044 4.621 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 -5.725 16.337 -21.111 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 2.259 -2.850 8.355 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 -3.286 -0.261 1.398 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 3.459 8.223 5.130 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 -3.681 -5.278 10.443 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 3.792 4.672 -2.823 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 15.335 -3.275 19.219 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 20.920 -2.593 29.543 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 2.619 4.375 -6.610 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 -1.110 0.142 -5.003 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 -11.621 10.507 9.382 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 4.247 -0.929 0.647 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 9.167 -0.126 6.090 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 4.043 -1.016 0.230 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 -0.354 -0.494 -1.660 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 -7.276 -11.180 0.593 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 3.351 8.939 0.562 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 1.597 -0.915 -1.215 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 -14.195 -10.046 0.106 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 -12.909 -3.831 0.289 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 1.974 5.933 3.275 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 -3.357 -19.616 13.839 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 -2.306 -12.452 -28.653 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 0.060 2.984 -3.105 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 5.695 4.305 -6.620 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 -14.556 -4.183 3.407 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 0.559 -1.414 -5.797 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 0.754 15.540 -2.698 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 -26.192 4.056 -27.191 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 -1.512 3.775 -1.019 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 -2.381 10.282 -18.463 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 28.631 -9.680 -7.087 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 -0.007 2.659 5.734 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 6.586 -1.024 -2.932 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 6.241 3.098 12.331 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 -6.233 4.251 3.090 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 9.211 16.667 3.763 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 -0.784 -16.962 6.040 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 -2.274 1.652 5.549 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 -5.148 22.091 2.438 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 -2.384 2.061 6.991 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 3.872 -0.229 4.720 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 -16.454 -9.131 -8.131 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 13.350 11.001 -1.948 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 7.249 -1.011 -0.608 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 -15.904 -4.625 -6.287 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 17.514 2.800 4.413 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 3.293 1.822 5.121 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 -8.147 -11.303 -27.167 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 1.764 -9.038 -10.723 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 6.542 -2.902 -3.492 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 -0.535 -12.026 -4.682 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 3.564 -12.126 -2.200 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 -1.679 -1.616 2.533 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 27.344 0.393 24.567 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 -6.877 -17.994 -13.501 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 5.225 -1.352 -0.465 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 -4.614 -0.150 -1.045 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 -10.152 1.891 2.702 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 3.022 -5.004 -5.260 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 -15.128 -11.198 8.404 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 9.083 -9.390 -16.309 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 -1.262 0.160 -8.948 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 10.753 -10.344 -5.407 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 -1.086 0.011 -7.322 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 -0.571 -2.036 1.866 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 3.367 7.214 -1.941 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 5.746 -11.865 -5.048 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 2.812 -0.505 4.553 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 -3.709 4.981 21.643 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 -2.841 7.377 -5.979 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 -5.236 2.212 5.704 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 0.387 -6.993 9.476 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 -4.382 0.034 7.626 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 2.348 1.001 -0.686 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 -13.269 -13.160 4.682 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 9.906 -13.040 -20.377 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 1.729 1.193 -0.693 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 5.638 -13.581 5.854 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 -11.679 -4.642 -4.851 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 0.867 4.404 -1.755 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 0.946 -3.936 -5.035 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 -13.941 2.580 0.072 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 -2.766 5.080 5.872 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 -7.528 0.476 0.967 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 -13.127 -7.796 8.774 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 -2.263 -1.640 2.714 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 -12.420 -4.939 -6.357 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 6.040 -0.400 9.353 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 -3.749 -1.979 -5.095 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 -4.787 -2.219 5.447 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 -6.225 -13.157 -7.994 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 -1.403 3.739 1.911 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 -6.644 8.160 4.513 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 -10.319 12.542 3.073 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 -3.062 0.075 -6.402 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 -9.543 -11.394 -33.912 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 -1.274 -34.619 -2.227 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 -3.945 -4.099 6.758 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 -4.630 15.020 -25.251 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 -6.900 -7.210 15.736 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 6.065 -1.797 -3.875 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 -11.689 -11.188 -20.508 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 30.095 -2.463 -9.263 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 0.096 -1.980 -3.745 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 4.311 8.458 -0.121 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 5.356 7.913 -7.707 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 2.228 -0.454 -0.862 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 4.014 1.871 0.056 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 2.347 2.422 -0.939 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 -8.228 -2.134 -4.082 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 -5.846 -5.833 -3.518 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 -12.560 -8.206 -1.818 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 1.921 6.386 -1.031 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 15.117 6.124 -3.993 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 20.249 -3.502 -6.603 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 -0.707 0.402 0.633 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 11.763 15.644 3.510 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 -9.242 4.336 -9.266 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 -2.665 9.220 2.215 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 -2.249 8.646 -11.909 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 -7.730 -4.031 -25.332 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 2.811 -1.960 -5.693 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 4.848 -11.890 -17.838 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 -3.130 -1.994 4.685 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 3.839 -2.726 -1.943 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 -5.781 -8.952 7.176 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 3.720 4.439 19.498 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 3.916 2.086 0.060 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 7.375 10.244 33.639 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 2.553 -9.778 -36.282 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 -6.831 -0.606 -6.047 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 2.565 12.087 -14.028 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 5.219 -1.409 -6.420 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 -1.201 2.276 -2.726 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 4.448 -16.152 -5.962 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 -11.373 -8.050 -6.163 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 -2.051 -4.281 4.544 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 21.806 7.169 -7.977 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 11.432 0.717 -3.801 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 -0.748 0.394 5.253 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 13.189 -5.745 18.953 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 2.609 -3.909 -3.610 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 -8.276 -3.866 1.525 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 -23.274 7.811 2.708 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 -2.491 -6.568 -9.880 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 6.938 -2.355 -2.067 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 -4.888 5.502 -4.842 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 3.302 6.140 -4.385 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 0.464 1.772 2.240 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 6.955 10.619 12.028 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 -0.798 14.381 5.791 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 2.925 0.206 2.535 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 6.828 -13.530 5.500 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 -9.757 9.121 -11.075 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 -3.853 0.569 -0.927 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 -2.088 5.260 2.683 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 13.263 -3.157 4.238 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 -2.201 -5.110 -4.239 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 5.990 -3.526 11.199 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 -4.829 -1.383 -25.463 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 0.653 1.753 2.460 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 -3.045 -4.567 14.247 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 2.003 3.493 0.482 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 -4.731 5.037 -1.920 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 -22.984 -0.192 2.752 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 17.883 21.716 1.479 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 -1.068 2.630 -5.136 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 -8.309 1.582 -1.984 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 15.241 18.830 -7.973 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 5.795 -0.225 -4.427 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 3.307 -4.363 -9.218 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 6.128 5.770 -6.919 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 -1.358 2.078 7.844 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 -0.284 2.022 2.901 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 11.818 4.896 -6.329 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 -6.741 -3.347 0.116 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 -23.453 19.559 -8.187 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 -3.059 -7.974 7.521 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 6.745 3.274 1.314 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 8.002 -25.679 13.647 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 7.683 -9.882 9.901 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 -1.469 2.471 -6.200 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 -1.550 3.998 4.399 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 -5.863 14.221 31.314 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 0.074 -2.869 -3.814 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 2.756 -5.408 26.944 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 22.628 4.557 27.140 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 1.525 -4.426 -0.480 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 7.409 -1.643 -11.646 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 4.660 -11.193 -8.734 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 -1.844 -5.822 -0.641 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 -3.054 -11.823 2.331 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 -0.680 -2.693 -6.925 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 1.581 -1.862 0.868 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 2.022 -1.078 1.190 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 2.451 -2.996 3.138 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 -2.194 11.628 4.155 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 -10.474 6.136 -8.699 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 0.707 -14.746 10.901 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 -0.088 -0.903 -2.985 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 -20.903 3.707 -12.360 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 11.022 16.712 -7.877 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 3.601 -1.175 -2.218 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 11.902 -12.289 1.804 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 6.012 7.692 -12.658 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 -1.792 -7.186 2.539 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 13.046 -8.104 -9.318 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 4.030 1.025 7.503 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 -3.951 2.150 0.503 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 3.079 16.467 -3.048 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 5.556 -3.666 8.363 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 -5.230 2.090 -2.284 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 -8.955 -0.009 -6.166 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 -10.853 14.919 -7.147 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 -9.657 4.762 -2.139 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 -9.006 5.814 -0.532 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 -9.363 11.935 16.188 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 -5.694 3.362 3.250 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 2.512 5.128 1.994 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 -8.208 -0.403 10.249 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 4.923 -0.236 -1.607 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 2.648 2.585 -8.832 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 6.575 -2.010 -0.867 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 -1.974 -1.575 1.570 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 -9.901 -20.749 4.057 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 13.969 -4.189 -15.027 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 -2.056 3.381 -2.059 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 -1.865 2.735 -1.053 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 -3.049 3.585 -1.973 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 6.590 -0.946 1.582 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 1.294 -14.606 -7.849 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 5.783 -6.700 17.964 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 2.875 3.817 1.748 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 -21.986 -3.947 -21.511 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 13.312 2.711 15.610 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 2.967 -2.731 1.667 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 0.644 -6.392 12.661 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 11.621 -4.779 -6.858 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 3.676 4.557 -3.667 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 -7.652 0.790 14.543 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 1.570 2.266 -5.482 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 -0.406 0.357 0.852 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 0.303 -1.107 4.961 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 0.875 -1.914 2.263 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 3.275 1.654 -2.346 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 -12.219 -13.663 0.529 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 12.313 -10.158 -12.437 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 -1.383 -5.392 -2.582 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 0.229 8.505 -1.488 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 -11.033 8.051 -6.476 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 4.940 -3.692 1.300 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 -9.049 -10.873 -8.046 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 5.411 -35.310 -30.627 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 5.926 -0.370 0.718 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 3.798 -3.055 -36.574 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 8.756 -1.116 -10.516 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 1.476 -2.477 6.907 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 16.348 21.789 -17.704 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 5.966 -4.631 8.452 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 4.107 -10.205 2.037 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 9.497 -18.046 0.501 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 -2.520 -10.199 -6.801 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 2.405 1.747 3.434 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 -0.300 -1.576 11.860 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 3.355 20.340 29.867 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 8.232 -0.574 8.763 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 8.839 2.761 12.776 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 -14.647 29.452 23.800 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 -3.737 2.217 -7.599 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 -0.268 1.249 -7.951 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 -14.282 7.681 0.416 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 5.593 -1.768 8.933 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 10.152 1.038 -3.858 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 -8.565 -0.277 8.262 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 4.871 0.796 -2.948 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 1.512 1.783 4.488 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 35.046 0.960 -4.451 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 -1.860 -1.212 3.286 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 -2.812 -0.982 -5.039 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 16.067 -2.188 -7.189 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 -4.126 -2.015 4.248 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 -1.870 4.398 -4.992 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 -5.002 2.126 1.841 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 4.337 -1.762 6.841 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 3.622 29.686 -13.683 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 -13.297 -5.657 -32.817 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 4.326 2.683 -1.034 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 27.765 12.180 6.181 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 2.979 -20.835 15.427 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 0.294 9.628 -3.939 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 -19.224 7.363 -7.236 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 5.955 -7.868 3.640 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 1.542 -0.657 5.765 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 10.526 -4.545 4.079 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 -16.406 28.370 0.503 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 -1.117 4.130 3.959 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 13.075 -5.405 13.773 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 -19.188 27.063 0.457 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 0.434 -2.474 -6.015 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 15.278 -10.731 -19.032 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 18.740 3.417 -3.546 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 -4.062 -0.166 -2.761 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 -5.451 5.922 -6.523 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 -2.276 -10.155 -14.757 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 0.026 -6.219 0.112 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 1.476 6.466 -5.380 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 -11.856 -8.992 1.787 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -0.943 -0.935 -0.780 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 2.992 16.437 -12.034 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 6.298 26.909 -19.898 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 1.920 -5.661 -0.577 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 8.826 0.388 -3.929 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 4.254 11.476 4.564 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 -2.653 7.844 -0.673 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 -7.322 4.271 -0.212 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 7.615 15.288 -0.645 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 -0.575 -2.099 -7.982 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 11.083 23.092 -6.586 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 -3.559 -4.502 -10.096 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 0.860 -1.244 1.862 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 -17.086 -5.887 -13.038 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 16.496 -16.976 -4.035 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 -3.277 3.079 0.421 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 4.026 6.396 0.292 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 -6.397 4.193 -7.988 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 1.532 1.174 -0.861 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 -30.820 -29.469 -10.810 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 13.787 17.327 -5.412 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 5.319 -1.687 -0.129 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 -4.812 -5.784 9.421 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 -5.428 28.374 13.560 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 7.294 -5.661 3.153 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 22.635 -16.602 5.262 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 12.662 -6.672 -2.089 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 3.218 -0.512 2.233 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 -10.247 -1.438 -27.412 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 15.459 -12.534 3.102 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 3.060 4.493 -0.031 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 -17.700 18.120 0.765 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 24.186 4.039 3.357 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 0.083 2.544 -3.758 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 -12.168 5.269 0.996 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 8.062 4.586 -20.064 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 -0.617 -1.935 -3.113 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 -5.406 -2.723 -9.690 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 -8.303 -11.527 2.068 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 -1.849 -2.540 -6.049 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 16.794 -7.958 1.965 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 -19.424 4.939 -19.390 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 -3.943 1.069 0.163 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 -34.047 -13.139 5.390 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 -13.110 -5.643 0.167 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 0.246 4.338 -1.035 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 8.250 -4.673 -5.149 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 -12.573 3.555 4.210 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 2.732 -2.896 0.405 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 10.961 22.244 6.253 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 10.886 14.824 8.009 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 1.555 0.944 -1.004 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 -9.458 -1.675 -6.720 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 6.081 -6.284 16.769 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 5.519 -0.262 5.848 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 -4.315 19.739 10.274 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 -2.672 2.276 -31.796 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 0.870 -2.657 0.260 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 -2.345 -16.652 5.560 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 0.183 6.265 8.115 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 -1.686 7.844 2.345 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 6.269 8.771 0.013 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 -6.407 4.586 -1.787 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 -2.170 4.375 5.735 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 -12.499 -8.485 9.629 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 10.369 10.441 0.614 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 2.208 -0.808 -2.654 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 15.828 15.815 -1.107 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 -5.763 0.330 -12.766 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 0.357 -0.466 2.058 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 4.586 -9.935 3.235 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 -13.420 14.090 -4.622 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 -0.763 -0.380 -0.200 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 -0.074 -5.088 -9.567 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 9.459 -2.675 -11.404 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 4.149 -2.907 0.005 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 -10.541 5.059 10.775 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 -8.247 23.633 -17.669 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 0.609 -8.764 -3.678 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 -17.315 -2.919 -13.024 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 13.693 28.397 -17.142 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 0.280 -0.596 0.975 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 3.015 -6.236 7.824 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 8.339 1.355 -1.817 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 -0.445 -1.813 5.978 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 1.535 -8.870 -1.199 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 -10.460 -1.660 14.844 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 -3.671 4.760 2.750 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 -5.004 -0.645 7.870 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 -8.455 4.064 -2.090 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 3.096 -0.364 -2.561 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 13.826 10.776 7.703 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 -7.286 6.967 -7.954 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 -5.489 -7.664 -0.211 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 -10.691 -5.199 5.397 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 8.823 25.550 -17.300 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 -3.907 -2.552 1.719 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 -6.282 -1.685 0.195 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 12.524 4.917 -15.430 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 -1.183 -3.645 3.182 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 -0.706 7.188 -2.926 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 -0.644 15.098 -5.031 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 -4.685 2.392 -1.883 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 1.203 4.100 11.422 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 -22.990 11.435 -11.289 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 -1.238 3.119 -2.300 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 25.150 -2.895 6.634 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 -6.248 -13.859 -7.221 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 1.027 6.306 4.562 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 16.095 -15.821 -7.388 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 5.161 -1.848 6.268 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 3.204 -0.130 1.845 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 9.126 3.236 -5.223 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 -1.311 36.361 4.771 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 -0.448 -0.505 -1.833 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 10.407 -2.506 -3.570 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 -22.420 0.882 3.473 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 8.610 4.405 0.744 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 8.478 5.294 -16.869 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 10.131 5.520 -1.610 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 2.879 -0.221 -3.301 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 2.822 32.771 29.860 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 -8.966 1.973 -24.499 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 -8.404 7.365 4.631 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 -5.681 10.287 -0.292 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 -6.212 -6.384 36.674 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 -2.719 1.292 -1.143 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 -4.767 -7.536 1.069 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 -1.381 -14.896 11.095 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 3.026 -2.957 3.559 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 -3.178 -9.815 11.950 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 4.187 -3.001 1.491 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 3.711 4.759 -0.650 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 1.968 9.478 -0.548 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 -2.225 -5.636 -2.896 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 -2.435 4.380 0.406 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 -1.840 3.186 0.191 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 -11.214 12.970 3.338 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 2.177 1.247 3.659 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 8.417 -5.754 5.238 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 2.671 -17.422 9.094 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 -0.353 6.127 0.105 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 9.031 7.518 -4.950 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 -12.999 -4.590 1.748 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 -2.735 0.573 2.185 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 -14.402 -5.804 4.950 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 -2.614 1.211 1.918 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 0.525 0.941 1.447 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 5.277 -20.209 1.712 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 4.029 1.953 -5.903 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 -4.318 4.222 -0.218 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 -13.198 2.019 -22.793 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 0.447 3.768 10.705 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 4.541 4.577 0.757 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 -12.231 5.429 1.134 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 8.624 1.960 15.556 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 1.607 -1.464 -4.310 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 1.284 0.692 -6.062 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 0.116 0.348 -7.543 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 3.012 0.146 -0.729 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 20.456 3.767 0.633 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 6.949 14.578 16.055 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 8.646 4.555 1.968 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 25.892 -5.197 11.266 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 31.471 -9.666 6.773 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 1.368 8.709 -2.280 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 0.553 -15.075 0.821 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 1.881 -12.519 16.865 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 2.481 0.415 2.386 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 -7.052 -4.433 -8.262 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 18.306 0.792 -4.041 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 -0.837 -0.972 2.307 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 2.514 -11.536 -0.797 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 6.774 -0.274 15.876 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 4.124 7.812 -2.720 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 -18.075 -7.886 2.561 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 -12.441 18.505 -6.102 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 -7.658 -2.445 -2.254 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 -4.245 6.399 -17.974 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 11.160 -6.273 -12.800 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 -3.062 9.258 2.221 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 4.636 4.129 12.563 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 -14.064 2.713 -1.730 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 -6.382 -1.170 3.463 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 1.230 -0.810 0.453 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 -4.560 -7.212 0.402 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 -3.099 -2.007 -3.899 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 -3.948 -1.372 8.023 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 -5.182 -6.473 21.953 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 1.275 -3.562 1.170 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 -0.180 2.416 1.014 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 1.883 -6.798 1.493 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 5.330 0.737 -1.762 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 14.445 -2.108 -0.412 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 -3.415 -6.238 -6.897 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 8.111 -0.087 -5.165 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 7.798 3.127 -3.527 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 19.117 -10.706 -1.433 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 4.031 -2.141 0.859 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 12.582 24.752 -12.168 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 -20.499 15.805 5.214 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 -3.035 -0.149 -2.149 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 -13.995 14.978 17.095 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 21.117 19.746 0.829 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 -7.051 -5.520 -2.418 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 -6.072 -1.980 -1.813 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 -3.393 -8.884 -3.023 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 -6.433 2.956 -0.049 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 -23.977 -7.506 -8.819 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 25.359 8.560 18.501 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 0.954 3.588 2.887 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 -4.443 -11.516 -4.881 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 11.230 6.834 0.397 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 2.896 -3.909 -7.399 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 5.061 -14.730 -3.831 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 4.697 10.281 -12.405 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 0.602 -1.053 1.606 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 -17.171 -11.727 10.473 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 -30.359 5.676 -5.782 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 -1.591 9.318 4.530 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 12.897 -3.194 21.256 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 -5.734 11.168 -10.336 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 1.385 -7.272 5.376 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 -0.472 -5.581 22.110 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 -13.735 -3.366 4.236 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 0.641 -1.571 2.625 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 7.173 7.285 -7.201 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 -3.320 -7.940 7.227 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 4.742 1.683 1.051 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 -3.720 -8.849 17.018 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 6.178 10.219 -15.251 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 -6.343 -8.161 -2.639 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 2.927 -8.221 13.536 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 -5.275 -6.287 4.020 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 5.571 -1.676 2.284 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 7.118 -2.374 -6.321 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 -4.607 -0.875 -10.305 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 -1.496 -3.466 -3.135 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 1.031 -17.167 -2.875 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 2.696 4.278 11.481 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 0.075 4.027 1.325 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 9.948 2.661 6.200 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 -11.303 25.289 -12.807 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 7.769 1.559 1.444 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 5.851 -17.935 6.427 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 11.057 -4.806 -2.778 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 -1.388 -1.407 -6.896 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 5.419 -13.102 3.660 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 20.626 -6.773 -15.279 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 -0.200 -1.397 -0.328 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 -4.917 -9.341 4.090 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 -10.864 -1.597 -3.167 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 -0.305 2.501 -8.449 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 6.678 35.032 -3.436 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 6.011 15.563 6.245 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 -4.895 -0.415 -3.628 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 -1.669 -2.380 -6.133 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 -10.369 4.563 -0.233 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 -2.526 -5.528 1.069 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 20.728 -2.057 2.785 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 -3.366 4.340 5.118 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 0.344 -0.109 4.502 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 17.129 -7.061 -11.740 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 -32.812 0.005 -8.381 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 -0.353 -0.954 0.722 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 1.154 -9.092 -3.287 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 -10.498 0.806 -37.227 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 0.955 -5.008 3.164 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 -7.543 -22.663 3.451 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 19.327 -6.773 -6.089 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 -7.683 -4.158 -3.451 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 -22.690 -16.554 0.541 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 -4.713 -2.000 -0.982 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 1.640 0.812 5.366 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 20.568 -16.062 -26.143 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 4.439 -5.963 0.406 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 5.517 -6.943 -3.690 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 7.792 -6.175 -8.084 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 11.025 0.904 -2.622 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 1.405 -3.161 2.818 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 -13.906 -2.370 -13.251 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 2.105 3.446 -6.492 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 6.155 6.323 0.207 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 -1.387 -10.220 -24.077 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 -0.099 5.603 -11.597 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 1.147 -3.895 0.776 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 -0.609 -3.602 0.777 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 15.618 -19.615 12.320 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 -3.953 -1.297 0.001 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 1.650 -27.431 -5.907 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 40.374 14.482 2.356 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 9.632 3.315 -2.982 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 -16.619 -3.193 -9.054 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 -0.300 1.127 -6.745 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 2.547 -2.354 1.059 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 -18.358 -0.596 15.056 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 -5.792 -2.467 2.894 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 -2.877 -4.289 -3.084 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 8.226 18.895 -3.249 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 -5.631 -10.382 -2.568 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 3.164 -2.517 -4.402 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 2.986 -7.399 24.001 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 -8.212 -10.132 8.502 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 2.321 -7.726 -3.284 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 7.939 -9.483 -0.708 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 -15.631 -7.592 1.263 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 2.170 -5.042 -0.689 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 9.820 0.246 -13.853 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 9.154 -20.154 -18.501 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 -5.244 -0.494 -0.332 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 -8.355 9.245 -5.298 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 -12.757 -7.123 -0.419 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 1.061 -1.088 -2.709 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 1.046 8.650 -1.052 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 -1.350 1.451 -6.438 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 -5.901 -1.895 -5.587 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 10.167 -0.148 21.185 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 8.588 0.137 13.039 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 -6.169 -3.611 -4.875 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 -4.208 -17.111 -12.830 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 23.327 -1.466 -6.685 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 -0.384 -4.958 -1.682 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 -3.731 -0.939 18.460 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 -6.550 -3.033 12.522 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 0.449 0.888 -1.874 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 3.492 8.517 7.840 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 3.120 8.410 11.215 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 -2.564 -4.249 3.326 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 5.121 -15.328 0.947 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 -18.439 3.567 1.949 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 4.122 -0.462 -4.109 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 -2.057 4.966 7.492 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 6.277 -1.709 -8.123 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 4.783 1.478 3.660 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 3.103 -0.231 2.314 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 7.546 -0.880 3.806 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 -0.540 0.202 0.051 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 -17.619 6.749 2.926 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 -2.666 -0.681 4.742 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 -3.608 -0.117 -3.270 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 -0.035 3.891 -1.945 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 3.771 9.063 -3.032 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 -3.698 6.761 -8.132 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 3.406 8.990 -1.923 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 -2.291 -4.701 -12.112 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 5.336 4.875 -5.219 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 11.940 -21.096 -1.794 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 14.314 -5.926 18.294 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 2.076 -3.312 -2.149 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 27.571 -12.176 -6.345 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 4.865 -4.108 -1.043 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 3.741 0.139 -3.638 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 -4.340 2.451 -12.502 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 8.610 -18.823 -7.014 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 3.123 -4.364 -0.190 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 1.043 -2.214 -9.578 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 -6.314 -23.582 1.040 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 1.370 -2.025 5.828 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 0.203 0.776 2.719 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 -2.036 0.505 6.336 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 -1.748 -4.081 -1.265 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 8.003 -2.888 -4.315 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 3.733 5.419 -10.054 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 0.353 -2.335 7.326 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 -25.873 17.678 10.919 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 -4.927 -2.032 4.875 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 -6.982 4.201 -2.502 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 -0.051 20.685 1.252 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 5.577 0.521 10.448 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 -7.377 2.534 3.878 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 -9.090 6.572 -19.922 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 9.001 -0.333 6.233 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 3.587 -5.994 4.424 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 2.113 -17.780 -3.757 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 6.414 17.974 -5.578 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 5.497 -4.454 -2.425 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 3.240 27.601 1.916 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 5.139 -24.686 -5.609 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 3.973 -1.030 0.709 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 8.595 -2.776 -9.660 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 5.154 12.597 2.377 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 0.955 -2.540 -2.947 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 6.971 -6.652 -20.174 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 8.366 -11.248 6.923 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 5.975 0.190 -2.707 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 -16.527 12.168 7.313 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 -3.341 -15.988 3.294 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 -6.441 -4.391 1.877 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 -2.367 2.756 19.199 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 9.570 -8.946 -6.978 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 -1.451 -1.664 -3.888 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 1.281 13.161 -2.636 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 -20.439 -11.532 -12.789 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 -4.381 -5.889 1.645 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 -8.372 -8.071 -7.244 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 -5.957 -7.012 3.289 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 2.779 -1.775 -5.603 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 1.942 -2.889 -9.969 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 7.118 0.649 -5.512 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 1.821 -3.522 -4.468 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 -4.223 0.701 -3.133 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 17.091 -21.965 -3.993 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 -0.162 -3.637 -0.390 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 -5.386 -6.009 -8.974 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 0.033 -9.142 15.337 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 -1.202 4.358 -0.547 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 8.026 3.200 -19.520 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 0.332 -1.588 1.618 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 0.933 1.158 -5.137 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 -10.555 12.323 0.379 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 12.945 8.513 -10.940 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 0.146 -3.493 1.732 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 9.133 -3.671 -1.748 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 -3.439 -14.379 -0.014 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 -6.112 2.292 -0.498 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 -6.241 -3.967 0.260 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 -3.343 7.675 6.076 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 1.175 0.902 -1.184 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 22.393 -14.659 -13.523 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 -15.067 -6.903 -19.104 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 -3.174 3.686 -3.478 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 -13.309 7.960 -8.437 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 0.192 4.274 -0.213 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 1.781 0.535 -1.414 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 -3.585 -10.656 5.543 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 1.202 11.868 -18.301 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 -5.913 7.219 -3.363 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 14.186 -1.981 -10.753 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 -24.481 -0.564 1.711 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 -5.086 4.177 -1.322 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 -11.179 24.565 11.674 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 -18.840 -4.752 14.644 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 -2.334 1.878 -4.114 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 -1.594 17.468 15.197 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 -7.547 -19.588 4.047 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 3.341 5.616 5.866 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 -13.392 -17.410 -26.593 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 -12.075 14.544 1.577 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 -2.529 4.603 -0.587 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 -0.411 -26.161 -9.989 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 26.290 0.406 -2.287 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 -1.055 -2.749 1.680 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 -4.826 11.048 -2.924 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 15.359 -10.882 0.496 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 1.518 0.074 -1.305 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 -7.343 14.328 -9.816 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 -13.252 18.254 -0.470 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 2.254 0.892 -7.556 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 -3.570 -19.696 -2.835 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 -2.745 19.050 13.622 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 2.509 2.605 -0.294 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 3.143 -13.668 -6.734 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 2.364 13.280 -13.803 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 -3.932 -12.044 6.712 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 -15.008 6.800 -17.052 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 -11.476 1.915 -13.630 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 -4.209 2.629 3.908 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 -12.222 15.764 -11.307 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 16.159 12.938 8.927 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 -6.010 0.703 -3.318 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 -3.450 5.257 -9.673 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 22.919 4.944 25.700 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 -0.979 -3.294 -0.860 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 -13.341 10.088 7.866 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 -6.066 2.526 -1.700 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 0.585 11.398 -4.521 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 1.614 15.218 -6.881 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 -6.935 16.100 -9.620 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 1.400 6.847 4.672 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 18.424 2.657 -11.513 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 -5.655 16.469 9.474 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 3.081 1.491 0.590 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 3.334 -18.251 1.249 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 -8.408 -5.135 -3.227 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 -4.941 -2.686 2.020 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 -1.553 -0.743 18.797 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 -8.047 8.307 -20.668 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 2.831 -3.007 2.291 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 -8.426 9.299 18.388 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 -11.003 6.231 14.313 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 -1.254 -5.031 -1.030 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 -9.158 -5.313 0.917 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 -6.848 -15.723 3.101 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 2.843 2.088 3.112 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 12.685 2.983 6.148 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 -6.693 1.342 0.261 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 2.201 5.927 -6.730 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 14.001 -8.125 0.862 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 15.911 15.344 -34.754 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 -1.947 3.629 -2.171 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 -13.917 8.253 -4.449 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 -9.917 -1.677 4.939 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 3.270 -6.618 -1.395 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 -3.439 -4.148 -7.886 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 -5.800 -24.543 -8.425 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 -2.311 4.034 -2.400 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 4.846 -5.987 9.667 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 5.996 15.990 -12.218 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 -5.023 -2.856 6.400 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 4.957 -9.745 -6.366 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 14.083 -19.095 -6.125 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 2.861 -2.189 2.216 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 3.393 0.386 5.001 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 6.017 -4.234 -1.216 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 2.010 -2.692 0.300 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 -2.803 -6.256 -13.804 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 2.273 0.886 2.326 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 1.890 -2.436 1.067 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 -9.760 -15.754 40.217 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 -23.925 -9.393 -8.832 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 2.217 2.300 5.380 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 -1.915 2.208 -1.458 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 -5.838 -0.399 27.382 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 -1.337 0.484 -6.495 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 -16.541 5.437 -9.652 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 -7.379 3.780 -8.108 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 -0.544 -3.401 -3.968 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 -9.468 -4.104 5.222 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 -4.220 0.536 -8.108 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 7.623 -0.383 -1.935 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 7.301 17.560 21.618 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 5.613 12.539 -9.978 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 5.289 7.349 1.676 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 10.465 19.227 -7.515 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 10.360 -2.872 -3.174 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 -2.103 6.942 -0.437 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 -5.561 28.168 -2.670 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 -2.807 11.711 -2.054 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 0.241 -3.287 0.372 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 7.665 -1.621 -14.358 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 -2.891 10.616 -6.768 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 5.800 4.784 -2.813 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 7.345 3.919 -1.421 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 4.463 6.684 -10.160 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 2.172 2.689 -2.817 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 -9.459 -11.387 -21.405 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 -16.221 5.471 25.842 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 6.677 0.333 -1.152 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 14.042 -26.761 5.338 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 -7.684 -1.904 -7.982 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 -1.098 -0.598 -0.927 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 3.262 5.407 6.733 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 -3.883 -2.828 -2.845 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 -5.899 -0.121 1.053 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 -8.291 1.966 6.027 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 -7.920 -0.265 11.908 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 1.196 6.730 -1.888 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 20.011 0.678 -2.893 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 11.114 8.860 9.492 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 1.326 2.368 -3.429 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 3.833 2.892 -0.041 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 -0.978 -1.241 -11.860 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 0.339 -2.375 -3.010 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 8.083 -0.136 -7.775 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 0.853 -8.518 3.400 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 -0.127 4.400 7.069 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 -8.584 2.551 -5.933 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 17.159 24.751 24.631 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 7.083 2.475 0.814 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 8.555 3.612 9.536 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 -13.581 -21.933 -10.962 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 2.005 -0.019 8.564 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 23.842 13.043 17.514 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 12.388 11.206 -1.869 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 6.476 2.434 0.104 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 -1.840 -17.992 -6.264 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 18.550 -1.322 9.607 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 4.640 1.353 1.891 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 1.271 -16.896 12.266 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 4.157 24.919 16.262 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 -3.354 -0.876 0.801 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 11.788 2.333 23.052 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 -4.264 15.304 -20.906 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 1.268 -4.752 0.836 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 12.308 -0.646 1.903 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 21.782 21.421 17.225 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 -5.673 0.660 4.465 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 -9.936 3.159 -0.706 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 38.254 -9.097 23.160 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 -5.364 0.754 2.030 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 -11.884 -4.417 2.040 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 -24.972 -2.984 -2.890 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 3.427 -1.225 -1.357 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 1.528 -10.092 -11.966 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 -3.109 3.128 1.793 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 -5.324 -5.787 -0.026 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 -3.984 -5.633 8.184 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 -4.000 -4.542 3.200 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 -3.109 0.479 -3.331 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 -5.251 -9.288 -1.030 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 3.877 -2.484 2.878 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 5.767 2.403 -5.018 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 26.091 -26.109 5.716 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 15.615 4.354 -7.539 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 9.330 -1.657 -4.129 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 4.460 -10.657 0.631 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 10.788 -4.389 0.408 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 5.176 -1.783 1.878 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 12.061 17.534 11.697 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 11.349 2.922 -9.627 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 4.468 0.385 5.370 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 8.350 -1.583 4.275 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 -9.819 -14.102 -10.442 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 -2.720 3.013 0.547 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 1.426 -4.724 4.817 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 1.293 -7.727 6.140 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 2.111 -1.021 -1.431 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 0.393 20.921 13.122 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 -29.648 -11.147 -4.503 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 0.627 0.525 1.218 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 -28.842 5.794 4.688 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 9.817 -7.376 28.771 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 0.838 3.886 5.535 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 -0.906 16.687 25.953 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 11.546 9.757 17.938 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 4.230 0.591 4.940 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 5.079 -1.017 3.769 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 3.756 0.709 5.780 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 0.785 0.906 -0.182 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 -9.417 -2.313 -14.118 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 -5.088 9.661 -0.779 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 -1.909 -2.693 3.841 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 23.955 9.066 -2.339 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 -16.688 -17.687 17.997 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 -3.651 -6.080 5.521 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 -8.561 0.260 -2.032 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 -17.476 15.569 3.102 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 -2.701 -3.105 -1.593 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 8.325 6.346 -19.713 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 -7.893 12.038 -9.707 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 -1.140 1.433 -6.870 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 -1.541 13.046 -16.241 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 -7.416 -12.318 -7.043 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 1.461 9.367 -3.791 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 2.026 10.746 -9.126 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 1.749 -2.866 11.912 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 -2.687 7.775 1.440 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 -14.652 12.745 -16.359 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 2.698 9.708 16.659 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 9.630 -0.144 8.959 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 6.975 -6.172 7.741 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 1.123 16.885 -5.293 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 -6.013 -3.586 -0.276 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 0.762 0.228 0.160 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 10.611 5.599 -2.316 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 8.983 -2.170 -2.761 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 0.800 1.417 -1.215 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 -15.999 6.391 10.970 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 1.339 1.208 -1.400 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 -18.293 -12.040 -4.417 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 25.317 13.903 1.370 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 2.303 4.284 5.205 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 -0.724 11.605 -6.090 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 0.774 0.856 11.285 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 4.119 2.891 0.637 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 -38.588 8.516 -20.826 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 1.764 13.515 13.576 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 -0.691 0.683 -2.293 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 11.056 -4.555 1.351 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 -7.869 -12.656 -7.902 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 5.031 9.306 -2.357 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 -2.099 11.023 7.669 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 39.066 -8.910 -7.314 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 1.591 1.873 3.213 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 9.066 -7.053 16.334 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 14.387 7.497 -7.096 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 -0.134 5.401 4.898 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 -5.542 -1.390 -2.098 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 -5.881 6.960 10.663 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 6.217 1.331 -0.946 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 8.012 4.697 2.595 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 -0.775 13.415 9.531 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 0.792 -0.510 -1.415 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 0.144 11.214 -12.207 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 9.759 -8.578 -2.707 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 0.486 -4.614 0.888 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 16.078 -6.828 13.586 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 -13.883 11.298 -21.490 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 -1.905 -1.938 1.232 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 -5.279 2.276 -7.612 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 16.372 7.694 -5.974 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 2.605 2.237 0.450 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 9.669 -3.763 7.891 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 10.597 2.557 -13.104 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 2.983 2.892 -3.312 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 2.973 -3.186 -11.239 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 -23.961 -35.655 -15.434 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 6.399 2.997 0.576 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 1.481 8.177 -1.733 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 13.712 1.137 7.132 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 6.470 -5.691 -3.449 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 -4.754 25.821 -13.095 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 -19.065 -21.242 -6.019 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 -5.481 -2.385 -4.674 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 -7.933 4.214 -9.211 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 -2.987 2.611 0.248 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 1.113 -0.179 -2.527 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 0.899 26.592 2.199 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 3.303 -27.745 -10.157 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 -6.924 1.511 0.583 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 -24.821 -2.566 -15.533 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 3.467 5.585 9.710 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 -3.246 -1.792 2.535 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 -5.250 -5.891 -7.620 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 -10.563 -7.924 9.113 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 -3.226 -1.809 1.444 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 -1.446 -3.250 1.416 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 6.378 -15.281 26.209 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 1.599 1.666 -3.350 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 -16.207 4.396 8.326 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 3.340 -17.006 9.956 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 0.244 1.474 -2.608 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 1.123 1.065 -1.438 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 0.616 1.800 -2.466 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 3.057 1.485 -0.551 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 0.147 11.453 10.481 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 14.203 -18.730 -18.747 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 -1.394 -6.869 -1.945 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 -11.102 -5.198 -10.425 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 1.088 -4.426 -3.378 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 0.322 2.552 6.482 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 -5.053 4.616 0.998 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 8.684 3.506 1.794 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 -1.248 1.182 -4.583 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 -13.419 -14.411 -4.952 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 11.180 7.582 -3.856 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 -2.758 -3.128 4.145 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 1.220 -4.998 3.442 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 -3.561 -6.576 5.927 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 -0.313 -1.677 -1.718 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 10.420 14.488 9.569 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 12.631 -11.384 7.253 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 0.716 -0.868 -3.793 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 -5.430 -13.815 -0.565 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 -5.506 -1.941 -16.574 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 -8.313 1.063 2.480 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 -10.416 -8.696 12.240 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 -0.522 2.914 -3.882 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 -4.735 0.679 3.437 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 -1.510 -12.572 8.725 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 -8.531 14.375 4.672 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 1.969 -3.833 6.149 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 -10.117 0.382 5.065 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 -16.684 -4.491 11.166 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 -6.484 1.256 -1.394 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 13.287 6.506 -15.308 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 -12.958 -13.354 21.743 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 -3.056 -6.008 1.299 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 4.096 -18.156 -5.848 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 -5.587 -14.212 -2.812 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 2.909 -3.784 2.995 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 7.853 -6.322 19.525 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 -6.950 12.964 0.721 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 -9.702 -1.092 -6.185 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 -10.637 -3.107 -7.917 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 -8.522 1.763 -8.928 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 -6.133 2.730 3.063 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 -1.658 3.003 -8.359 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 3.586 -2.869 9.558 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 -3.704 4.498 2.383 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 10.741 -6.460 15.212 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 11.713 -29.637 46.506 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 -0.416 7.774 -0.973 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 2.986 7.202 4.251 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 15.779 -1.968 14.227 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 -1.865 4.751 1.136 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 -6.096 7.098 3.200 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 -6.988 10.933 -8.709 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 1.538 -1.870 -6.715 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 22.241 -6.717 -3.923 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 12.821 -9.430 -14.061 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 -4.736 -7.069 -6.667 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 3.896 6.248 3.824 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 -18.243 -15.667 7.890 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 -3.634 -1.659 2.234 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 -8.267 -11.691 2.083 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 3.784 27.869 10.720 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 9.106 -3.287 -0.286 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 15.262 21.002 -18.514 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 -17.194 0.849 -7.607 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 3.054 -0.118 2.327 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 -24.537 11.763 2.376 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 -0.324 -3.830 9.361 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 -1.804 7.201 1.068 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 8.274 -14.025 -3.176 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 2.891 12.080 11.044 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 2.154 0.036 1.435 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 19.841 -6.134 1.755 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 -7.810 -11.934 -9.518 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 2.378 2.292 -2.084 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 -9.122 -1.191 -31.893 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 -1.492 -7.454 -11.678 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 -4.441 5.155 -3.016 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 9.853 13.561 -4.830 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 -3.612 1.763 6.944 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 11.395 5.814 -0.553 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 10.707 6.892 0.635 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 -4.151 -14.496 23.302 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 -3.880 6.301 -4.098 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 6.704 5.918 -1.555 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 12.577 14.105 2.247 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 -8.661 -6.508 1.772 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 2.199 -13.250 -25.251 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 -6.383 -9.829 -10.693 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 -3.799 6.784 -7.664 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 -4.408 17.066 1.882 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 -3.453 -25.767 -9.981 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 2.848 -2.052 -0.217 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 7.013 3.586 -4.321 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 3.883 -8.999 1.214 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 7.343 -6.122 -0.401 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 0.000 3.205 -2.943 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 12.382 -0.850 7.980 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 -3.188 3.661 -3.230 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 -3.707 5.674 -2.500 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 -25.995 28.320 27.213 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 0.770 -7.507 2.443 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 -20.297 -22.441 -20.153 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 -11.012 -12.069 22.310 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 2.041 0.857 -2.624 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 -1.270 -5.452 -17.098 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 2.457 2.778 2.093 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 -1.867 0.476 -1.303 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 10.932 -4.105 -3.156 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 -4.626 -9.302 8.468 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 1.856 1.319 -2.702 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 -1.401 -2.030 4.702 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 8.326 7.427 -0.880 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 5.286 -2.405 4.841 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 -3.255 -3.476 6.969 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 -5.684 -4.243 -10.195 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 1.007 0.721 2.464 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 -7.369 5.530 -8.205 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 -5.497 -15.374 4.611 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 -1.197 -1.512 -3.566 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 5.503 0.952 -8.007 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 6.043 -11.830 0.675 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 -3.953 -4.159 9.358 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 -3.662 1.046 11.917 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 29.755 6.038 29.122 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 -1.680 -0.607 -5.210 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 16.375 -15.310 -1.854 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 16.845 -19.275 2.371 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 -1.260 2.909 -1.574 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 -0.231 -4.581 -14.009 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 -0.337 4.780 -14.110 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 4.090 -2.486 -0.759 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 3.535 4.583 2.105 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 3.388 -4.443 1.151 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 4.898 5.706 -1.393 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 1.408 -12.544 -13.739 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 -5.268 -0.777 17.180 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 0.499 -2.360 -1.536 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 6.934 5.702 -5.329 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 -4.700 -6.363 1.700 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 -6.046 2.269 4.823 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 -2.687 14.158 -0.519 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 -11.932 -1.622 10.732 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 0.659 4.230 -0.684 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 4.918 19.596 -5.044 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 -16.106 -21.915 6.446 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 -4.694 -4.958 0.786 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 2.455 -9.443 -7.705 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 -22.636 1.290 24.677 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 -3.149 9.252 2.830 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 -0.674 25.847 0.402 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 -1.728 -19.238 -18.162 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 4.214 -1.270 2.694 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 27.966 3.965 10.412 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 15.688 -33.863 -17.977 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 -0.676 2.413 1.704 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 3.821 6.876 -12.618 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 1.342 5.935 -4.881 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 -4.487 -1.724 -7.291 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 -3.955 1.170 -4.990 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 -8.962 4.367 0.030 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 4.951 -0.807 -2.309 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 8.373 -10.080 -2.287 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 -1.315 13.066 -3.426 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 -0.897 7.248 2.602 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 31.399 -12.083 -4.399 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 -1.115 36.652 9.818 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 4.802 1.525 -1.274 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 10.998 11.558 -2.433 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 1.096 -6.642 -4.998 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 -7.423 -4.789 -3.707 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 -10.712 -24.886 6.130 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 5.080 7.074 -9.955 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 -3.986 2.089 5.291 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 4.127 1.204 7.633 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 -26.662 9.790 16.726 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 1.248 -1.193 5.408 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 -2.590 -4.666 4.470 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 -15.910 -15.000 7.588 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 2.128 2.260 -3.253 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 -0.951 16.051 14.477 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 4.775 -9.843 13.532 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 0.078 2.476 -3.070 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 -0.877 3.783 -3.735 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 -5.703 6.215 5.510 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 1.599 2.128 5.334 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 -5.668 6.156 13.110 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 11.430 6.460 1.987 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 2.159 0.493 2.615 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 1.155 17.437 10.971 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 -2.491 15.449 2.785 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 8.528 -0.070 -4.755 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 10.003 0.829 -7.014 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 2.017 -5.288 2.874 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 -0.257 4.131 3.038 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 26.250 4.682 -10.008 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 23.228 13.377 8.150 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 -2.999 -3.276 1.297 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 -6.116 -0.013 -1.069 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 17.375 -20.283 15.991 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 -4.166 0.914 1.132 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 12.579 8.866 -22.003 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 -10.635 -0.006 9.131 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 0.788 2.765 -5.039 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 12.978 20.903 -0.585 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 -2.747 -13.458 -5.881 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 1.547 3.170 -0.207 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 -3.230 4.915 -9.554 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 5.157 6.442 6.022 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 1.309 0.044 -3.084 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 5.481 -14.728 14.648 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 7.748 11.282 -0.536 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 -5.155 3.324 -4.866 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 -13.953 -12.290 -36.301 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 -2.981 15.944 -12.163 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 -7.060 -3.051 2.395 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 4.605 9.999 -30.426 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 5.800 -4.518 12.982 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 -2.321 4.235 -1.233 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 -6.411 14.235 18.195 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 20.272 -4.393 20.974 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 4.182 -0.916 1.168 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 -7.136 10.886 -3.461 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 7.846 3.571 11.216 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 -4.798 -0.464 -2.582 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 1.319 1.496 -3.663 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 2.782 -4.017 5.789 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 -1.297 0.033 2.198 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 -3.026 1.301 0.466 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 -13.167 11.298 7.067 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 -9.349 -7.481 -2.438 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 -4.440 11.158 -0.922 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 -10.045 -16.164 13.513 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 1.756 -6.303 -0.647 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 -18.204 13.971 -6.078 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -16.622 -2.517 -1.562 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 -3.631 -4.966 -5.118 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 -22.613 -14.396 7.133 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 8.172 9.892 9.913 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 1.618 5.163 -0.017 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 -6.724 -3.549 21.184 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 18.826 -12.407 29.483 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 -7.672 1.670 -3.528 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 -5.494 10.435 -2.461 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 -2.829 12.569 -11.544 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 -2.830 8.245 2.584 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 -4.534 13.241 5.650 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 12.415 -1.105 -4.868 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 5.133 1.177 -2.627 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 12.507 3.787 -9.333 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 11.489 8.126 -4.638 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 4.835 0.396 0.704 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 3.156 0.615 -18.352 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 6.677 2.594 1.348 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 -3.226 -1.439 4.138 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 -39.481 3.308 -7.676 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 25.832 -11.421 6.775 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 -2.014 2.441 2.093 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 3.078 11.250 -2.548 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 -3.964 5.946 -2.088 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 -5.783 4.254 2.864 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 -22.274 -17.955 3.183 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 6.882 -1.946 -2.127 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 6.602 -1.536 -7.971 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 5.984 6.212 -9.087 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 12.544 -4.052 -4.690 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 2.291 11.337 3.653 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 18.037 1.903 -7.832 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 -3.793 -6.927 15.083 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 -7.308 0.846 -3.082 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 -4.767 16.209 2.194 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 13.611 7.404 0.611 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 4.408 4.350 -3.805 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 4.571 -0.399 10.428 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 22.744 -2.981 -3.381 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 -0.759 0.060 4.117 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 -7.288 -4.643 7.275 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 -7.300 -2.735 5.440 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 -2.674 -0.679 -1.273 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 10.407 -17.191 -17.880 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 17.946 10.839 11.573 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 -1.484 -1.666 0.171 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 8.770 10.973 2.165 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 4.860 -23.472 -4.992 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 0.527 0.929 -2.612 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 6.095 -11.245 -6.344 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 -7.213 4.084 -17.507 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 -4.018 9.346 1.599 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 16.380 5.796 -7.000 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 -1.075 -0.933 19.779 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 -7.063 3.691 -7.169 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 -2.358 -2.984 2.835 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 3.108 4.295 -14.975 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 -2.730 2.952 1.517 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 -9.650 7.788 4.467 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 -5.362 7.859 -4.279 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 7.218 -0.600 1.599 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 -21.413 13.658 7.424 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 19.994 -18.995 -12.320 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 -1.122 -3.085 -0.651 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 2.837 -19.956 2.300 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 -0.434 -5.720 -0.524 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 2.865 -2.492 6.073 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 2.195 -3.580 -5.129 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 4.315 -10.142 -1.560 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 1.493 -0.936 6.072 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 3.817 -24.586 -7.154 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 4.394 -17.025 -5.927 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 3.026 -5.762 2.969 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 3.625 -15.102 -2.950 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 8.619 -5.668 -4.752 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 -3.437 0.143 -0.508 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 -8.272 0.197 13.448 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 0.255 0.293 -7.400 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 2.474 -0.503 -2.608 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 -13.762 9.839 10.174 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 0.981 19.380 10.220 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 6.280 -1.217 -1.829 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 -2.083 -3.756 5.984 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 0.381 -3.747 -0.054 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 -0.465 -3.250 -2.351 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 21.007 -9.647 -6.056 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 -9.715 3.534 2.132 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 -0.987 -0.362 1.931 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 -12.414 -11.039 22.770 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 2.218 0.998 14.055 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 -0.185 -5.507 -1.493 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 -0.357 3.477 -12.520 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 -0.614 3.903 -10.110 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 -3.697 1.070 5.921 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 -6.512 0.423 -1.980 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 3.273 -1.391 5.245 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 1.260 -1.909 0.735 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 -5.852 -3.983 -2.853 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 -2.314 -4.536 -16.833 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 3.942 2.395 -4.556 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 -24.275 3.892 -13.078 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 14.923 1.590 -16.448 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 3.416 -1.747 6.310 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 2.480 -22.125 -11.942 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 -16.293 10.107 10.156 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 3.884 -8.825 1.357 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 5.353 -9.279 20.390 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 8.766 -2.029 1.348 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 -1.453 2.034 3.222 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 -4.764 -9.164 6.324 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 1.920 8.736 12.426 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 7.520 -4.093 -6.520 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 16.886 -4.160 17.441 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 -15.101 -17.136 7.649 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 3.461 -1.348 0.662 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 -6.080 -3.506 13.679 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 -1.692 11.809 -3.600 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 2.744 -1.184 4.982 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 13.633 1.062 4.353 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 8.874 5.244 11.895 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 1.978 -1.177 1.318 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 3.063 4.938 -0.360 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 2.543 -3.147 -2.617 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 0.746 -0.610 -0.101 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 1.741 2.140 28.198 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 -24.875 -8.187 -0.112 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 -2.192 -8.949 -1.470 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 -12.142 -27.067 6.418 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 -17.018 -37.596 14.196 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 -0.305 1.334 3.868 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 5.228 30.620 8.382 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 0.792 -15.099 2.661 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 2.709 -6.450 -0.802 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 -10.929 -7.610 6.416 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 2.439 5.248 -4.862 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 -2.663 5.008 -0.395 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 -1.204 9.085 -8.322 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 3.562 -3.397 -1.150 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 2.169 2.256 -2.955 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 -0.231 13.185 -9.411 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 -3.030 3.262 15.479 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 5.111 -1.824 0.067 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 -10.810 -18.489 11.143 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 5.164 25.802 -12.911 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 1.489 -1.643 0.229 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 -3.582 -9.322 -4.841 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 6.883 1.016 2.283 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 0.932 1.615 3.568 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 17.339 -5.102 -4.951 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 25.223 -6.662 -3.878 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 3.637 -4.704 4.045 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 10.155 -3.680 1.904 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 16.264 1.534 -3.663 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 -0.851 3.388 -4.280 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 11.714 1.558 -2.539 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 6.833 0.135 -18.416 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 -2.729 -7.264 0.946 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 -1.046 1.247 -5.222 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 -1.108 -15.490 -5.833 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 0.394 0.082 -2.135 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 -3.949 18.186 -7.224 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 2.459 -6.655 0.220 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 -1.185 3.706 2.172 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 19.843 -12.342 -5.254 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 -5.790 6.434 14.843 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 3.481 5.859 3.512 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 -4.949 -15.707 7.479 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 4.900 12.107 -6.491 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 1.018 3.199 -2.330 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 -6.239 -0.562 -2.226 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 5.172 1.784 5.163 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 2.460 -4.407 -2.020 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 -0.825 0.604 5.884 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 1.699 -7.005 2.271 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 -3.668 -3.045 3.597 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 -16.706 -4.549 6.846 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 -1.751 -11.419 6.785 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 3.135 3.599 0.768 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 13.294 11.617 11.945 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 -14.187 -7.099 9.014 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 -2.720 -1.655 -6.056 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 -2.631 -5.535 -4.504 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 -2.795 -2.471 -5.895 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 -5.867 1.121 1.377 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 -13.917 7.621 4.784 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 -13.817 35.838 15.378 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 4.025 4.789 1.090 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 -1.270 1.725 2.644 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 -3.741 0.247 3.993 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 -3.217 -1.133 0.031 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 7.120 8.258 3.304 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 -3.219 -17.665 -10.018 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 3.791 -3.420 -2.842 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 -4.628 0.133 -20.657 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 7.173 12.881 6.425 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 -4.219 5.682 3.295 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 -3.064 0.937 11.901 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 -4.746 0.236 10.555 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 8.295 -0.781 5.938 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 0.063 -2.607 16.935 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 15.990 2.331 -7.696 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 7.070 4.076 -5.198 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 4.947 20.849 -14.801 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 -9.387 -7.725 -8.874 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 -4.537 2.299 -11.307 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 4.242 22.534 -8.778 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 4.018 -10.898 8.414 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 -0.167 -3.909 5.419 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 3.204 -4.837 2.829 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 -20.316 -13.374 24.137 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 -0.412 -0.239 -2.318 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 0.964 0.090 -0.582 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 5.032 -2.426 -4.517 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 -3.400 -0.368 -5.416 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 -13.711 -6.457 -7.142 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 -1.563 -4.262 2.390 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 0.319 0.894 2.166 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 -5.143 5.354 19.415 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 11.019 -12.415 3.390 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 -3.194 5.465 -3.013 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 -2.972 3.451 -5.749 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 -5.401 4.836 -7.677 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 -5.660 5.984 -0.751 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 -9.716 6.352 15.441 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 -3.686 6.852 -5.149 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 0.869 0.340 -4.684 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 -9.085 -1.907 5.580 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 3.081 20.273 13.713 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 -6.257 0.186 -0.309 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 -10.448 -6.110 22.726 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 2.333 -3.487 3.941 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 -0.463 -1.059 3.010 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 4.994 -8.796 3.264 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 8.745 -24.086 8.303 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 -0.749 10.302 0.900 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 -0.888 -11.011 -6.045 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 8.367 13.020 1.346 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 -0.428 -1.460 -3.215 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 4.733 -25.561 -0.072 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 -0.996 4.472 -26.290 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 3.349 3.970 0.887 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 -15.569 7.974 15.818 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 7.340 2.891 11.294 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 3.021 -2.643 -3.468 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 -6.991 13.859 -2.478 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 -3.968 -19.119 33.882 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 -7.468 0.934 2.091 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 -2.348 3.813 1.218 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 -3.365 1.120 1.170 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 0.846 -1.777 -2.442 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 -16.220 -23.365 19.130 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 8.548 0.895 9.627 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 -0.791 6.902 6.081 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 -40.380 6.585 -29.048 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 11.295 -5.032 -15.478 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 8.616 -1.936 0.653 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 16.731 2.385 -5.681 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 -1.509 -6.796 -21.402 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 8.934 0.574 -4.199 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 12.519 -1.159 2.935 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 13.160 -5.041 -8.554 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 -2.021 -3.800 4.579 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 15.635 -12.629 -10.834 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 -4.219 20.792 -0.445 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 -0.904 -0.115 -0.194 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 -13.794 -1.633 -8.283 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 -3.056 -4.027 -6.567 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 3.043 -2.170 -8.577 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 12.101 1.599 -7.197 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 -6.496 1.272 -6.139 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 2.651 -4.828 0.090 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 54.533 2.525 17.019 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 15.029 -10.064 0.242 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 -1.741 -0.096 -0.528 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 -6.220 5.441 -1.278 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 1.825 -7.371 0.668 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 6.308 -3.022 3.399 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 12.302 -3.879 2.192 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 -11.543 5.890 -0.300 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 -1.148 3.751 1.486 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 0.833 -4.674 -7.393 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 13.177 2.327 27.825 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 2.638 0.807 -3.734 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 10.839 -10.565 -23.810 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 -12.047 -13.501 1.815 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 -0.500 0.258 3.479 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 11.314 17.243 9.779 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 8.418 5.465 1.212 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 1.482 -7.536 -4.189 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 1.454 -5.040 -9.737 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 6.488 -1.402 6.485 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 -2.896 2.519 -2.618 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 1.596 -9.087 -9.482 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 7.168 -1.816 10.969 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 -8.254 4.524 -5.134 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 -20.923 -1.327 -27.872 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 -0.976 4.896 22.350 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 0.020 0.955 -1.760 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 -10.438 4.715 4.128 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 -0.601 -2.477 -14.557 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 0.763 -2.493 -1.077 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 3.256 -2.121 -2.428 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 -3.442 -13.012 -4.539 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 2.466 8.264 -0.165 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 2.224 3.014 3.618 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 3.301 12.045 -5.114 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 -4.519 -5.287 -1.495 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 -8.233 -6.839 -2.237 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 0.950 -9.650 -11.798 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 -2.063 -0.060 3.324 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 2.109 15.101 12.940 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 11.190 0.251 -7.870 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 1.051 -0.026 -3.344 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 8.201 9.375 -0.936 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 8.570 9.140 -0.241 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 3.156 -3.284 5.866 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 1.808 0.962 4.745 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 10.155 11.191 8.947 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 7.541 2.874 -1.587 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 18.181 0.201 4.577 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 2.272 -7.670 2.269 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 -7.747 5.633 -0.763 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 -31.340 -11.685 -16.269 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 16.077 18.802 6.946 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 -1.468 -0.366 -3.710 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 2.603 1.048 8.156 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 -18.742 -5.297 -5.942 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 -1.356 -1.174 2.161 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 8.617 0.253 24.343 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 -11.694 -17.833 -39.113 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 -0.580 0.509 -3.138 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 5.743 -6.066 -3.867 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 -6.641 3.530 1.308 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 1.559 -6.287 6.158 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 -2.072 -10.508 21.329 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 13.731 9.326 30.670 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 0.315 1.528 2.694 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 -2.184 -4.606 -12.308 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 -3.849 3.892 9.128 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 2.152 5.784 -2.534 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 -0.416 7.422 8.573 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 9.440 11.447 -3.946 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 4.828 1.232 -7.266 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 -7.025 2.444 -12.511 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 19.080 -11.799 34.933 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 4.618 8.081 1.078 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 4.764 -8.268 0.703 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 -25.243 2.194 3.737 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 3.322 3.308 2.901 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 6.584 -0.786 9.838 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 4.685 0.461 -2.575 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 -5.857 -4.094 3.293 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 15.230 16.156 2.545 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 3.239 -8.638 18.455 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 0.762 -4.764 -2.651 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 6.463 5.351 -7.673 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 30.855 23.295 -5.253 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 1.459 -0.920 6.036 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 -5.269 10.312 2.654 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 6.619 -7.517 6.976 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 1.873 -4.604 -3.327 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 15.328 -6.609 -11.585 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 3.682 -29.802 -13.559 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 4.056 -2.092 6.500 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 -5.784 5.256 4.075 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 6.601 -0.595 25.207 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 3.046 -2.204 -1.369 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 6.924 2.315 -0.249 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 1.719 -9.360 -1.573 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 -3.800 5.431 -2.902 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 -1.308 2.326 1.895 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 -9.005 2.554 2.594 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 -3.908 0.612 -2.676 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 19.108 1.442 -4.058 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 7.160 -14.005 -11.813 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 2.346 1.978 -2.762 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 -3.962 4.873 -6.617 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 1.408 2.274 -2.723 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 5.971 -9.805 -3.458 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 -19.772 -38.687 37.461 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 -23.936 -20.084 -3.648 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 -5.820 -1.865 5.759 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 1.372 -11.931 6.096 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 -9.589 9.442 3.844 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 4.548 3.200 0.885 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 2.895 8.034 -3.154 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 -26.900 -40.525 6.582 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 1.697 0.761 -2.157 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 -15.352 4.512 -3.952 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 9.688 -2.445 3.851 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 -7.287 -4.668 -1.840 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 -2.167 11.743 -17.909 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 -2.085 3.031 -0.441 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 -7.034 1.295 -4.593 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 6.202 -0.194 -1.374 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 -27.174 29.250 -10.167 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 -3.872 1.589 -3.885 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 -1.364 -2.487 2.256 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 14.248 -0.180 6.117 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 4.646 -3.197 -0.121 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 -4.714 -7.807 -13.212 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 -16.831 -9.805 -0.781 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 -1.364 -2.303 1.604 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 -2.812 -8.253 -13.713 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 9.605 -4.830 5.512 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 -2.717 1.503 -8.043 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 7.084 -6.974 2.976 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 -8.952 -9.371 0.586 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 -5.397 -4.161 5.601 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 -7.149 -7.402 10.723 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 -2.395 -3.856 1.644 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 -3.160 -1.522 1.579 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 8.180 -18.446 5.827 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 6.542 4.561 18.484 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 1.178 2.742 -6.995 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 0.560 2.114 -20.319 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 -4.523 -6.593 -5.588 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 -5.510 4.152 1.699 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 -18.473 5.915 14.177 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 -42.451 8.471 7.744 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 0.419 1.071 2.559 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 10.638 -1.222 7.306 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 -6.277 -12.599 1.407 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 -3.895 -2.663 -4.490 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 -4.802 1.048 22.327 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 -0.242 2.841 -15.471 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 3.623 3.534 -1.317 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 16.186 -1.992 -20.636 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 1.601 26.423 -10.785 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 1.412 -4.371 -4.289 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 20.782 6.989 -0.684 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 -4.772 -11.002 16.851 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 3.039 0.922 -9.699 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 2.734 -1.601 0.710 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 -5.010 -8.712 -10.154 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 -6.958 -1.948 -0.864 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 -0.049 -11.296 -4.977 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 -12.290 13.132 7.609 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 -3.859 0.784 -3.424 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 -6.956 17.930 -5.684 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 -5.574 -14.782 0.479 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 4.264 -4.114 -10.452 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 3.995 2.031 -8.489 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 -12.007 -8.318 -17.303 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 -2.826 4.748 -5.902 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 -10.295 2.554 -20.903 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 2.591 7.317 7.302 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 -0.625 -9.027 -3.010 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 -15.675 -8.895 6.150 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 6.793 -6.398 -5.909 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 0.553 -3.313 -2.150 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 -9.065 6.905 -7.082 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 -8.647 4.666 -4.205 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 -1.362 -0.561 -4.302 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 -10.552 -8.682 -17.286 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 10.457 15.938 -1.801 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 1.628 1.376 -3.621 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 7.400 13.639 15.603 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 18.164 -15.667 -4.180 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 3.643 -3.216 11.487 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 -6.269 -13.924 3.006 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 16.658 1.820 13.793 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 -4.612 -4.612 3.088 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 25.605 -6.079 14.411 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 -16.564 -10.906 4.011 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 -1.077 1.538 -1.812 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 -20.422 -2.229 -0.268 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 19.297 8.970 25.599 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 1.066 -4.406 1.911 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 10.217 -2.744 8.823 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 -19.205 0.981 -19.555 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 3.678 0.972 5.244 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 22.345 19.581 -9.536 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 -11.161 13.424 19.855 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 -3.173 5.219 4.437 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 -0.715 -15.418 -23.823 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 -4.575 6.764 12.191 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 -2.119 6.726 -3.252 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 -4.041 15.180 -4.798 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 -7.082 13.379 -6.004 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 -0.776 -2.641 -0.829 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 -7.505 -16.974 -18.675 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 -9.953 11.194 4.101 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 -10.778 1.564 0.352 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 6.861 3.871 -14.984 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 -26.869 3.773 13.497 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 0.632 -4.990 5.607 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 -5.706 3.424 24.383 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 5.104 -12.145 -8.795 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 5.019 -1.247 5.136 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 -27.859 8.863 -8.718 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 7.999 -5.728 7.581 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 -2.737 -1.330 -1.535 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 -25.551 -3.595 16.659 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 11.902 8.184 -14.186 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 3.065 -6.212 0.395 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 1.013 -22.507 2.211 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 15.758 -5.738 -10.229 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 4.456 -0.474 5.983 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 -16.564 13.676 24.705 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 6.179 -3.117 -13.549 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 -1.020 0.874 -0.410 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 -16.249 2.203 -2.258 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 7.675 1.569 3.689 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 1.300 1.670 0.452 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 -10.509 -0.851 7.940 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 -0.119 9.858 12.502 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 -1.263 -1.601 -0.397 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 -9.225 0.013 -5.458 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 3.975 6.515 -0.265 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 -1.665 -2.951 -2.224 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 11.016 -3.013 0.211 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 3.108 -1.341 -2.216 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 -1.864 1.243 1.111 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 -3.831 -10.074 4.240 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 -21.281 3.632 -20.379 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 1.281 -1.451 0.194 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 8.419 5.284 4.997 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 -6.530 3.298 -2.445 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 -1.341 3.451 7.160 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 -5.983 14.480 29.417 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 -1.514 6.920 22.164 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 4.266 1.726 -3.239 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 -10.386 -12.873 -16.136 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 0.553 -5.108 19.583 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 5.071 3.951 3.996 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 -1.580 -12.304 -34.732 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 0.558 13.621 -15.432 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 -3.159 6.668 -2.208 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 0.332 -3.242 -8.028 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 -13.097 1.509 -30.380 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 -1.360 3.801 -9.230 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 -2.087 -17.497 -20.833 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 11.668 -5.094 -9.044 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 -4.474 -6.963 -0.210 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 14.624 -15.046 24.754 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 -3.730 -1.356 -5.634 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 0.192 5.509 5.015 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 4.873 6.626 7.650 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 2.889 7.860 6.058 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 3.982 -4.177 4.156 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 -3.224 -29.295 7.191 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 -0.797 -12.439 10.609 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 -1.936 10.378 4.609 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 -4.611 7.048 -7.882 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 4.603 19.576 -9.903 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 1.871 -8.666 0.615 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 -1.850 -21.762 -15.248 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 -28.905 -17.484 21.357 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 -4.672 1.656 0.164 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 4.329 6.309 24.233 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 -17.988 29.445 -6.913 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 -1.119 -0.656 -1.187 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 8.466 9.664 3.195 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 6.615 -32.487 17.226 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 -0.945 0.692 0.965 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 3.443 -12.026 18.238 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 -2.560 18.950 -13.288 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 -2.750 4.360 -3.129 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 -1.481 5.511 -2.045 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 -11.585 -0.167 -8.160 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 -1.868 6.594 1.879 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 -11.790 -19.696 16.373 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 10.432 3.149 -0.772 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 2.364 1.707 -3.341 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 5.446 -9.066 -11.468 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 4.510 13.163 -6.046 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 -3.395 -3.434 -2.807 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 17.880 -1.245 -6.775 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 -24.637 3.349 0.320 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 0.215 -2.265 1.557 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 2.315 4.300 -9.268 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 -15.945 1.693 5.780 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 3.231 -1.529 3.669 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 22.305 -11.318 15.678 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 -1.507 1.521 -5.366 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 10.935 -2.404 0.457 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 33.070 -10.759 12.795 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 1.092 7.893 -5.096 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 3.155 1.948 -3.450 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 -20.631 -4.997 -3.797 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 23.324 -2.239 18.234 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 -5.002 -3.834 -1.591 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 9.874 1.213 -20.157 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 -19.995 -3.580 9.652 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 3.303 0.457 -3.519 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 -8.722 3.583 11.624 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 1.757 3.648 -12.148 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 -6.472 4.644 0.297 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 -12.854 10.191 -10.022 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 0.480 15.354 2.413 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 2.923 3.402 1.816 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 7.980 2.657 -9.211 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 -5.379 11.470 9.295 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 -3.378 -5.409 4.011 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 10.059 2.326 4.513 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 7.328 -6.632 4.156 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 -0.904 -0.883 1.507 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 -22.248 -23.535 17.771 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 46.889 -2.203 2.688 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 -10.084 3.117 1.103 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 4.678 -3.445 10.052 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 -30.515 -13.898 -7.058 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 0.890 -0.328 0.277 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 5.718 10.484 5.950 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 -8.613 -0.970 9.530 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 2.573 3.322 0.896 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 1.267 -2.789 0.500 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 -4.071 -11.725 1.042 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 1.625 3.733 -5.765 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 -10.853 -3.287 -0.281 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 6.366 13.026 5.546 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 1.194 -3.017 1.134 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 7.738 -11.093 -3.293 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 1.319 9.767 -2.411 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 -1.021 -4.453 4.073 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 1.329 -2.024 20.116 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 -3.751 12.250 -26.350 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 -3.877 0.813 -3.336 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 -10.681 2.507 -9.080 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 -22.719 13.219 11.322 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 2.202 -4.258 -0.795 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 11.871 8.212 -11.339 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 11.106 4.974 -0.732 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 5.202 -2.409 2.888 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 25.727 8.872 6.758 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 -4.403 -6.422 -10.395 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 -2.655 -1.131 -5.227 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 -10.365 -19.087 -21.494 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 1.181 14.638 3.909 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 -0.711 -3.739 -4.584 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 4.741 3.191 -22.046 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 0.475 -13.650 8.289 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 -2.736 1.220 0.019 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 -2.812 5.424 -0.550 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 -23.962 -11.751 14.737 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 5.038 1.947 -1.559 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 12.379 -3.287 10.034 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 14.898 -11.350 0.677 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 3.803 1.151 -8.738 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 -0.198 -3.544 -6.953 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 10.812 -1.632 15.246 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 -1.535 -3.650 -1.878 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 3.125 -17.602 9.850 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 -4.178 -6.434 12.072 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 3.768 -2.017 -0.272 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 3.205 -15.736 8.655 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 -5.804 11.462 -31.798 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 6.328 -1.016 0.042 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 2.221 -2.490 -2.291 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 -3.205 -8.936 -3.486 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 0.044 -1.021 -0.464 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 -2.404 -4.129 -5.995 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 -29.954 18.387 -4.641 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 -1.303 -1.066 -3.045 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 5.065 -7.918 -5.804 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 -8.382 -9.951 -0.786 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 5.254 -1.314 -3.411 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 -5.669 0.345 -2.534 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 12.444 -15.640 -12.151 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 4.270 -1.712 2.697 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 17.691 -19.458 -10.701 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 -6.643 -6.434 11.350 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 -6.513 7.859 -0.342 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 16.150 -5.049 -0.644 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 6.617 5.347 18.461 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 0.319 8.393 -3.078 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 -7.753 13.104 -1.670 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 6.706 9.890 8.100 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 -1.814 -0.165 2.032 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 -3.908 12.216 -11.830 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 -4.218 -2.354 10.843 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 -2.864 -4.857 -1.803 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 -14.782 -0.532 4.675 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 5.942 -10.198 9.418 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 0.002 4.215 -1.732 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 -18.671 -3.094 -13.723 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 4.565 -7.740 25.802 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 -0.208 -9.000 5.011 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 1.728 -3.354 -0.797 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 -11.521 15.042 6.401 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 0.667 -2.580 0.733 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 5.361 -23.765 18.832 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 -29.981 5.064 -0.323 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 4.769 -5.499 -3.920 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 -3.006 9.672 -8.253 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 -0.969 13.804 -0.986 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 4.705 7.652 4.408 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 -21.732 2.266 -0.166 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 14.970 5.789 5.139 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 3.949 1.651 1.841 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 12.499 10.423 13.522 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 -7.280 2.900 -12.774 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 0.104 2.405 3.179 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 0.303 10.724 -23.495 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 10.036 -8.452 -1.735 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 1.118 2.277 -3.329 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 -4.638 -3.753 19.679 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 6.334 -19.479 -39.183 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 2.256 4.374 3.335 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 14.119 -4.580 8.677 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 28.304 -14.642 15.755 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 -6.685 -0.136 -0.122 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 14.166 22.532 6.396 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 -6.402 -13.813 20.380 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 0.204 -4.682 -0.960 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 -15.170 -7.110 0.667 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 -7.298 -10.391 1.809 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 4.444 -3.702 -3.826 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 -3.437 3.624 2.673 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 0.525 0.793 -3.811 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 0.353 -6.185 1.303 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 2.626 1.073 17.345 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 -7.009 -12.397 -14.211 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 -3.919 1.792 2.248 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 -6.553 -5.469 7.074 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 -10.752 5.703 1.234 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 -1.097 0.895 -2.897 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 -32.263 5.360 -7.507 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 11.564 0.604 -22.243 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 2.623 0.529 -0.855 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 2.498 1.986 14.551 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 6.781 -4.236 13.554 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 0.809 -0.416 3.095 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 2.054 0.245 3.485 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 0.111 -13.633 2.662 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 -4.360 1.022 -1.607 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 3.984 13.876 -4.267 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 -4.291 -7.447 12.312 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 3.862 7.748 -3.109 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 5.838 -4.692 0.479 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 -13.271 15.658 -8.968 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 -1.553 4.032 -0.574 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 -13.087 0.253 7.768 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 0.197 11.944 -7.198 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 3.353 -7.329 0.895 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 17.854 -34.199 -2.293 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 0.293 12.077 -10.104 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 0.523 3.415 -0.988 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 -6.670 8.318 -14.421 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 -1.046 9.882 2.765 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 4.016 -7.225 1.241 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 -19.155 -5.985 5.471 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 -11.639 -14.071 9.669 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 -2.161 -4.535 -4.371 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 -8.452 -35.047 11.726 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 -26.243 24.992 6.603 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 2.729 3.802 -2.399 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 -0.414 10.793 6.970 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 11.465 2.381 1.175 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 -2.160 0.997 -12.946 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 -4.381 20.402 -13.133 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 -1.215 -1.448 2.718 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 0.676 -4.310 -1.245 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 -9.654 -2.700 6.357 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 22.024 4.379 2.696 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 1.685 -4.567 2.114 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 -16.979 -3.395 -11.761 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 -0.987 3.002 -31.507 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 -6.670 -1.993 0.232 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 37.921 -13.241 13.728 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 6.067 -9.786 -0.328 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 -6.708 5.654 2.036 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 2.205 -11.451 14.114 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 3.838 2.420 2.622 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 5.801 -0.446 -7.488 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 -1.930 3.172 -6.942 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 5.073 -11.169 -6.545 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 5.587 7.236 6.908 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 -13.035 -21.311 -11.383 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 10.486 -6.109 -5.847 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 -2.201 4.648 -1.571 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 -7.091 8.815 5.099 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 -4.646 9.177 5.838 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 -5.868 -2.798 1.209 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 -6.304 1.177 8.217 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 -10.950 2.084 -1.127 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 -1.640 4.693 -0.130 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 8.555 -14.248 -32.557 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 -4.683 6.919 18.377 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 0.785 3.091 -3.740 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 12.592 -1.284 -25.967 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 1.793 3.962 -0.380 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 6.664 -1.638 -2.554 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 13.904 6.076 24.746 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 7.407 11.944 8.759 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 -0.405 0.643 -8.094 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 3.677 -14.529 -3.547 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 4.926 4.197 3.212 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 1.015 -0.839 3.530 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 11.545 -1.622 19.551 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 -1.917 -6.978 -17.671 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 3.765 2.924 1.527 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 7.693 -1.772 16.261 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 15.796 18.867 -1.793 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 0.313 -2.875 -3.080 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 9.752 -5.438 -13.514 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 -8.415 10.853 2.417 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 -4.006 1.874 5.916 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 -3.301 -12.967 8.948 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 11.863 3.257 6.459 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 -8.463 1.508 -0.370 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 5.937 7.480 -2.220 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 -10.803 2.560 2.980 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 -1.625 -3.301 -4.263 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 7.243 -0.412 -0.294 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 -9.069 -16.476 -20.303 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 3.398 -0.605 7.026 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 -0.986 -8.825 2.804 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 -0.868 -2.070 6.103 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 -3.301 -0.211 0.317 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 -19.329 -11.229 15.016 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 -10.530 -6.536 6.665 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 -1.411 -2.371 4.262 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 -13.977 -28.100 28.638 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 2.366 3.962 -2.320 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 -1.917 -4.209 -4.245 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 -1.550 14.278 -13.396 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 4.997 -0.035 14.220 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 6.406 -2.432 6.846 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 34.113 -10.131 -11.097 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 5.009 3.395 9.551 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 0.331 6.726 -2.430 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 -15.515 -13.633 1.400 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 24.597 -7.887 -4.537 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 -2.396 -1.126 -3.520 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 -18.417 15.642 -18.429 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 -10.141 4.619 -4.950 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 -1.007 1.817 -7.164 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 -5.965 4.899 -9.237 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 -5.570 -7.711 -14.434 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 -8.040 -0.545 1.993 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 15.793 10.555 -20.781 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 -0.374 6.771 -20.142 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 -0.501 -0.378 -2.024 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 17.440 2.692 2.883 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 -10.216 -0.636 2.238 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 0.136 3.030 0.420 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 -2.517 0.106 6.281 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 -9.093 7.194 15.486 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 4.616 -3.489 -5.433 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 4.088 1.181 -6.077 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 1.468 -9.843 5.872 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 -6.330 4.708 1.440 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 -16.470 5.569 10.454 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 -7.691 -9.604 2.407 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 -7.822 -0.568 -1.691 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 -12.491 7.657 6.658 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 -9.836 2.694 1.993 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 -4.967 -2.993 -1.889 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 -3.893 3.185 -13.195 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 -36.741 8.265 8.170 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 7.190 1.910 3.250 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 -21.931 23.374 10.479 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 -14.197 22.757 -9.306 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 -6.923 6.300 2.738 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 -3.227 -13.954 -1.808 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 -2.824 -15.622 -2.914 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 -5.064 0.012 3.698 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 4.712 7.751 0.519 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 7.771 0.872 0.641 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 3.753 1.037 3.162 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 -21.762 7.934 -4.016 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 -15.741 26.044 -5.654 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 -2.385 1.841 -3.874 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 -0.073 -7.086 -2.110 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 -3.843 16.937 -31.903 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 -0.319 3.456 3.409 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 0.861 9.010 -1.416 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 4.563 -13.110 -17.280 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 -2.888 -6.459 -3.870 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 9.657 -1.566 -7.215 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 5.006 -11.377 -5.337 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 0.985 -4.094 2.391 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 9.626 7.301 8.988 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 10.735 -12.663 -7.731 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 1.401 -0.030 -0.361 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 5.145 -5.103 -0.659 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 5.197 11.273 -3.626 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 -2.517 -11.390 -0.506 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 -3.754 -9.542 1.648 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 -2.238 -14.965 -2.968 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 0.577 -3.648 7.548 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 -4.069 11.479 -13.128 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 -10.099 13.153 -10.366 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 0.926 1.468 -0.251 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 3.099 -9.220 -20.132 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 0.226 8.782 13.413 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 4.388 -4.351 -1.899 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 14.674 -25.636 -10.667 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 -7.618 26.036 0.350 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 -0.571 -3.589 -4.839 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 -2.209 -17.520 -3.400 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 -2.140 -15.150 12.944 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 -1.707 2.298 -2.330 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 -15.402 8.929 -7.372 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 -13.648 11.948 2.537 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 -4.116 -4.212 3.106 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 -4.143 -20.938 16.977 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 -6.407 7.238 12.573 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 7.814 4.033 8.583 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 -25.539 27.103 -1.214 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 6.512 -9.976 -15.932 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 -2.776 -1.882 -0.616 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 20.231 -7.956 -14.909 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 -16.831 -23.213 -3.646 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 1.350 -0.567 0.458 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 2.847 -13.400 10.338 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 2.482 -4.306 -22.749 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 1.228 -1.664 -1.266 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 -12.393 5.992 -6.242 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 -0.167 -13.025 5.354 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 -0.398 1.907 3.561 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 -7.484 -2.928 -0.861 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 -16.223 10.334 3.704 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 1.319 3.183 3.352 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 -8.545 -5.033 -9.125 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 12.699 5.139 12.763 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 -4.730 2.584 -6.546 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 3.170 -6.805 -7.476 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 1.546 13.077 -5.352 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 -1.996 5.976 3.572 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 6.579 -4.614 15.951 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 -6.065 10.490 -1.577 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 2.705 -5.420 -0.405 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 -8.455 -10.879 2.554 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 -15.016 2.915 -14.764 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 2.856 -2.722 -0.224 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 -1.655 1.590 -10.601 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 -10.875 10.347 -33.235 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 -3.529 7.792 4.376 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 -8.128 7.950 16.116 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 -19.565 20.928 7.027 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 -3.349 1.611 -1.443 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 4.268 4.423 -16.517 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 9.269 0.345 10.602 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 -3.787 -5.457 -1.324 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 -10.675 20.703 -25.971 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 -5.929 3.024 -9.888 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 1.447 1.966 -4.669 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 2.029 9.070 -0.014 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 0.814 1.374 3.551 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 -1.130 3.414 0.253 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 -26.379 -2.584 5.378 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 14.835 -16.605 -15.605 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 -0.654 -3.457 0.414 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 -1.734 15.786 9.870 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 -17.640 -3.694 14.329 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 -1.402 -5.117 -0.195 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 0.885 -0.150 0.203 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 -1.476 -4.981 0.108 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 -3.891 3.210 0.407 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 -3.599 -3.184 -0.283 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 -18.898 10.037 3.877 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 2.489 2.675 2.884 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 2.600 -8.375 5.629 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 6.509 -21.964 11.382 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 1.269 -2.389 4.787 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 5.529 -6.205 -6.366 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 4.420 8.343 -0.818 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 0.490 3.175 3.961 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 -0.568 9.474 5.413 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 -1.953 30.984 14.437 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 2.565 -5.465 1.921 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 -0.655 5.967 8.066 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 5.271 -11.651 -0.839 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 -10.897 4.718 -0.396 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 -14.022 -6.360 -14.579 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 -6.708 3.450 -6.087 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 1.934 -6.920 -3.152 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 -5.428 4.337 -0.831 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 8.992 -13.325 -3.996 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 2.773 -3.213 -3.663 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 18.980 -12.448 -12.584 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 -6.935 -8.649 -8.307 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 -2.987 -3.947 -0.153 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 3.778 -9.057 -20.773 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 -1.032 -22.742 10.199 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 -2.051 -0.523 4.822 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 -11.171 0.900 19.546 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 2.231 -2.892 -4.765 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 -0.009 -1.291 -3.823 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 -13.412 2.084 4.839 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 -2.506 2.112 -7.346 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 4.307 0.443 1.498 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 -15.729 -9.502 -18.591 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 8.166 21.073 -11.896 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 -0.674 -1.102 -1.185 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 4.063 0.525 -3.329 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 -7.425 -2.941 1.855 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 -2.481 1.166 -4.638 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 5.498 2.103 -12.681 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 0.028 -17.241 -5.652 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 4.888 -0.698 -3.974 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 16.318 -5.705 -2.317 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 -0.743 -9.982 -10.595 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 4.051 5.453 0.792 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 -5.476 7.668 6.394 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 17.603 -6.724 1.463 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 0.881 5.377 -2.917 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 9.213 9.771 8.308 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 1.195 10.276 5.467 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 -2.813 -5.760 0.354 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 4.944 -9.350 -3.546 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 -0.075 0.655 7.494 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 -3.456 -4.694 -2.209 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 0.650 -1.268 -4.457 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 -1.122 -7.037 -10.120 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 -7.124 3.866 -0.076 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 -0.052 7.721 4.496 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 -7.166 10.414 -14.325 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 -1.988 0.896 -3.036 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 2.426 -26.760 7.892 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 -2.088 5.963 -5.146 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 -2.238 6.496 1.249 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 -17.806 -3.414 7.444 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 12.594 8.037 18.433 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 1.495 5.782 4.030 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 -10.873 25.106 20.618 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 16.899 -5.169 -15.603 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 -0.770 -9.941 5.595 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 -3.864 -20.756 14.217 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 -3.354 -14.956 1.590 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 -5.437 5.246 9.510 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 2.346 6.826 0.778 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 -7.954 6.218 13.331 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 -5.175 -3.519 0.912 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 -6.216 -4.652 2.444 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 -14.679 -8.981 12.872 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 -1.047 1.374 1.615 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 3.531 25.014 0.002 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 -3.231 -1.642 0.371 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 -1.042 1.199 -1.810 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 -1.499 18.711 -11.641 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 2.821 -12.926 3.961 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 6.397 5.051 0.959 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 -5.962 1.653 10.502 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 0.106 25.383 -5.851 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 2.795 0.474 0.333 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 -8.007 -3.346 31.713 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 -4.059 7.157 -6.517 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 -1.003 -2.797 -0.609 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 -18.222 8.045 9.291 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 26.391 2.965 1.811 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 4.930 -5.009 -1.831 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 -6.737 0.840 -19.202 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 12.918 14.354 8.059 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 -1.373 -0.346 2.693 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 8.307 -0.356 -54.858 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 18.776 -3.118 0.490 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 7.003 -3.118 -7.645 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 -23.470 -15.947 -26.039 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 -12.098 2.514 -11.524 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 -0.932 -0.241 1.326 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 -0.840 0.120 3.010 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 -15.912 -9.914 20.642 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 0.587 1.233 -2.380 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 -0.321 0.956 1.642 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 -1.992 -3.328 5.424 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 -3.667 -6.734 -2.415 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 -18.723 -10.646 -5.430 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 29.291 1.631 5.123 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 2.274 1.781 4.477 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 -0.093 10.719 8.883 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 -11.194 -4.174 -2.332 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 -2.680 -0.748 -1.288 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 2.558 -18.052 -20.478 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 -2.365 12.412 8.300 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 -0.070 6.343 2.617 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 2.376 9.306 1.957 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 1.935 8.002 5.428 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 -2.194 -7.618 6.071 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 -8.768 -16.468 -5.766 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 6.908 -14.606 10.723 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 -1.520 3.731 -2.275 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 -9.767 -16.320 -0.257 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 10.135 17.903 3.534 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 -0.518 2.923 -3.323 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 4.488 -14.805 -2.889 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 8.124 -37.874 16.075 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 -0.590 -6.615 -1.067 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 23.145 -13.475 0.162 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 -4.777 4.520 15.851 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 6.903 0.440 1.111 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 4.964 9.707 -0.200 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 2.257 4.827 2.752 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 1.356 0.890 5.022 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 -0.062 -5.006 1.541 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 -9.968 8.708 7.828 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 -3.859 2.500 1.255 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 2.128 -10.990 -10.361 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 -10.470 -15.086 10.474 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 -9.606 -5.922 4.095 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 -10.938 5.611 5.223 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 -8.586 -6.153 -7.939 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 1.628 -3.929 1.480 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 19.403 14.818 4.312 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 33.145 -12.707 -4.316 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 -0.871 5.565 -0.744 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 14.249 -1.584 -22.728 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 -12.022 12.375 10.436 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 -0.242 2.644 -0.778 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 -10.723 0.272 -3.981 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 -14.341 7.525 4.364 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 3.469 -2.032 -4.134 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 -11.954 24.316 -13.539 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 5.303 -2.972 -6.378 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 5.148 -3.050 -3.062 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 -6.703 5.170 13.054 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 0.460 -6.416 -10.451 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 -1.340 9.420 -2.987 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 -14.576 -9.084 5.837 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 -4.156 -15.757 4.048 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 5.785 5.697 -2.449 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 -18.055 5.036 -9.390 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 16.981 -15.067 15.032 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 -4.583 -4.174 11.109 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 -4.049 1.410 -3.943 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 1.289 -2.455 17.054 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 5.705 -1.576 1.557 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 5.195 6.773 -2.643 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 -3.473 4.836 4.661 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 1.301 3.644 -1.859 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 0.297 17.755 -11.514 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 3.932 -0.173 10.703 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 -2.715 1.427 -1.576 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 5.026 4.118 -4.473 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 3.309 12.831 -9.482 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 -4.776 -4.083 1.722 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 -0.223 -0.385 -3.728 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 -8.976 -5.494 2.769 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 1.059 -4.351 3.734 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 -12.074 -16.031 -19.165 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 0.495 -3.916 9.156 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 -0.314 2.688 -3.929 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 2.673 0.838 -12.404 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 -1.948 6.018 -2.603 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 -3.456 -5.052 -3.273 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 1.129 -16.834 -16.409 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 -1.496 -14.790 12.627 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 4.944 1.578 1.307 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 19.324 -21.022 7.513 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 28.020 -26.298 -16.580 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 5.078 4.248 0.275 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 9.184 2.470 14.639 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 6.070 19.439 -5.763 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 -1.654 2.226 4.470 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 -16.045 3.336 13.300 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 4.311 -6.034 11.287 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 -6.683 1.807 2.282 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 18.799 10.167 -15.286 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 -4.498 26.031 -6.751 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 -1.724 13.009 -0.975 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 5.599 26.166 3.690 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 -11.887 7.981 -12.773 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 -1.260 3.096 -1.750 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 6.629 -7.239 15.501 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 1.976 -0.853 -14.607 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 3.757 -5.479 3.544 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 -0.979 -0.224 8.671 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 0.437 -9.014 2.183 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 5.342 1.147 -0.875 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 4.238 -4.261 -8.568 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 10.153 -11.362 -12.484 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 -6.297 -4.976 0.219 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 13.077 0.964 7.342 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 -2.169 -22.456 -10.209 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 -4.004 -5.818 7.130 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 11.519 -13.659 3.926 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 -2.542 3.256 22.283 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 2.424 0.679 2.347 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 4.468 1.401 0.832 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 18.178 11.559 -4.413 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 2.110 4.350 -0.831 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 0.899 -3.344 -4.661 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 -4.766 -17.247 -11.323 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 4.742 -0.080 4.233 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 2.243 -33.836 16.286 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 2.485 35.421 16.131 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 -3.228 -6.340 -5.725 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 -4.192 -11.275 -1.501 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 -5.851 -9.524 -4.261 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 -4.107 3.309 -4.676 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 -1.809 -1.274 -13.971 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 4.803 -16.242 -9.213 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 -1.088 -1.037 1.548 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 -1.156 -14.717 -4.522 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 10.897 2.306 1.452 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 -0.427 1.444 -0.777 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 -15.782 -18.990 19.649 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 -25.417 15.669 -14.918 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 -0.622 4.645 0.144 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 -15.750 -22.972 -16.751 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 1.133 -0.197 31.543 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 1.451 -1.373 9.726 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 -5.400 6.680 17.543 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 -15.689 15.951 -0.228 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 2.269 -1.770 2.721 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 -7.802 10.997 9.185 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 -4.192 2.360 -13.875 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 1.617 3.599 -5.171 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 -6.745 3.353 -12.881 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 22.112 -0.501 3.178 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 5.174 2.216 -0.863 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 9.008 2.830 -15.734 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 -10.324 -3.271 -3.402 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 -3.759 0.923 -1.862 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 -3.561 -7.485 1.932 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 -2.931 14.733 -11.176 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 0.646 2.198 2.201 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 2.087 2.389 7.107 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 10.250 9.892 4.907 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 1.599 -3.067 5.304 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 5.447 17.763 1.238 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 2.468 -14.239 12.629 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 -1.332 3.457 2.201 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 -2.206 3.232 2.647 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 1.176 2.619 10.575 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 3.657 -2.131 -1.977 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 11.362 -0.396 -0.731 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 4.945 -9.708 -2.917 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 1.825 -4.651 4.469 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 14.744 -24.239 27.464 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 11.264 -13.326 4.699 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 -2.293 -4.923 1.065 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 -12.624 12.281 -23.610 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 13.699 -10.413 2.275 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 -2.100 -2.088 4.325 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 -2.585 4.374 -7.086 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 3.711 -24.472 31.038 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 -1.121 -3.080 -0.308 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 9.215 7.344 5.964 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 5.423 -6.113 -13.533 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 -3.795 0.822 0.324 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 -0.745 -1.432 -5.946 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 -11.956 -2.832 -9.095 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 -5.303 3.324 -0.860 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 -1.256 6.203 2.713 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 -9.373 8.874 -2.132 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 -3.410 1.855 -0.330 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 23.173 2.485 5.071 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 -24.863 -13.077 3.821 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 -1.985 -1.024 1.919 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 7.101 17.046 20.848 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 -2.024 -15.163 -11.450 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 6.679 0.095 2.888 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 5.622 -0.830 -15.830 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 14.646 17.578 4.712 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 -2.593 1.385 0.795 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 10.206 1.546 11.728 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 -4.635 5.086 10.762 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 2.566 -2.339 -2.719 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 4.034 9.695 -5.590 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 11.803 -20.885 -4.924 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 3.108 -5.572 0.527 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 -2.051 -3.864 -4.164 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 -13.701 -21.608 0.611 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 -2.231 -5.258 6.360 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 8.379 1.212 15.078 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 9.943 -7.651 3.784 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 1.800 -4.620 -1.278 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 -0.446 -6.442 -2.776 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 -6.269 -10.020 13.491 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 -5.869 0.503 3.867 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 7.460 10.436 20.861 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 -17.058 -8.483 9.408 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 -3.229 -5.512 0.498 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 -5.171 7.208 29.800 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 6.324 -19.478 -12.105 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 0.372 -3.217 -3.463 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 25.790 26.682 -23.706 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 -12.279 8.512 -1.966 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 -1.286 -1.347 8.628 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 7.165 14.878 8.974 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 12.884 -13.419 8.574 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 -7.308 2.554 -2.331 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 -10.113 8.752 -7.354 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 -6.416 17.759 -4.511 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 -2.450 2.178 3.833 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 11.953 -0.813 8.114 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 -10.054 -5.828 14.035 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 -0.415 0.434 -7.511 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 -7.855 -5.878 14.495 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 -3.610 1.404 -10.581 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 0.262 0.696 2.381 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 4.424 -4.875 12.785 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 -0.084 1.696 -13.721 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 1.014 0.381 -1.742 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 13.287 11.522 29.848 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 -13.857 7.745 23.568 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 2.074 -1.437 3.017 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 5.283 -0.448 0.184 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 -13.238 1.212 -0.566 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 -1.816 -2.362 3.643 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 7.702 2.738 -9.921 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 -10.554 -12.800 -3.680 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 1.463 2.786 -2.626 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 -11.975 4.927 4.992 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 1.006 6.016 1.269 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 -2.405 -5.144 1.983 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 5.821 6.782 1.645 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 15.583 -5.821 21.361 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 1.081 2.094 -3.316 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 2.364 -1.974 0.027 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 -11.198 -0.670 -25.241 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 10.768 -1.303 0.532 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 6.778 1.880 -2.133 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 -7.986 1.173 -4.153 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 0.467 -4.927 -0.506 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 1.757 -6.008 -1.045 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 -15.959 32.187 15.805 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 -7.344 2.768 4.639 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 -16.423 -11.826 -6.523 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 0.944 14.485 -14.112 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 -2.781 -6.761 -0.043 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 -34.243 -2.661 -3.539 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 26.251 24.497 4.914 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 -2.201 0.577 -0.654 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 -6.256 1.791 -16.334 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 -15.259 20.757 -8.454 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 -5.778 -5.504 -3.727 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 -13.350 -17.534 -15.246 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 6.913 7.531 -0.459 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 0.457 9.486 -1.477 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 13.289 16.114 -6.589 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 19.383 -2.926 5.457 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 -5.530 -1.175 -2.454 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 -11.434 -13.238 -22.383 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 -3.201 1.536 5.121 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 2.688 1.169 4.762 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 -4.540 2.862 -7.931 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 11.341 -10.304 2.688 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 3.802 -3.664 0.233 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 8.079 -18.405 -6.879 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 9.809 -1.598 3.343 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 -6.403 5.020 0.911 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 16.262 1.594 11.840 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 -15.372 13.643 -0.401 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 -0.770 -0.840 1.061 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 5.099 -46.757 -3.924 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 -11.863 3.413 -10.812 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 6.558 6.276 2.501 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 17.273 18.487 -4.179 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 4.011 2.660 4.398 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 4.805 6.916 0.505 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 2.223 14.906 14.670 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 -12.441 -0.010 -11.681 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 -5.957 -2.679 -3.818 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 -6.173 -3.421 15.185 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 6.813 6.325 -26.822 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 -0.311 0.918 4.315 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 8.928 1.273 -0.482 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 28.861 5.505 0.163 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 4.918 -2.388 -9.329 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 -6.463 -9.996 -3.373 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 7.270 -4.914 2.481 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 6.514 -6.520 2.452 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 2.875 -5.048 5.725 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 2.336 6.291 1.430 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 -4.529 5.179 5.962 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 -5.681 1.098 2.159 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 -5.484 -7.207 -5.091 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 -3.770 1.746 7.579 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 -4.917 -3.076 10.532 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 2.963 11.189 3.274 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 -0.356 2.824 -2.355 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 8.151 12.816 -5.307 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 -1.255 -18.498 21.925 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 2.475 3.808 -8.713 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 -3.172 5.528 -17.328 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 -7.957 -18.891 -5.044 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 4.816 -0.581 -2.616 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 7.480 4.246 -0.870 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 7.401 5.493 -5.052 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 -2.717 -1.984 5.820 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 6.052 -8.418 -8.575 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 3.336 14.114 8.011 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 -5.370 -5.151 1.042 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 13.884 -9.939 29.077 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 -2.067 9.965 -11.902 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 4.552 -0.982 -5.862 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 6.079 -1.135 -7.604 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 3.461 -0.417 -7.450 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 -5.426 0.999 -1.455 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 -11.858 -8.795 13.279 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 24.230 -13.070 -14.831 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 -1.028 3.215 -3.416 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 14.345 1.590 -8.406 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 -4.864 -4.895 -17.526 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 -1.072 -2.314 -5.599 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 -18.434 -7.883 -15.004 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 -10.711 -1.281 -13.045 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 8.847 -1.416 0.084 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 9.940 12.394 1.022 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 5.242 -27.020 9.056 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 -2.742 2.884 -2.164 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 -22.419 -13.580 -5.856 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 -0.589 3.816 5.430 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 -7.670 -2.266 -5.925 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 -4.383 1.426 -1.593 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 4.181 13.143 5.412 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 2.583 1.821 3.459 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 20.294 3.503 -5.583 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 -9.083 0.817 6.308 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 2.150 -2.983 -0.987 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 -13.077 12.076 -21.040 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 2.150 -1.559 11.142 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 -2.921 -1.126 -4.305 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 -0.378 -16.609 -6.335 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 11.544 4.045 1.232 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 3.146 1.375 -0.501 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 14.277 10.547 -24.260 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 -6.632 -20.543 -6.484 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 0.786 -5.525 -3.026 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 0.641 13.687 0.791 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 1.820 -1.209 15.779 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 5.186 -2.967 -3.699 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 2.757 -8.424 -10.597 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 5.689 0.289 1.716 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 -1.793 -0.672 2.280 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 -1.396 0.253 1.117 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 14.934 -7.207 2.337 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 -3.617 -1.786 -0.092 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 -7.248 -0.719 -2.908 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 -2.105 -2.753 0.685 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 3.139 -5.932 -5.228 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 14.631 0.739 4.140 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 -5.958 7.725 -12.614 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 -4.813 -1.600 -4.733 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 12.143 -1.965 11.967 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 -2.043 -15.546 32.299 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 -2.100 1.223 -3.271 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 -3.286 -7.704 23.570 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 -11.953 -40.221 -2.842 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 -3.780 0.755 -7.017 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 5.543 -28.381 -15.018 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 -34.530 8.477 -9.269 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 -10.689 -7.843 -0.912 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 -13.546 -0.948 -5.515 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 -4.302 -12.275 -5.884 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 4.380 4.343 9.556 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 10.038 -2.913 -3.586 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 0.877 7.886 11.473 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 -1.509 5.980 -8.871 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 -25.219 9.438 -10.220 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 22.780 -14.114 -4.001 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 3.981 3.544 2.592 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 -7.398 4.165 2.324 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 6.610 2.679 -8.397 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 -0.291 0.943 -4.271 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 -2.122 -6.169 12.117 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 -15.226 -7.509 -16.902 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 -3.600 1.255 2.361 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 -11.657 0.855 -1.675 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 19.586 -0.651 6.352 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 -0.895 -1.928 3.590 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 -2.458 -2.702 -0.351 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 -4.674 -5.200 -6.044 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 -4.616 1.687 -0.461 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 -15.131 -1.386 10.328 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 13.528 8.307 19.582 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 0.924 2.404 4.696 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 6.167 8.995 7.237 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 -7.181 -0.721 5.698 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 2.102 6.398 1.807 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 3.312 15.237 7.068 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 -31.061 -19.084 13.235 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 0.135 -1.544 2.942 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 -3.402 11.343 16.962 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 0.159 7.911 -16.245 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 -8.454 -0.101 0.540 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 -10.892 11.075 -1.238 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 18.789 -5.018 5.303 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 -1.410 -3.277 0.545 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 0.016 -4.588 -0.502 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 -13.972 -21.170 -15.598 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 2.534 5.414 0.499 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 40.133 -10.796 -19.114 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 5.888 18.912 -4.558 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 -3.996 0.311 2.585 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 -12.844 4.057 0.195 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 -16.665 11.201 -9.230 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 1.486 -5.067 3.753 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 -5.008 -14.304 -2.622 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 3.755 -0.125 7.973 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 -2.547 0.637 2.843 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 7.423 -13.925 -6.116 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 -16.303 7.226 -9.530 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 5.288 -0.627 -5.535 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 -2.317 0.473 -14.898 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 3.044 -17.713 1.832 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 -2.460 -1.929 7.399 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 -0.084 -8.080 7.866 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 -0.722 -5.984 1.176 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 3.319 -9.274 -0.508 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 9.262 -11.583 0.996 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 13.113 0.320 -4.539 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 3.555 1.326 1.966 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 18.784 -9.906 8.984 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 31.369 -9.985 3.224 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 -7.201 0.106 -9.479 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 -12.087 -9.012 -4.064 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 10.533 7.264 -7.424 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 0.013 -3.257 -5.408 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 3.731 15.596 4.804 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 -13.169 -0.195 0.422 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 0.513 -2.925 3.376 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 -0.586 5.529 -5.589 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 -5.344 1.350 15.284 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 0.987 6.104 -3.739 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 6.432 31.046 1.874 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 15.538 3.121 9.039 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 7.450 -1.979 1.153 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 -7.100 -5.308 -18.070 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 -5.389 -8.330 20.515 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 -1.009 -2.761 -3.875 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 -1.543 -3.553 -6.788 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 -3.606 -3.669 15.146 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 -0.558 -0.751 -3.627 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 -1.904 -7.910 3.164 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 10.409 -3.743 3.852 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 -9.594 -1.524 3.095 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 4.456 12.251 4.520 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 -2.316 2.883 -1.087 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 -7.501 -1.746 -3.001 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 23.854 14.411 6.693 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 -5.079 -19.271 -13.102 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 1.274 -6.834 7.915 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 -4.032 -4.313 8.664 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 -1.400 -11.312 13.567 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 -7.703 2.252 -1.732 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 -6.124 8.047 -10.619 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 1.202 3.572 4.847 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 4.935 -5.866 3.739 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 15.442 1.071 1.878 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 13.516 4.493 2.811 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 -1.016 -5.782 -5.406 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 -10.827 10.171 5.737 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 12.664 -19.778 28.469 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 0.369 3.489 1.836 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 9.972 11.873 -0.099 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 5.557 -5.957 -21.007 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 0.550 -2.623 -0.019 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 -17.835 12.841 -0.728 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 13.019 -13.302 -0.237 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 0.140 -1.642 2.097 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 10.727 -4.383 4.156 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 6.425 0.724 -1.857 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 -2.383 -6.285 3.250 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 -6.819 6.674 -11.377 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 1.559 -8.734 11.344 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 1.653 7.992 -1.283 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 -13.988 -5.982 17.284 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 12.785 19.985 1.615 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 4.949 6.112 -0.407 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 1.383 12.859 -2.476 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 6.791 5.118 -0.176 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 1.251 -2.915 3.378 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 -11.271 0.048 4.989 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 13.674 -1.485 3.805 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 0.821 -0.670 -0.747 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 10.378 -2.020 13.688 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 -12.612 7.418 9.474 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 0.967 5.999 -3.951 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 -5.744 6.988 11.030 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 2.627 5.545 4.950 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 5.335 0.480 -2.091 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 -1.706 3.740 -3.911 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 14.801 -1.672 -4.111 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 -7.182 1.475 3.613 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 -7.241 10.140 17.177 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 -0.012 -3.591 7.425 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 4.174 -6.688 1.129 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 -1.402 -5.373 7.372 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 18.862 8.888 2.188 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 -4.401 5.554 -0.869 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 -8.910 -18.906 22.531 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 -10.865 -4.439 -24.373 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 5.653 1.082 -3.290 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 -5.198 5.873 -3.368 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 27.219 -3.881 -25.153 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 -4.637 2.758 2.242 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 9.248 12.352 1.395 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 -0.814 6.373 -1.522 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 3.845 2.267 -7.116 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 -20.601 9.338 -7.584 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 -6.292 13.189 0.278 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 -4.672 0.182 4.993 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 -20.172 22.784 -4.016 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 -15.640 -6.639 11.199 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 -1.734 1.578 -3.962 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 12.999 -4.583 17.318 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 -11.179 19.451 7.071 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 -0.630 -3.743 -3.713 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 1.391 -6.549 -3.227 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 -5.714 4.423 -3.999 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 0.837 -0.569 5.886 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 8.117 -6.068 4.854 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 -1.555 1.621 7.386 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 1.486 5.740 1.957 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 -20.056 -7.489 -9.245 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 -3.781 -0.090 -6.298 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 3.718 -6.425 3.395 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 11.733 0.394 -11.012 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 -6.051 -7.542 -14.873 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 -2.358 -8.290 -5.481 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 -12.748 -3.868 -9.055 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 -13.188 8.025 -38.381 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 -4.360 -2.667 -0.519 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 27.744 2.332 -0.633 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 1.642 -3.068 12.433 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 -2.466 7.639 7.174 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 16.797 18.576 18.220 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 4.562 14.743 -26.084 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 -3.006 -1.809 -0.669 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 -0.194 22.341 17.114 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 -2.024 7.676 15.315 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 0.675 -2.156 2.033 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 15.406 3.178 2.958 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 -26.401 -8.166 11.568 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 2.997 -5.013 2.126 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 -7.482 -5.036 -4.848 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 6.828 4.562 5.893 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 3.576 3.512 0.164 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 2.699 4.650 10.225 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 -5.850 14.705 0.114 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 0.701 2.972 3.386 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 -3.730 10.989 -8.600 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 -0.946 15.599 0.756 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 -7.504 0.601 3.962 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 -8.637 -2.925 -5.373 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 -8.762 -2.016 -1.680 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 5.573 -6.017 -0.871 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 5.939 -14.099 -0.201 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 -0.395 -10.144 4.946 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 -6.934 8.729 -3.227 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 -4.390 17.835 9.495 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 7.577 -16.146 4.236 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 -3.735 -3.653 3.610 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 -6.838 -6.025 1.030 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 -5.450 0.224 3.392 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 1.917 0.825 4.062 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 11.492 2.949 -6.536 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 3.164 -17.582 3.913 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 4.476 -4.516 -0.080 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 22.953 -19.670 -24.378 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 3.627 0.094 -6.339 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 -4.670 -0.737 -6.002 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 -6.974 -2.221 2.277 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 -8.057 -4.487 -7.180 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 -4.469 -4.045 -3.522 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 -1.589 7.620 -9.401 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 15.845 -14.442 -1.679 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 0.020 1.621 -6.592 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 9.606 -8.023 -2.778 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 4.984 9.336 1.597 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 -1.068 -5.887 -0.273 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 -1.243 -5.505 -2.450 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 -5.114 10.089 -1.802 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 -0.748 0.050 2.504 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 -0.989 9.942 0.824 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 13.671 6.706 -1.591 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 -1.550 -1.001 1.802 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 0.624 -0.463 1.305 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 2.074 -15.702 -5.597 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 -0.893 -1.765 -3.168 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 0.316 5.463 -12.760 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 -8.034 -22.307 -7.337 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 7.414 -2.285 4.648 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 -9.497 -21.843 -2.545 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 -1.545 -6.066 -1.503 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 1.534 0.834 -0.680 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 -7.144 6.339 8.948 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 -6.009 -5.579 0.800 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 7.206 -3.045 -1.255 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 -15.723 13.789 23.823 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 20.709 14.251 -3.031 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 1.034 2.318 -5.286 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 -7.316 18.657 -10.104 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 19.070 7.738 -2.096 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 5.746 -1.942 1.496 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 -13.806 35.270 8.286 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 1.183 -0.296 1.788 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 -4.639 2.199 -2.649 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 -9.103 4.647 -4.618 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 -2.295 0.823 -1.205 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 -9.393 -0.478 -2.122 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 -11.281 -2.233 1.118 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 3.666 14.969 -25.481 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 -5.978 -0.077 2.958 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 -11.439 -5.140 16.304 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 -5.410 -13.080 1.910 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 -4.261 1.573 -0.511 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 15.712 3.959 -0.307 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 34.177 4.137 5.727 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 0.388 -0.035 2.982 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 3.072 2.827 18.870 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 7.729 6.863 -0.082 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 -0.966 3.132 -3.237 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 -6.250 -19.417 -12.584 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 12.994 11.459 16.046 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 -7.833 -2.851 1.398 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 -7.291 0.100 -0.146 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 -8.428 -0.094 4.403 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 0.576 -1.951 -1.942 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 -14.045 16.507 -7.001 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 14.867 -14.899 9.283 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 -5.802 0.154 -0.439 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 12.225 -3.527 -0.799 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 -16.356 -4.086 13.542 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 0.047 -1.494 4.415 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 -6.718 3.188 8.274 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 6.458 2.335 6.680 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 1.940 2.793 -3.438 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 5.887 14.995 -2.995 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 0.970 -0.764 9.133 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 0.039 -0.720 2.573 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 -5.251 8.333 9.654 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 -0.744 2.044 7.046 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 -0.851 -5.197 2.114 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 5.991 -4.147 -2.017 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 -2.966 3.181 4.604 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 -0.085 -5.772 0.167 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 -1.635 -12.219 5.265 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 3.755 -3.589 -12.123 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 -1.565 5.420 2.337 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 21.563 -15.755 -15.280 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 0.727 10.662 15.248 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 5.285 -1.319 3.044 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 -8.331 -19.420 31.332 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 9.456 4.082 -4.256 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 4.298 3.642 0.677 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 5.483 18.936 8.520 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 14.903 -1.526 -8.222 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 5.971 2.993 5.004 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 4.828 -0.176 -9.994 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 0.095 -3.012 2.725 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 -3.257 7.975 -1.612 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 2.023 7.062 1.637 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 13.786 0.498 5.593 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 0.543 5.217 0.998 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 11.582 6.346 2.965 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 16.705 6.083 0.760 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 -2.429 1.095 -3.037 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 -6.161 3.712 -16.226 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 -9.813 3.112 -1.956 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 0.930 1.537 -7.469 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 4.985 6.895 -28.690 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 -1.674 -2.397 21.307 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 2.803 2.457 -3.826 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 10.956 -11.231 12.759 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 15.475 5.976 0.317 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 6.026 5.017 2.181 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 4.823 -11.482 -11.391 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 21.546 3.111 2.094 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 3.521 -9.774 1.871 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 2.528 16.540 16.886 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 -11.572 -18.605 18.900 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 4.269 -1.028 -2.653 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 10.923 -11.002 -5.226 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 17.585 -13.660 -2.553 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 0.926 -1.899 2.697 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 -20.281 -8.640 -3.358 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 -19.784 -10.440 -16.334 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 0.596 -0.425 0.763 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 15.381 -13.362 -10.598 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 12.857 1.741 -10.536 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 -2.404 5.676 1.219 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 -10.831 -7.313 3.092 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 15.690 -4.242 8.206 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 4.550 2.706 -5.573 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 3.668 7.452 -6.544 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 4.493 2.237 -5.987 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 -2.345 1.717 -1.171 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 -1.600 14.528 6.040 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 -17.705 -15.127 -17.428 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 -3.137 -6.344 -5.108 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 -6.499 -12.357 9.334 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 -17.154 -12.553 -10.768 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 -1.488 -1.533 2.732 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 1.495 -6.553 -6.932 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 -4.320 -2.054 -26.435 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 0.402 -5.181 -4.411 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 5.823 -14.034 4.003 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 6.089 2.820 18.458 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 2.901 1.012 2.671 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 -6.490 0.397 -2.401 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 -4.610 8.193 -9.234 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 -1.098 -7.702 0.583 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 -7.327 -4.706 -1.664 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 0.293 0.600 8.525 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 -5.218 0.832 -4.381 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 -21.689 -13.730 -7.864 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 0.096 6.212 -4.075 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 0.772 1.965 2.649 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 -5.988 -1.613 -11.648 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 15.907 -4.500 0.346 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 3.815 -3.804 -8.050 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 -6.845 27.720 4.861 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 26.789 14.516 -6.698 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 -4.275 4.356 1.773 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 -14.015 8.574 8.184 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 5.898 -1.440 -5.996 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 5.646 1.491 0.604 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 19.037 -10.492 -23.784 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 -3.392 3.118 6.875 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 3.856 -3.664 -0.570 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 4.413 -0.748 2.372 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 2.916 -2.461 -2.210 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 4.308 -1.802 -1.298 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 5.585 15.766 -2.072 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 -4.317 -5.503 -4.216 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 3.933 1.691 3.172 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 -7.878 -5.568 -8.921 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 -9.767 0.944 -14.508 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 0.943 -1.466 0.581 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 4.838 5.182 5.578 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 0.484 3.427 3.741 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 4.516 -6.111 1.034 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 3.536 12.655 -5.463 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 22.277 -13.065 -5.357 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 -3.295 6.324 -0.067 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 1.564 7.450 -1.560 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 -21.466 12.601 10.139 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 1.721 -0.259 -2.636 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 14.413 3.218 -3.448 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 1.819 -8.299 -11.968 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 1.493 -3.530 -3.012 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 4.361 -4.843 12.388 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 -7.671 11.573 -3.964 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 -2.354 -2.734 -1.430 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 22.533 3.190 17.905 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 -8.362 -0.571 7.849 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 5.028 -3.396 -3.488 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 -12.285 20.158 -21.555 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 4.910 -0.790 -7.154 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 -7.145 0.281 -1.538 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 0.637 -4.814 -8.693 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 -5.701 -7.321 -16.845 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 14.561 -2.694 2.218 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 10.284 -4.304 7.469 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 27.892 -12.399 12.472 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 2.916 2.439 0.328 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 -8.973 -13.213 -4.762 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 -5.214 -7.169 -2.794 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 0.301 -1.137 -3.155 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 6.519 9.923 26.751 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 -2.464 -8.163 16.519 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 5.690 -0.270 -0.400 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 20.501 -3.189 5.591 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 -3.946 -4.576 3.594 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 0.644 5.354 2.065 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 4.710 24.059 12.751 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 2.268 8.648 9.560 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 -3.786 -0.861 -1.718 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 -19.389 -4.469 7.319 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 -11.917 6.355 -22.406 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 -0.950 6.684 8.236 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 4.129 3.481 2.432 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 -13.969 14.623 21.005 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 3.498 1.424 -2.775 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 -8.059 -1.664 22.474 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 8.710 23.884 3.628 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 0.359 -7.013 2.107 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 7.318 -12.564 7.832 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 -16.475 -13.592 -1.761 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 -3.799 -5.781 -5.210 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 -11.255 2.178 1.911 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 8.463 -16.516 -9.566 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 -2.284 8.808 1.652 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 -1.990 8.428 -19.148 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 -0.422 5.116 4.328 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 -6.845 -0.146 2.102 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 1.117 9.602 -11.644 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 -10.736 -13.356 -11.609 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 2.457 -6.090 -0.234 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 -14.028 -4.519 -32.733 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 8.993 6.808 -14.681 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 5.158 -8.303 -3.088 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 -7.124 -19.312 -13.205 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 2.480 -1.332 -4.542 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 -2.691 2.073 1.741 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 -8.260 -9.454 17.060 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 -6.596 0.928 -3.044 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 -5.629 0.327 3.963 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -3.037 2.260 -1.042 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 3.677 -0.325 0.419 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 -4.904 5.989 -0.548 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 -0.071 -1.072 -19.194 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 -8.693 -5.190 6.888 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 5.544 -5.507 1.181 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 2.503 11.127 11.860 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 -5.315 -0.286 -14.884 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 -3.635 1.905 -2.773 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 -24.598 -9.543 3.234 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 -6.689 9.415 -17.207 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 1.867 2.202 4.476 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 -3.581 18.342 -8.339 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 4.117 4.674 -2.600 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 2.304 -0.487 -0.926 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 13.098 -6.767 -3.964 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 0.935 0.895 10.932 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 3.596 3.723 0.808 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 12.491 25.343 9.838 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 17.754 -26.795 -15.913 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 8.143 8.145 1.517 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 -4.089 -11.200 10.738 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 -0.371 -4.693 5.855 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 1.185 -0.718 -2.643 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 12.382 -18.146 8.511 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 -1.799 12.444 12.610 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 10.693 -2.471 -1.720 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 3.524 0.748 -1.967 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 28.039 -8.928 12.814 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 5.592 0.440 1.563 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 1.760 3.266 5.488 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 13.009 -1.776 -4.987 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 0.196 -2.622 -4.809 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 6.642 1.154 8.464 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 -3.341 -2.799 -9.305 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 -5.084 0.698 -4.993 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 -11.047 -3.383 -9.431 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 1.962 4.334 -0.398 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 2.999 -1.822 -2.495 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 4.047 -0.477 -6.622 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 -0.951 3.027 1.589 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 1.242 -8.495 -8.947 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 -7.171 -4.582 -12.145 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 -2.727 -16.643 -3.785 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 -2.389 -5.562 2.356 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 -23.965 -2.212 10.770 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 -4.732 -2.840 -7.404 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 0.848 -1.123 1.023 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 -16.225 -19.945 19.714 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 -0.595 -6.116 5.021 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 -0.577 -5.185 -1.109 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 -2.441 -1.900 3.717 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 -0.548 -4.907 0.385 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 -2.835 -4.507 0.258 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 -16.731 -23.208 -13.019 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 -4.735 -11.546 -3.418 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 -3.994 -0.261 0.807 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 8.559 -0.045 17.904 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 -8.930 -23.792 -12.331 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 -1.686 -5.534 -1.306 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 -9.375 -3.275 -0.060 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 5.041 -7.545 -3.769 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 -1.291 2.751 3.184 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 35.031 -6.154 -49.423 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 5.703 -4.244 15.902 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 -2.161 0.152 3.231 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 4.666 5.399 -14.571 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 6.959 -2.600 14.302 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 -2.688 1.649 -1.915 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 12.226 2.449 -7.211 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 -1.612 6.511 12.580 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 1.155 0.145 -0.844 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 -7.698 7.241 7.905 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 6.300 -3.510 -11.540 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 -3.612 0.281 2.552 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 -12.070 -9.721 5.606 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 19.171 0.358 9.274 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 -1.206 3.542 2.494 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 10.134 20.612 -8.984 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 -16.796 2.798 -7.465 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 -6.174 -5.132 2.808 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 -7.928 -0.284 9.479 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 -12.084 3.877 9.045 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 1.953 0.128 1.451 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 -15.935 0.946 5.666 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 -0.732 -21.990 14.177 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 5.802 2.923 0.241 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 11.920 18.169 19.319 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 4.090 -6.006 -10.690 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 1.385 0.334 -4.757 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 9.289 -6.668 0.839 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 0.182 1.905 -5.459 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 7.164 2.808 -2.425 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 10.964 3.579 0.992 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 -0.132 16.027 -19.205 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 -1.669 0.980 -4.308 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 -26.054 25.067 -12.313 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 -0.531 -39.689 -1.825 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 -1.316 -0.172 5.182 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 -11.735 10.161 4.704 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 6.007 -0.120 0.031 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 7.399 -2.015 3.592 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 -7.920 -21.077 -7.855 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 -8.546 3.866 18.712 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 2.193 -5.365 -8.463 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 -17.390 19.415 7.083 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 -5.432 7.445 -11.332 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 5.164 6.038 -11.028 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 1.875 -8.451 -9.119 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 2.217 13.104 1.572 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 -1.842 -5.512 -4.057 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 8.306 -7.471 -8.593 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 3.884 -6.510 -6.939 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 -4.876 -6.769 -2.980 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 -4.527 -10.503 -5.452 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 -5.077 -3.075 6.526 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 -2.855 1.968 7.005 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 -4.765 4.356 2.120 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 -4.660 2.163 6.256 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 7.406 2.524 -0.836 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 7.692 -2.873 -5.709 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 9.513 5.642 -3.361 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 -0.288 -4.017 10.055 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 -3.863 2.834 10.460 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 -11.968 -13.938 12.188 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 -1.634 -0.858 -3.702 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 -8.812 3.742 7.621 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 0.686 -5.094 -16.385 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 0.805 7.257 -7.636 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 -6.566 -7.294 -6.078 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 1.101 9.898 2.549 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 -2.692 2.068 1.100 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 -2.606 -2.077 -7.243 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 -2.727 18.085 29.366 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 -7.427 0.970 2.208 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 1.373 13.055 17.979 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 17.143 -5.738 -11.752 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 -3.179 0.294 3.644 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 -10.656 0.088 0.126 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 -0.153 -21.842 15.993 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 -2.336 0.728 2.140 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 6.496 6.900 1.222 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 -6.397 2.736 11.763 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 -1.432 3.531 -1.765 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 -0.741 -14.289 10.261 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 -1.864 15.773 -18.256 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 0.954 3.280 3.900 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 10.809 -10.847 1.000 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 4.100 7.965 2.352 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 3.650 -6.275 -6.855 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 -4.279 -0.672 -5.581 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 18.427 1.797 -18.154 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 -4.938 2.463 4.217 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 -14.266 4.240 16.909 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 -19.884 6.413 -5.405 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 -2.828 -1.192 1.795 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 -38.922 3.012 -14.273 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 31.608 -9.041 32.554 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 -1.165 -0.100 1.593 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 3.835 5.979 -5.621 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 -3.404 13.332 -4.315 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 -6.091 -3.780 0.409 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 1.090 -14.374 -8.876 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 -16.796 3.508 -7.260 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 -3.070 3.388 7.232 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 -6.882 -0.603 -18.938 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 4.317 -12.161 19.767 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 -1.682 -3.279 -0.584 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 0.373 0.763 -8.433 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 -5.865 -10.957 15.984 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 -2.513 -2.949 -3.326 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 -11.556 -10.117 9.211 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 -2.945 -6.395 3.090 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 4.254 -0.255 -0.108 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 -12.898 18.229 -5.124 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 16.857 14.183 4.861 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 -1.513 2.419 -2.463 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 -1.266 4.037 -4.132 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 -2.940 4.656 -1.727 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 -0.307 -2.309 2.608 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 -36.941 27.050 -3.747 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 26.502 26.130 -8.625 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 8.037 0.326 -2.487 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 16.920 5.515 -19.626 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 20.189 12.010 -41.551 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 3.702 2.965 0.721 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 5.280 -20.508 -4.584 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 3.095 -17.559 -5.675 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 -3.891 5.726 4.233 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 -9.183 -0.645 4.321 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 -2.712 3.672 0.252 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 -3.184 -0.950 7.775 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 -5.247 6.289 -5.225 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 -17.383 12.447 -7.058 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 -2.816 -2.021 0.506 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 3.191 5.902 -10.935 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 19.342 -9.604 15.130 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 -5.173 -3.766 -1.506 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 2.734 1.789 -0.670 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 -0.599 18.919 -0.576 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 -2.942 -3.918 -1.538 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 4.765 0.542 -19.784 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 17.600 -7.811 1.670 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 11.615 0.637 -5.113 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 11.939 -6.741 -3.462 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 15.442 10.518 8.737 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 -1.342 0.681 -0.123 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 -1.369 3.683 2.092 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 19.583 -39.556 -20.051 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 -2.581 0.309 -0.064 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 -11.977 -10.083 5.639 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 7.415 -9.226 2.168 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 1.563 5.328 -1.798 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 -2.980 4.701 1.148 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 5.922 0.822 -9.800 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 2.523 -2.852 1.901 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 11.929 -1.892 -8.420 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 -3.983 12.478 -8.079 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 2.076 1.091 3.019 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 -1.858 -6.871 1.366 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 0.129 15.012 19.452 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 1.439 -4.748 4.261 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 8.763 14.055 16.506 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 -4.247 -16.246 -17.929 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 -1.565 0.065 1.944 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 -4.099 8.851 -0.274 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 -6.888 -3.871 4.113 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 5.503 2.711 -0.212 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 -1.791 5.010 -9.073 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 11.249 16.055 -2.814 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 2.807 -5.645 2.452 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 12.322 -21.402 5.834 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 7.338 -6.044 2.200 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 0.288 -0.280 4.675 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 -3.875 12.795 -6.802 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 -7.295 4.605 5.642 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 -0.791 1.373 -1.893 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 4.942 -10.529 13.070 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 10.940 17.887 -16.372 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 -5.065 2.752 -1.144 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 -11.601 12.758 -1.208 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 -7.156 0.115 10.421 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 -2.355 -2.189 3.299 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 22.842 -9.090 2.357 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 -24.475 25.435 -11.784 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 -2.877 0.661 -7.272 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 -16.099 -14.540 11.595 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 7.435 9.391 -2.707 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 -4.401 1.214 5.162 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 4.999 -7.298 -2.064 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 -16.266 0.434 18.744 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 -1.076 3.789 -3.398 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 1.228 9.865 11.581 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 7.114 -12.979 34.288 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 -3.044 5.571 0.712 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 2.860 26.131 9.218 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 9.168 -8.366 -14.390 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 -3.007 -2.934 -1.145 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 -5.616 -1.529 -6.912 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 -2.876 0.612 1.712 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 2.356 -3.036 3.010 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 0.041 -14.133 10.627 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 -4.324 -9.129 -17.943 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 -0.283 -3.041 -0.001 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 -2.657 0.092 4.277 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 5.457 2.320 -0.426 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 2.598 -1.049 -0.637 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 4.215 4.056 20.122 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 24.409 21.546 25.984 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 -4.765 9.013 3.666 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 -5.006 7.758 1.962 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 -5.179 6.404 -0.218 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 4.868 -1.385 1.898 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 -10.008 -15.756 6.291 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 -12.768 -0.174 15.122 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 -2.308 -4.144 -0.117 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 -3.186 2.043 4.131 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 -5.315 6.282 -1.258 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 -2.171 -2.015 3.713 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 -16.279 -6.932 -7.042 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 -9.593 7.899 -8.482 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 -3.230 2.412 -3.500 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 5.280 -7.525 1.940 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 5.819 2.559 -10.805 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 4.335 1.545 -11.226 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 -21.325 -5.077 -1.721 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 5.584 24.920 -31.037 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 4.681 6.184 -4.539 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 -12.644 4.825 -31.154 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 -19.023 -11.528 -2.546 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 0.562 3.073 -0.720 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 0.066 0.887 -0.182 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 18.265 11.805 -5.855 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 -1.705 2.449 0.700 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 -8.126 4.318 -1.001 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 -6.245 6.921 9.457 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 0.755 -0.334 -2.034 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 -1.961 4.668 5.031 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 -1.660 -4.849 -12.628 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 -0.438 1.132 0.880 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 4.236 -11.783 -4.488 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 -1.802 -0.977 10.290 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 -0.743 -2.842 2.493 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 -16.883 3.794 -6.245 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 -9.108 -15.605 13.296 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 3.640 0.108 3.894 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 15.004 1.360 7.463 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 -2.840 7.466 11.137 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 -0.246 -0.090 0.119 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 -1.711 -9.620 5.710 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 3.529 0.600 -7.091 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 8.603 5.196 -3.919 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 15.623 -18.749 -6.650 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 13.663 -3.330 -1.685 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 -5.058 -0.172 0.271 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 -7.045 -2.022 -24.556 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 9.996 12.989 -0.239 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 -2.002 -5.687 2.195 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 -4.396 22.970 -7.200 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 -2.499 1.386 0.190 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 4.584 6.745 -1.442 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 7.591 -3.402 -8.549 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 -7.332 5.304 -4.272 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 4.479 4.159 5.321 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 -18.542 17.504 12.532 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 16.070 4.402 -1.666 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 4.872 4.290 0.675 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 1.207 11.310 19.639 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 -0.359 -2.991 -7.688 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 -1.965 4.739 0.047 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 9.770 2.272 5.576 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 -12.199 0.595 -9.097 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 1.600 -2.299 -6.700 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 -8.304 -5.796 -6.676 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 6.588 -9.883 -3.538 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 -3.094 2.190 -2.562 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 15.587 17.501 -10.742 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 -23.012 -8.129 6.866 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 -1.125 -3.292 0.051 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 12.265 -12.778 -9.175 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 16.667 -16.962 10.286 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 -1.429 4.758 -6.691 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 -1.573 -3.213 3.131 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 -7.855 -0.323 -13.176 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 1.248 3.548 3.609 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 1.713 12.009 -2.443 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 8.897 -1.885 -1.209 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 0.922 -1.682 -1.981 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 15.215 -9.145 28.265 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 12.020 -5.376 18.050 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 10.184 0.820 1.180 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 11.186 -0.129 12.429 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 11.999 3.742 -8.006 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 0.394 4.010 -2.589 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 4.543 -20.120 6.671 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 11.304 6.917 -5.364 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 -1.901 3.701 4.802 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 9.306 12.629 18.289 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 -4.004 8.957 -16.926 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 3.394 -1.229 -5.416 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 -6.132 19.373 -22.120 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 4.859 -19.233 -3.430 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 -6.390 -3.875 -1.434 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 1.883 -11.339 -5.937 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 -22.287 -5.842 -1.698 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 4.867 0.714 2.009 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 2.225 -27.109 -14.485 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 -19.393 18.378 11.720 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 -0.759 -1.367 -5.002 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 -6.679 -16.333 3.692 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 -4.350 -0.349 -4.641 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 5.123 -2.570 2.166 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 6.324 4.129 33.059 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 4.327 5.083 -15.097 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 -3.755 3.163 0.420 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 -13.734 -12.099 0.761 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 13.636 -6.226 4.765 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 -1.381 -1.681 2.723 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 5.843 0.321 -6.295 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 -12.473 -21.615 -19.101 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 0.684 0.988 -2.450 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 1.135 12.508 -4.978 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 36.201 1.278 -2.227 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 -2.323 1.982 -2.700 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 -14.866 5.120 -15.470 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 -0.343 -18.017 3.618 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 -5.248 -3.181 6.429 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 1.839 -18.088 -11.855 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 2.423 -1.941 17.446 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 -3.838 -0.420 5.233 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 -0.164 -3.476 6.664 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 -6.193 -4.362 14.141 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 -7.384 -0.384 -1.790 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 1.198 -3.597 -8.236 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 -28.206 4.347 10.461 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 -1.549 -1.024 1.013 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 -0.163 0.074 12.307 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 -20.196 -4.179 11.116 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 -8.306 3.685 -2.192 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 -12.526 -4.487 12.957 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 -6.951 2.488 -9.480 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 -0.239 -3.276 3.444 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 7.717 -9.775 -14.399 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 -0.635 -4.030 3.940 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 1.765 -0.668 8.035 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 -10.049 20.857 27.739 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 -17.170 -17.571 -18.561 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 3.294 1.099 0.129 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 -2.823 -0.283 -22.271 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 -6.546 20.748 12.617 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 -2.082 -0.700 -1.024 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 1.833 -2.465 3.782 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 -9.532 11.616 -1.579 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 -3.108 1.326 0.778 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 -6.817 7.650 -16.563 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 7.054 -15.093 -2.175 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 -4.464 -0.606 -6.083 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 -10.375 -0.451 -5.014 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 9.252 -27.752 -5.173 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 0.252 3.166 6.469 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 -15.773 1.325 -5.783 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 10.283 -5.601 1.977 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 4.411 1.047 -2.287 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 -1.859 2.762 -17.159 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 4.683 -4.511 -4.134 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 -6.198 -1.701 -3.896 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 20.561 -6.307 6.023 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 1.325 15.516 7.627 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 -4.540 -1.113 4.974 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 -21.011 23.790 3.492 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 15.921 28.854 0.199 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 -5.672 -3.919 -3.313 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 -2.002 10.962 -6.824 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 -8.729 -15.419 1.017 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 2.253 -1.409 -3.468 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 -0.052 4.730 -6.936 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 -10.269 9.544 -19.921 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 -2.093 -6.895 2.593 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 -2.599 -18.745 4.361 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 4.548 -34.827 16.934 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 -0.871 1.048 -4.682 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 6.048 28.428 19.361 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 6.334 6.320 -14.879 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 3.807 -5.210 0.840 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 0.914 -23.468 -3.714 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 -19.802 -24.197 -3.600 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 -2.760 -1.250 2.722 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 -8.405 9.103 -26.814 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 -25.184 5.811 -11.524 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 0.953 7.918 3.120 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 -0.035 8.464 4.504 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 11.697 -5.511 0.996 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 -4.868 1.695 3.761 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 -14.901 -3.774 -2.811 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 7.698 -5.425 -0.315 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 -5.998 -0.097 5.560 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 -21.958 -34.452 13.458 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 9.156 -10.538 5.225 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 9.412 0.852 -4.705 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 -9.064 2.754 -24.057 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 -8.485 7.591 3.273 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 1.261 3.831 1.209 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 -2.814 -12.826 -10.747 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 -11.527 2.559 17.676 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 2.827 -3.018 4.565 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 -12.716 3.275 -34.114 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 -4.276 -0.873 -11.971 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 3.098 2.799 -3.089 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 -23.012 10.406 5.584 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 -3.858 -20.337 -4.183 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 -1.737 -0.315 8.657 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 10.269 -7.682 21.700 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 -3.049 -11.846 -21.448 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 4.994 3.981 1.343 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 8.853 7.302 -0.225 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 5.773 -1.917 6.645 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 -3.382 -0.471 -2.899 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 -27.172 4.352 -0.978 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 8.752 4.512 24.080 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 4.881 -4.169 7.958 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 0.784 4.737 7.580 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 -8.512 -14.250 21.540 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 -0.588 2.317 2.355 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 10.683 12.570 -1.078 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 12.819 4.371 14.552 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 3.391 -0.437 -5.512 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 -6.949 3.819 -12.938 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 7.271 -4.259 -3.217 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 1.514 0.040 4.107 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 10.360 -5.136 8.378 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 5.628 -1.368 7.526 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 -0.042 -2.235 1.015 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 -3.218 -5.503 -1.407 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 -17.724 -10.290 -4.755 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 0.655 5.075 -1.406 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 6.249 0.922 -7.347 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 0.112 2.645 -0.307 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 -0.999 4.921 0.787 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 -7.782 25.228 4.031 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 -8.461 4.525 2.631 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 0.966 -3.377 5.938 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 3.738 13.628 19.725 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 16.522 -27.591 1.948 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 -0.571 -0.235 3.074 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 -1.388 0.856 4.623 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 -7.444 11.793 13.421 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 0.840 -1.318 0.229 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 -10.557 1.667 -0.943 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 -2.148 19.862 1.578 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 -1.940 1.418 0.361 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 5.139 5.800 -11.809 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 7.738 -17.491 2.174 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 4.991 1.977 -4.202 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 -5.353 7.290 1.136 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 1.386 6.101 -2.350 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 -0.686 -1.975 1.464 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 -14.074 -2.405 -3.720 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 -3.673 3.904 1.229 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 0.726 14.793 -5.023 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 -2.141 -3.116 15.182 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 -3.326 17.221 -7.065 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 0.646 3.910 -3.526 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 -1.638 28.913 -1.896 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 -20.380 -21.573 -4.377 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 2.337 -0.264 3.439 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 -6.171 -7.232 17.754 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 3.067 16.427 8.929 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 -5.352 -4.147 0.488 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 -9.357 -2.677 1.986 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 -5.287 8.590 -12.000 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 -1.244 -0.893 3.816 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 -1.001 -2.708 -3.965 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 4.602 3.207 1.633 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 -2.305 7.146 1.774 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 9.432 -3.607 6.342 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 -9.640 -0.654 -9.312 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 2.883 -2.229 1.996 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 0.634 4.302 9.739 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 -3.716 10.569 16.000 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 0.305 -3.185 3.135 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 -15.158 4.298 -6.285 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 -5.663 -1.426 2.522 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 -3.730 -3.326 -4.136 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 -20.631 7.189 1.306 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 4.339 11.119 4.930 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 1.043 -2.634 -10.137 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 8.582 -20.246 2.737 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 3.620 -8.725 -6.053 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 -3.200 2.508 -0.605 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 13.362 16.331 1.349 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 -10.916 2.906 -19.395 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 -3.078 1.293 -3.092 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 6.709 -4.730 -10.936 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 -3.388 6.245 -1.062 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 -0.691 -0.010 -0.273 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 2.024 -5.852 -4.520 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 -1.922 -22.993 14.281 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 -1.069 4.217 -6.868 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 -12.277 -3.124 -10.913 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 -2.350 -6.557 -9.205 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 1.830 -5.479 0.927 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 10.969 13.456 -3.971 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 -29.924 -4.009 -8.813 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 -6.476 1.896 4.765 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 -1.806 8.879 8.958 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 6.859 0.270 13.596 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 0.347 5.759 0.412 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 15.862 -9.439 1.805 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 -8.532 3.973 8.018 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 -0.849 0.905 1.237 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 -20.007 5.034 13.867 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 -2.247 -14.668 -33.765 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 4.166 -3.012 -0.212 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 -6.810 -21.541 4.351 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 11.529 8.816 -1.371 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 0.937 -1.237 2.063 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 11.516 14.683 -11.072 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 -8.469 -9.738 12.428 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 9.346 1.395 -0.979 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 3.537 0.211 21.160 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 2.388 2.171 -3.877 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 -2.564 2.670 -1.245 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 7.482 0.132 0.396 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 -11.042 -1.303 11.503 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 -0.236 1.850 -1.205 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 -3.317 4.810 -13.239 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 -0.847 0.846 4.766 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 -4.258 -4.101 -4.053 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 3.500 13.624 -2.829 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 -8.338 -12.596 -5.230 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 -3.210 -1.407 0.044 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 -4.416 5.471 1.690 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 -3.692 -3.478 4.469 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 3.606 -0.725 0.768 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 8.032 -10.395 11.472 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 -9.112 22.253 20.611 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 6.167 -1.054 -6.250 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 12.784 -4.245 8.861 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 -10.384 1.151 20.622 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 3.628 -1.474 -3.208 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 -8.014 6.534 -5.640 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 2.410 -4.253 -6.756 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 -2.501 5.853 0.318 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 -19.403 -9.887 5.853 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 -4.994 -11.863 -2.050 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 0.657 -1.778 -3.980 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 1.074 -5.233 -8.025 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 3.716 -11.900 -15.153 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 4.484 3.292 -9.882 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 17.243 -6.093 -10.873 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 -5.682 14.474 -7.003 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 6.183 -4.712 2.056 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 14.353 6.342 3.893 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 -2.606 -15.837 6.992 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 -0.011 -4.301 -0.061 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 8.904 11.316 6.273 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 24.736 8.853 7.820 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 -6.137 2.574 -1.031 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 -5.349 12.920 -0.446 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 -0.698 0.360 7.072 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 6.133 0.383 -9.387 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 -1.138 -0.939 -8.849 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 17.564 8.415 -26.458 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 -1.525 1.019 0.263 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 -3.040 20.601 -12.594 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 -3.199 8.455 9.417 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 5.014 -2.333 -1.825 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 14.190 8.561 -14.051 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 3.244 -3.616 2.090 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 -6.687 0.648 3.755 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 -16.092 3.559 32.806 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 -15.014 -5.918 -18.320 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 -1.551 -3.077 -1.152 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 2.868 -11.634 4.271 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 -2.116 3.059 -3.810 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 -2.170 -5.270 -4.684 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 5.962 -8.353 -0.308 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 12.052 -16.510 -17.031 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 4.094 6.245 0.946 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 9.651 2.972 18.794 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 -8.699 3.108 7.352 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 -0.847 -3.474 -0.514 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 -5.853 -1.644 8.979 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 -23.722 -17.733 -14.735 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 -4.795 1.271 -0.156 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 -14.599 -14.841 -5.757 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 10.417 4.369 -4.609 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 -2.655 3.915 2.834 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 -0.164 -0.778 18.224 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 -23.917 1.277 -12.050 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 1.220 -5.129 -1.341 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 6.406 -15.680 -4.492 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 -5.557 2.274 4.548 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 -4.113 3.324 1.193 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 0.266 5.908 -12.632 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 -16.658 -4.708 1.999 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 -0.581 5.731 4.775 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 15.378 -25.459 2.269 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 10.969 -11.468 3.025 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 6.319 3.409 10.216 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 2.597 2.865 12.674 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 14.511 0.428 2.758 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 3.940 1.139 7.482 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 23.017 14.088 -0.616 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 -5.316 1.828 -4.028 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 -8.458 0.435 -2.090 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 7.030 10.111 -12.508 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 16.175 -3.663 -12.699 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 1.802 -3.629 0.624 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 -12.598 -10.806 3.307 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 15.067 -15.869 -1.595 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 0.133 7.642 -4.259 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 -12.854 22.581 10.479 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 18.682 -2.358 18.306 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 3.012 2.151 -7.358 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 -6.651 -9.914 -18.858 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 27.636 5.158 6.315 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 4.333 2.483 -7.506 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 17.467 19.913 -4.857 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 -16.459 1.464 11.691 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 -2.888 2.362 1.896 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 -12.590 -11.194 10.332 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 9.755 27.153 4.445 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 -2.697 3.124 0.031 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 -5.773 3.622 1.467 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 11.807 -3.534 25.941 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 1.742 2.383 1.249 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 1.609 -0.635 3.143 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 5.459 -10.414 11.937 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 1.750 5.424 -1.341 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 0.234 -11.337 14.013 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 -13.153 8.144 -8.160 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 -5.966 -1.512 0.322 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 -8.096 9.787 5.335 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 1.541 5.711 10.821 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 9.186 5.468 -0.547 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 7.959 7.325 -10.365 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 6.515 6.291 -0.438 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 1.758 -1.337 -0.803 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 0.290 9.367 -7.455 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 26.232 7.949 10.387 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 -11.436 -1.801 -0.836 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 19.650 -20.551 -7.019 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 -2.493 -21.496 12.703 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 -1.886 4.335 -4.107 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 -3.073 -0.541 -13.926 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 1.025 15.973 -18.383 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 -0.281 -1.661 -0.608 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 -2.670 9.706 4.856 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 10.928 -10.438 -8.241 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 -0.269 -4.724 1.152 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 -1.155 -14.601 4.897 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 35.934 -9.790 -0.811 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 -3.796 -1.248 -5.073 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 -8.495 -5.578 20.187 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 4.441 -0.040 -21.513 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 7.121 -8.942 -3.129 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 1.415 -25.961 -25.620 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 7.481 -17.753 -7.900 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 -0.026 -0.407 -1.585 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 11.259 -8.943 -5.460 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 -7.016 3.168 -20.063 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 -3.186 -3.214 -6.229 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 1.328 -13.428 7.409 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 9.212 0.233 8.736 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 0.435 -5.169 2.688 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 -11.465 28.853 14.182 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 7.748 -4.249 -8.761 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 -0.287 -2.014 3.440 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 -9.546 2.977 -10.344 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 4.076 -10.665 19.109 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 -2.545 1.353 2.511 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 2.413 -9.548 10.610 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 -7.711 9.167 14.050 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 -2.183 3.305 2.044 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 -6.513 -15.449 -12.808 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 -8.686 25.936 -6.764 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 -2.569 4.588 -2.074 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 2.478 -0.174 5.215 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 4.789 8.277 -8.864 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 2.788 5.569 5.507 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 -5.083 -0.980 4.656 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 12.832 -5.777 9.147 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 -2.410 0.409 3.698 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 -7.171 -3.763 6.680 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 3.151 5.562 -4.931 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 -1.805 4.981 5.529 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 -22.468 14.545 5.900 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -14.829 18.276 28.671 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 -2.234 2.588 3.035 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 5.449 -0.121 -4.765 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 -9.743 5.002 7.568 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 1.073 1.301 -1.042 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 3.596 5.473 32.977 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 3.721 19.968 7.721 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 -1.524 3.069 0.213 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 -12.053 9.209 -21.420 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 9.836 15.328 4.234 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 -2.871 -2.883 0.290 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 -9.877 -7.539 19.246 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 6.158 -24.727 -8.705 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 -3.639 6.748 0.894 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 -8.711 5.658 -10.025 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 0.949 -4.501 5.133 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 -6.683 0.184 0.165 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 -4.579 11.216 -19.709 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 5.136 -2.923 -1.877 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 7.730 -2.887 -1.723 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 16.108 1.541 -7.391 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 -7.878 8.261 -6.879 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 -6.654 3.212 1.703 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 -3.553 2.699 11.155 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 9.162 -2.814 -4.519 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 5.145 -1.632 0.848 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 -0.504 -9.490 -1.540 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 17.229 14.711 7.332 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 0.415 4.076 -4.098 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 -0.110 -2.311 -0.779 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 1.076 16.159 -10.974 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 1.927 0.436 -4.169 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 -1.251 -3.512 -17.054 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 -21.703 -12.490 -8.573 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 -2.164 1.679 -7.834 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 -2.568 -6.684 -2.772 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 12.276 7.375 -6.946 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 -1.300 -1.168 -2.143 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 25.749 10.584 -16.826 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 -11.905 -8.926 3.513 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 8.013 3.873 1.237 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 10.891 -6.902 15.671 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 14.513 -5.701 -10.125 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 -4.063 7.381 0.557 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 2.469 5.524 4.060 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 19.625 -7.323 16.117 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 2.696 2.198 0.539 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 13.754 -2.133 -11.400 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 7.071 7.004 -4.479 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 5.454 0.454 -3.231 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 -13.910 -7.303 13.378 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 -8.160 -6.648 9.201 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 -6.006 5.551 -3.833 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 18.516 17.057 -7.781 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 -0.848 7.587 -5.159 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 -3.489 -3.621 9.555 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 -0.261 -10.489 -16.638 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 -3.448 20.592 9.776 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 9.864 -3.168 6.187 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 -0.100 10.378 -2.756 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 7.217 6.109 -13.756 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 1.432 -0.449 6.950 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 20.012 3.903 19.986 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 7.436 1.467 -16.371 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 3.454 -3.243 -0.783 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 -0.231 -11.878 1.142 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 2.544 1.202 8.033 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 -2.627 -7.205 -1.613 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 -1.588 2.127 -0.742 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 -16.433 -9.904 4.602 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 -2.055 1.224 -9.075 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 6.330 11.041 -7.812 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 24.898 -5.268 -3.072 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 0.002 -2.302 3.634 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 2.274 -21.405 25.440 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 17.028 -6.171 1.584 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 3.949 -3.717 2.839 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 -15.171 -9.503 -4.435 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 32.278 11.385 14.015 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 -1.595 0.553 -5.567 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 -8.340 17.330 14.231 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 -17.031 -20.599 0.547 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 2.488 2.081 -0.271 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -1.875 -21.419 -25.061 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 13.428 -3.416 4.244 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 -1.555 3.554 5.025 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 5.501 -0.784 -12.804 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 -2.646 38.978 4.208 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 -1.838 -4.352 -3.929 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 2.108 6.480 -5.412 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 1.773 -3.054 -0.553 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 -1.070 9.941 0.107 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 -0.365 24.050 -15.901 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 -18.538 26.484 8.488 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 -2.680 -0.677 1.443 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 -4.257 -0.112 3.259 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 -6.313 -10.896 -12.411 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 3.277 0.732 5.924 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 5.708 7.670 12.946 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 5.994 -16.576 -1.413 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 -2.038 -4.601 5.065 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 -5.876 -4.735 11.661 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 -2.995 -6.892 -12.667 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 3.168 -10.289 0.776 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 9.295 3.798 10.490 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 -7.079 4.622 -6.686 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 1.692 -4.438 -0.228 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 0.450 -6.140 -5.857 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 1.437 -5.745 -1.257 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 -6.856 4.215 1.305 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 -10.003 6.392 7.558 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 -7.761 -4.875 -3.786 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 -2.649 0.945 -0.930 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 -20.719 34.211 -2.061 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 7.246 20.557 -0.544 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 4.578 -5.253 2.601 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 -11.534 -13.843 8.353 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 5.469 -9.210 6.027 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 -0.087 1.002 -2.353 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 3.484 -1.748 2.259 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 -9.429 -5.300 -0.459 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 -3.414 5.056 3.316 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 -1.923 5.205 -10.333 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 -21.498 10.665 0.412 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 4.993 5.733 -0.521 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 16.165 -14.472 8.094 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 -26.108 26.851 11.711 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 -0.818 -5.241 4.616 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 -2.774 2.037 20.186 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 -15.736 -16.544 -10.353 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 -2.184 -4.773 -4.063 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 24.770 -9.553 -6.902 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 2.746 -2.286 -2.867 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 -2.300 -0.723 -5.269 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 16.539 -20.795 -8.048 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 -8.381 21.281 -20.874 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 -0.574 -0.443 -2.092 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 5.567 4.082 -2.462 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 3.057 -7.615 4.699 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 1.064 -1.336 -1.863 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 24.332 -0.465 2.937 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 -5.551 4.636 -6.422 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 -1.594 3.029 3.499 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 24.705 -1.601 -16.040 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 2.993 1.541 29.826 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 2.175 1.339 -1.304 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 7.779 5.886 -2.215 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 3.367 0.862 3.310 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 -1.553 -0.774 -1.301 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 -8.276 0.486 4.936 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 12.555 -0.539 -10.009 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 7.922 0.975 0.233 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 9.369 -6.877 -11.803 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 14.096 0.172 -13.106 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 -7.367 -4.733 0.338 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 -9.449 -5.765 1.889 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 -9.444 1.462 -0.569 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 -5.570 -7.687 0.735 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 15.214 -2.899 -5.677 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 6.599 -4.523 -5.364 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 -1.895 0.781 0.920 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 16.939 -7.516 -0.482 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 18.429 -22.605 -23.678 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 -1.880 -1.927 1.466 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 11.869 5.974 9.179 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 -1.863 -0.529 -1.806 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 5.414 2.943 0.941 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 -13.076 12.947 -20.817 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 -8.323 -1.354 25.084 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 0.740 -0.917 3.056 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 -2.734 5.654 -5.867 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 7.167 -11.537 12.664 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 4.887 1.157 1.096 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 3.060 -0.085 -3.164 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 0.707 0.365 2.876 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 3.731 -0.895 6.873 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 -6.790 -13.686 0.090 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 9.453 16.379 9.891 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 -2.697 3.817 -7.516 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 -11.426 3.765 -0.656 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 -0.071 8.565 -2.134 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 9.826 -0.929 -7.079 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 -8.309 -3.559 9.793 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 18.024 18.242 -2.411 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 0.512 1.095 -8.445 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 -17.794 10.299 4.129 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 -3.909 3.257 -4.591 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 -0.855 -4.052 -4.764 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 -3.662 5.929 3.656 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 4.389 4.187 -15.109 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 -1.768 3.195 5.052 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 -2.487 3.993 -11.964 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 25.608 4.317 7.648 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 3.208 1.362 -1.400 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 -10.832 -2.333 -27.701 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 27.620 -1.821 14.058 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 -4.866 1.445 -9.495 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 -3.955 -6.212 -5.406 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 -28.391 -1.799 -16.468 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 0.376 -3.943 3.860 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 -0.570 -14.860 -2.398 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 -11.976 -14.376 4.707 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 1.226 3.310 -5.061 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 -2.387 -17.512 -27.955 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 0.248 7.457 17.899 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 -0.513 6.375 4.582 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 -0.648 12.710 7.245 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 -12.564 14.342 10.236 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 -2.715 -0.868 4.140 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 -12.280 -3.039 3.103 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 -15.154 7.034 4.789 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 0.467 -3.177 -0.084 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 -17.515 -6.090 -5.582 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 17.577 2.847 0.525 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 2.102 1.843 1.041 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 15.442 -2.361 0.608 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 -10.895 9.647 -5.124 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 -0.615 3.190 6.466 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 11.056 9.488 -0.564 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 -1.692 5.243 10.957 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 5.867 4.488 2.216 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 6.946 6.067 12.210 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 22.130 4.600 -6.315 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 4.952 0.605 -1.558 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 -4.272 6.929 16.901 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 16.069 11.708 -7.314 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 -0.987 -7.456 4.733 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 -5.180 5.568 5.343 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 -5.556 -14.457 12.101 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 1.145 -3.857 -4.703 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 -10.554 -0.633 -2.065 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 1.619 -0.834 2.552 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 -3.848 -0.026 -5.828 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 -3.774 16.350 -7.734 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 -9.070 9.368 -9.898 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 -2.518 2.154 -1.725 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 4.404 8.270 4.214 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 16.280 -5.314 5.257 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 1.877 -1.776 2.740 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 5.489 -9.569 4.499 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 10.333 -6.637 -8.422 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 -3.976 3.302 7.449 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 2.999 28.546 -4.951 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 -18.333 -3.428 4.913 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 -1.197 2.455 -4.046 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 11.998 -17.256 -25.354 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 9.419 -7.746 23.535 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 -1.752 -1.907 -0.586 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 -7.890 -0.940 13.922 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 -8.150 -3.955 -11.282 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 7.059 -4.263 1.528 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 -1.528 18.253 -3.121 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 12.347 -20.633 3.565 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 -3.473 2.382 -1.627 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 -14.927 -7.125 10.203 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 -29.941 2.976 13.187 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 4.889 6.136 -3.831 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 8.360 16.590 -14.009 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 9.665 -10.660 -9.660 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 1.387 -5.689 -1.279 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 -8.242 -6.694 -5.881 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 2.329 -1.993 -5.700 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 0.517 -4.846 -6.901 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 -6.945 -6.279 -9.208 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 -3.565 7.799 0.075 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 1.366 -7.955 4.128 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 17.285 9.711 -10.712 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 4.142 -3.535 -5.836 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 -3.688 -5.250 -4.285 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 1.933 -1.416 -1.344 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 -0.211 1.791 -3.227 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 -0.963 3.227 -8.596 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 3.818 4.868 -18.662 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 -8.165 -2.249 -6.249 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 1.441 -3.621 1.918 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 -16.360 -23.403 10.595 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 5.565 -20.649 21.572 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 0.831 5.188 0.336 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 -11.986 -0.361 4.843 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 8.052 -10.116 -2.937 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 2.211 4.450 -3.145 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 -16.377 24.312 -1.914 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 -19.108 36.346 -22.113 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 -1.781 -6.910 3.292 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 7.850 -9.462 -12.141 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 -4.610 11.299 -21.496 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 -3.028 -1.265 3.935 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 -4.919 10.712 7.489 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 11.631 -0.303 10.535 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 -6.690 -1.998 -7.575 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 -5.575 8.985 -16.496 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 3.652 23.811 -0.232 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 -3.566 2.855 -0.750 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 -31.244 18.351 -4.193 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 14.560 -7.931 -0.582 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 2.237 3.099 4.282 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 -10.480 7.009 -0.781 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 20.778 0.419 10.089 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 -1.375 4.297 0.789 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 7.331 8.269 11.372 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 4.546 13.094 -11.312 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 -0.535 -2.165 0.782 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 -15.765 -17.241 2.872 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 18.501 -15.068 -3.524 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 10.592 6.233 -1.213 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 10.940 9.762 4.580 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 5.005 19.459 1.532 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 5.374 -0.335 0.721 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 14.319 -6.875 -0.056 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 -8.322 -3.965 6.828 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 4.119 1.767 -1.141 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 17.798 10.398 -10.713 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 13.161 -17.700 -2.976 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 -7.457 -0.699 -0.859 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 -13.399 -27.667 5.529 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 -3.246 -3.380 0.064 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 -6.015 5.071 4.806 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 -0.544 26.723 18.823 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 3.939 -6.373 -2.421 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 -3.052 -6.273 4.286 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 3.716 -5.085 11.710 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 -5.232 -17.537 0.808 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 -1.548 -0.529 4.185 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 -20.369 21.367 -14.006 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 13.363 -12.763 -1.329 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 4.154 6.033 -2.777 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 19.976 16.909 -3.730 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 -0.002 3.841 -9.514 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 -1.384 9.211 -1.548 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 -8.714 0.854 -11.275 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 4.107 13.620 15.016 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 3.799 0.258 1.217 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 1.383 16.037 2.754 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 14.721 14.692 10.595 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 0.690 -3.919 1.564 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 1.069 -1.184 -1.000 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 -3.259 -5.235 9.981 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 -6.965 -2.441 2.127 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 -0.110 -1.735 -4.892 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 4.049 -0.248 10.263 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 2.418 -2.485 6.601 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 -6.380 -7.087 7.503 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 -0.152 7.864 4.545 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 -0.838 -4.107 -4.209 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 52.937 -2.669 0.871 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 6.921 -22.273 4.349 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 1.713 1.134 3.834 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 -2.029 12.878 2.370 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 -5.768 7.093 8.334 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 2.004 -2.454 -0.851 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 -1.168 -4.582 17.417 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 -2.938 -8.691 0.479 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 1.402 -6.202 3.218 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 8.329 8.707 -13.293 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 15.609 -8.502 14.435 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 0.598 2.096 0.841 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 10.674 4.412 6.192 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 8.064 -14.214 16.222 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 1.821 4.288 -1.792 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 15.750 -14.013 13.389 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 -1.598 10.620 -2.921 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 3.769 -0.009 1.558 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 1.499 -17.813 -1.451 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 -14.685 -0.635 12.520 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 0.946 3.804 -0.008 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 -2.475 4.190 -13.755 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 -1.849 2.711 11.062 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 4.016 0.521 1.550 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 3.230 -38.549 -26.882 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 1.512 12.470 14.407 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 -6.676 -4.507 -1.851 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 -1.621 -2.590 1.406 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 10.222 -6.294 -25.655 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 3.624 1.795 -0.160 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 2.150 6.712 -7.544 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 -1.648 -0.050 13.522 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 2.180 1.520 -0.707 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 -9.406 -15.572 9.673 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 0.587 -1.109 -1.583 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 -0.346 -2.773 2.926 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 -16.066 26.402 5.548 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 13.755 5.082 -10.432 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 -1.487 2.528 2.470 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 -20.175 -20.284 12.207 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 -13.083 -10.013 5.084 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 -2.717 3.123 0.520 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 -21.412 -4.362 -2.304 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 4.491 12.914 25.951 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 2.013 0.768 3.842 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 10.002 -11.230 13.921 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 3.314 3.969 -3.398 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 1.090 1.370 5.637 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 4.649 -0.070 10.645 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 -1.576 2.956 4.124 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 -1.707 8.534 -6.572 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 0.932 26.259 -2.035 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 -1.271 9.284 -5.917 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 -6.008 1.146 7.539 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 -12.016 13.222 -1.804 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 -12.948 -19.335 16.685 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 -1.771 2.861 -2.152 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 -10.168 27.828 -19.498 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 3.605 -8.677 6.800 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 0.008 0.156 1.238 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 0.806 -9.703 -11.027 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 12.976 -17.750 6.965 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 -4.842 6.397 1.788 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 -3.215 11.071 -2.422 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 -0.174 10.294 4.635 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 4.332 -3.787 2.147 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 10.778 -8.828 4.042 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 5.961 0.732 6.580 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 -0.730 -1.034 -1.933 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 9.653 -8.213 7.420 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 -16.083 30.781 -0.184 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 0.230 5.646 -2.824 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 10.822 -23.653 -14.208 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 7.905 9.064 23.737 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 10.239 8.954 -4.531 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 -5.017 13.892 5.351 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 1.336 -11.076 3.121 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 2.010 -4.997 4.725 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 -10.513 1.203 2.440 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 -7.023 -0.909 2.556 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 2.552 -2.045 0.434 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 2.273 4.871 -3.839 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 15.501 -9.999 -1.227 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 -0.761 -1.026 -2.460 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 -5.757 5.588 -9.962 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 16.145 6.794 -2.627 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 -0.187 0.256 -6.160 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 7.293 7.119 -0.790 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 2.034 -12.907 4.227 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 -2.302 0.242 0.432 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 -15.455 2.908 7.696 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 -5.153 -8.922 4.153 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 0.558 -2.120 -1.743 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 8.738 -18.363 -1.561 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 -10.411 -1.353 22.379 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 1.509 -1.429 3.198 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 2.670 -14.859 2.293 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 -1.564 -4.791 19.255 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 5.221 6.437 0.582 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 0.679 5.145 -16.377 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 -5.605 -7.123 4.359 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 2.396 -1.964 -3.785 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 -2.043 -5.083 -9.564 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 5.381 0.181 -0.741 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 5.443 -2.717 2.863 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 -7.613 3.323 -2.226 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 2.093 9.561 11.155 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 -5.119 -3.617 4.804 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 -5.622 6.308 -4.106 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 -5.184 -1.675 2.896 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 4.778 3.998 -3.048 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 0.127 -12.419 34.587 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 21.264 17.304 -4.889 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 -5.695 -4.645 -0.092 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 10.341 -21.952 -0.243 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 8.172 -18.037 9.070 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 -6.823 -2.819 -0.623 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 -15.843 -6.564 11.741 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 0.051 1.518 -16.905 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 -1.523 -4.297 -2.041 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 8.005 0.750 -7.614 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 14.087 -0.034 -16.604 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 0.057 -6.642 1.358 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 -20.360 -25.443 -12.346 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 16.044 -31.666 -1.713 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 -1.719 -0.165 0.605 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 -2.916 -8.026 -9.429 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 -9.891 -3.143 19.318 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 -2.419 -0.427 -3.984 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 12.429 4.026 -13.828 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 0.679 -14.040 18.541 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 -1.606 -1.035 -2.062 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 11.373 26.934 37.871 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 -3.590 -9.297 -7.019 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 0.002 2.675 -5.233 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 -5.054 7.372 10.893 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 2.448 -1.960 -4.752 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 -4.645 0.196 6.300 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 3.141 -30.148 29.489 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 5.510 8.036 -14.991 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 -1.070 1.515 -0.849 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 0.164 -5.554 -0.807 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 14.201 -16.137 -15.609 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 -2.135 2.479 0.787 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 -9.626 8.854 -3.882 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 -0.668 8.142 10.021 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 -3.070 1.114 3.073 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 -20.390 10.977 -21.713 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 -8.018 4.206 -3.985 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 9.340 1.125 4.178 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 1.779 -8.276 -5.815 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 -0.073 -12.090 7.826 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 2.012 1.563 0.222 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 7.386 23.001 13.407 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 5.582 -25.855 -4.784 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 -2.441 1.565 -2.614 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 6.101 -0.067 -0.925 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 -0.340 1.124 -2.146 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 -4.683 5.338 -0.979 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 -15.514 10.264 1.244 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 12.886 -14.910 -29.671 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 -1.963 -3.504 3.780 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 -7.813 27.455 -42.141 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 7.163 -1.713 29.854 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 5.133 -0.212 -4.084 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 9.404 -1.320 -2.785 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 14.483 -2.905 -2.438 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 8.984 -3.138 1.355 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 16.492 -6.230 4.257 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 9.209 -5.127 -4.230 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 -7.944 4.328 -2.183 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 8.056 1.512 2.771 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 -21.701 5.036 -6.499 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 0.281 -0.036 -1.399 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 0.940 1.108 -6.091 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 -7.564 6.311 -22.763 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 -0.855 3.632 4.314 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 -15.955 5.517 -3.834 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 -1.822 9.707 26.188 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 2.088 -0.643 -9.528 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 -8.701 -15.315 -12.956 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 9.252 -9.465 -3.335 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 1.398 2.180 2.156 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 5.234 1.444 0.215 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 2.564 -13.218 -0.426 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 4.920 -3.880 -1.501 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 -15.190 -17.505 -0.782 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 6.168 -17.079 -8.635 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 -0.533 -2.330 2.357 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 1.675 0.411 1.904 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 -1.470 -2.748 3.162 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 -3.824 -0.829 -6.576 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 -11.647 -6.649 -8.358 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 4.257 1.864 -6.396 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 -1.250 0.543 3.203 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 -5.274 -14.292 6.809 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 -6.298 -10.881 17.598 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 4.998 -5.521 -3.088 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 4.017 -4.520 -3.465 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 5.148 -4.376 -0.076 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 0.254 -1.548 2.220 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 6.070 -12.459 -7.773 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 -19.162 -9.365 -25.076 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 -2.415 -0.375 3.394 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 -3.935 4.974 -5.920 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 14.560 -13.854 -19.856 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 1.293 1.434 2.743 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 6.090 -0.330 3.810 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 -6.553 5.801 0.771 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 -3.073 -3.710 4.671 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 26.238 31.793 12.255 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 6.388 4.058 21.928 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 -1.210 3.147 8.056 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 -5.588 -1.871 -11.445 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 5.447 3.644 -5.684 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 -1.767 5.673 0.038 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 11.337 -5.355 4.121 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 -6.862 0.635 -20.547 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 -4.680 -1.945 -1.766 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 12.798 -3.907 -19.759 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 -7.252 7.058 9.572 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 -1.549 1.356 -1.159 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 9.698 -0.089 -1.772 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 -4.587 -0.414 -2.877 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 -4.982 2.352 6.051 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 -0.518 1.496 7.153 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 -2.379 10.585 -0.094 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 0.194 3.646 1.081 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 -10.805 -12.116 4.130 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 11.105 19.902 -9.867 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 2.300 -4.377 2.967 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 -1.310 5.407 -5.211 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 -2.662 18.943 -1.695 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 -10.191 -3.134 -4.689 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 -14.664 -4.103 -10.222 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 -3.280 -1.588 1.481 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 3.077 4.237 4.832 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 -5.422 14.285 -2.722 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 -5.638 -9.794 4.418 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 -5.028 -1.966 -5.898 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 -22.646 12.461 -0.650 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 -9.324 -15.294 -2.914 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 -3.490 -2.465 -0.717 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 2.390 -9.262 -28.435 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 5.613 -19.654 25.842 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 -1.248 -5.152 -0.877 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 7.611 -0.138 5.474 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 28.957 -11.190 -13.842 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 6.703 0.451 4.077 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 -5.352 8.797 -8.130 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 -20.367 -18.800 9.576 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 -1.994 3.175 -3.043 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 5.031 -1.350 5.885 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 4.703 7.749 -10.962 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 -1.511 5.712 -0.283 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 4.581 -1.226 -10.514 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 18.300 -9.262 -22.214 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 -0.928 -2.717 -0.888 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 4.202 -2.759 -0.729 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 -12.420 -1.906 -1.918 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 -1.019 -1.348 0.112 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 14.713 1.056 -7.883 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 -24.360 10.101 -11.828 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 1.556 3.581 1.957 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 2.271 7.806 5.884 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 3.547 0.878 -5.543 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 -6.330 8.148 0.641 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 -10.406 18.199 -4.649 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 1.212 -1.334 1.828 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 2.150 -0.482 -0.535 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 10.631 -11.812 7.799 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 4.351 2.345 5.006 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 -5.413 2.025 -2.077 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 -9.532 15.850 -5.529 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 -3.115 1.986 3.732 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 -1.135 -1.673 -0.157 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 -11.276 -11.750 -0.262 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 -1.846 -1.952 -3.464 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 1.390 -2.131 0.798 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 0.452 -0.621 8.995 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 -2.074 -2.996 4.851 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 8.800 1.401 -0.248 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 -3.834 -14.659 15.173 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 17.472 2.257 25.760 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 -5.487 0.693 -0.292 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 -0.702 5.993 -19.676 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 -6.992 3.624 -1.563 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 -2.290 -3.065 3.806 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 -11.034 -3.734 -0.708 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 3.054 4.811 -1.675 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 3.060 -2.398 1.940 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 1.013 23.200 5.793 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 10.033 -24.976 -29.697 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 3.273 1.459 1.616 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 8.206 -1.187 5.110 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 -4.532 -0.031 1.999 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 -3.081 1.488 2.420 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 17.719 1.602 -8.053 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 -18.729 2.674 15.572 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 -0.984 1.130 -0.458 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 13.486 -4.525 6.667 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 -1.011 11.053 -11.822 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 -3.715 1.597 -3.027 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 -7.615 -4.488 10.702 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 -12.116 3.243 -7.519 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 -0.376 -0.479 -3.525 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 6.335 3.745 -10.683 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 4.892 -14.531 7.969 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 -3.661 3.018 -4.306 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 12.297 -7.353 1.399 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 -2.269 17.815 5.177 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 -1.015 0.776 1.758 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 19.627 14.236 9.376 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 -12.123 -7.564 -2.853 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 2.814 -2.274 3.734 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 -15.299 -19.067 8.269 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 11.701 -29.433 -1.663 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 -1.238 4.206 2.200 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 -13.438 -9.835 2.226 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 -11.689 -20.073 0.602 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 -0.435 4.654 0.620 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 -4.652 6.081 -0.942 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 18.670 -12.164 21.933 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 -2.191 3.048 1.168 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 -13.430 -10.623 -2.565 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 -9.401 19.331 -2.417 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 4.310 4.793 -0.153 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 -9.163 -13.294 3.884 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 18.386 22.444 18.268 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 1.958 0.215 -0.217 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 1.518 -10.726 -10.113 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 -10.389 -1.269 8.126 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 -10.491 4.679 0.654 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 -3.755 -6.066 -2.837 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 -15.003 12.072 -17.909 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 4.227 0.026 -1.386 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 -1.782 7.368 -9.943 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 -17.009 -12.912 27.450 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 3.712 1.330 5.954 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 14.363 -21.650 -4.985 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 7.205 -13.100 11.546 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 1.510 -1.877 9.010 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 -4.524 -14.601 16.622 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 -3.795 -5.505 11.930 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 5.649 -5.983 1.586 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 -14.799 -0.354 12.285 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 20.795 -2.092 -22.122 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 -0.774 1.284 -0.790 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 4.455 -4.624 8.463 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 -9.783 -5.698 1.385 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 2.236 2.735 -2.316 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 9.836 -11.440 -13.648 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 -2.985 -1.378 17.069 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 -2.993 2.524 -2.168 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 1.547 7.236 -2.637 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 -1.578 -2.698 -2.232 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 1.058 0.433 0.286 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 -14.334 29.310 -18.560 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 6.044 1.153 19.664 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 -4.932 -4.220 1.272 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 -4.115 -2.997 1.626 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 -6.215 -4.775 1.500 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 -1.757 -0.090 0.102 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 5.843 8.336 2.039 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 -1.327 -0.226 -4.353 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 0.050 -8.873 -5.023 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 -9.062 -8.392 -3.780 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 1.724 -17.891 16.282 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 1.971 1.471 0.505 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 -16.163 11.142 -19.721 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 2.641 -2.417 0.618 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 1.283 -4.263 -3.246 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 3.940 3.196 7.904 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 0.380 1.110 -21.703 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 9.852 4.603 1.989 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 31.150 1.841 1.071 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 -3.057 1.636 -6.024 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 1.358 2.419 0.884 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 0.309 4.536 3.781 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 -3.968 3.522 14.101 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 2.906 2.021 0.239 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 4.565 24.258 -13.522 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 1.642 -6.214 13.494 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 -3.204 0.194 -2.003 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 -6.841 3.606 1.667 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 -6.053 -2.293 4.664 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 -2.117 -1.254 -4.882 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 -2.779 -13.350 6.798 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 2.099 0.446 -0.409 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 3.731 -0.211 -5.086 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 0.856 13.201 7.761 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 -5.782 4.700 10.073 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 -3.547 -3.278 3.461 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 29.658 -1.416 25.948 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 0.709 0.684 15.849 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 1.513 -4.714 -3.139 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 6.478 1.135 2.995 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 -12.763 6.678 -0.510 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 2.340 -1.561 3.995 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 -12.249 8.531 3.063 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 14.808 9.925 -0.839 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 -2.221 0.529 2.393 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 5.563 33.168 0.752 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 21.393 -17.364 -7.102 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 -1.896 1.404 4.324 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 -11.300 5.136 -1.800 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 -4.846 1.638 1.725 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 -0.414 0.695 1.244 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 -11.356 -2.816 4.591 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 3.289 -1.368 -6.883 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 -2.187 -0.901 5.696 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 -1.856 -13.076 6.114 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 -1.070 2.166 11.977 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 -9.260 -3.497 2.658 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 -16.447 -5.154 0.389 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 0.394 -1.844 30.477 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 -6.300 -0.075 -0.258 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 -0.946 3.411 -6.025 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 -4.103 -7.366 9.586 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 -6.000 6.460 1.983 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 -22.961 -1.187 2.719 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 -13.533 10.588 2.324 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 -0.697 4.104 -0.401 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 -11.905 -7.730 -9.791 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 -4.073 -3.257 -4.174 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 -0.102 2.594 3.454 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 9.778 -12.739 7.706 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 5.050 7.289 -3.351 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 -4.213 3.248 4.139 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 -8.754 18.729 18.162 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 13.283 5.220 7.876 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 1.893 0.237 3.258 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 -0.000 23.621 32.651 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 1.919 1.258 24.983 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 -4.052 2.861 3.548 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 17.066 -8.284 2.271 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 -14.322 5.354 1.893 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 -0.313 0.688 -3.221 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 -5.634 0.597 -10.719 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 -0.130 -3.070 -4.897 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 1.574 -12.400 2.244 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 -16.608 3.544 0.510 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 -6.321 -17.134 22.008 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 -2.280 5.845 -0.741 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 -12.157 -7.761 -9.622 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 6.204 15.436 9.784 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 -5.063 -3.462 0.024 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 -1.700 -5.219 3.555 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 10.450 11.810 12.897 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 -2.220 2.605 2.198 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 -13.639 -3.716 -14.428 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 -15.590 26.875 2.685 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 0.610 2.513 -1.359 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 -15.328 -9.846 -0.830 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 -2.364 -10.773 -3.150 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 3.152 -1.262 -1.899 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 -14.475 -14.761 0.876 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 8.428 4.487 19.431 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 -6.245 1.112 9.303 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 -5.948 7.854 1.381 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 -12.607 0.437 4.184 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 -10.030 -2.765 0.183 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 -25.054 -0.855 -4.258 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 -13.107 -2.906 4.636 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 -8.922 1.662 -3.203 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 -10.850 -8.978 -13.518 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 -10.728 -8.562 19.930 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 -4.944 -4.018 2.794 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 -36.312 -8.356 13.138 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 7.516 1.965 19.385 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 3.744 -5.853 0.307 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 -5.141 -14.057 -0.060 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 18.779 -17.458 8.567 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 2.441 -2.777 -5.717 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 3.483 3.285 -5.868 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 10.220 -11.100 -8.080 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 2.350 7.314 5.928 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 -1.169 9.689 2.670 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 27.018 6.797 10.122 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 -0.835 0.573 2.936 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 14.082 11.107 -15.013 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 9.693 24.697 16.751 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 3.748 5.648 3.497 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 14.485 -9.497 17.555 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 22.674 -0.602 20.327 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 -1.427 -6.287 3.129 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 19.864 -11.461 8.501 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 -6.108 11.831 14.440 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 4.161 -3.899 -0.890 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 -0.115 -31.189 -10.911 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 -3.385 0.220 0.566 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 -0.169 0.742 0.339 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 12.759 -5.277 -16.372 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 20.009 12.600 -17.569 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 5.847 3.035 1.898 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 -2.423 -11.648 3.925 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 2.434 11.558 -4.325 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 9.240 -2.601 -0.730 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 -3.017 -2.759 -29.021 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 -22.211 -8.759 -21.083 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 1.308 0.432 0.130 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 -14.461 7.289 -8.579 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 38.318 -15.138 18.500 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 0.669 2.241 -1.099 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 -1.076 2.834 -0.927 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 -14.791 18.359 -2.619 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 3.407 -0.434 -0.009 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 1.963 26.593 -8.011 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 16.668 -4.985 -16.283 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 -3.948 -2.958 3.871 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 -0.277 6.321 -12.328 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 -5.458 -8.314 12.711 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 -2.600 -4.545 -1.199 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 -9.874 -23.183 33.263 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 -1.020 -5.467 -19.116 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 -4.719 8.520 -5.177 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 11.241 24.179 -2.272 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 -24.824 19.315 -8.906 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 -2.020 0.928 -2.794 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 -7.302 -7.704 0.283 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 0.993 7.152 -0.983 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 -4.482 5.432 2.400 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 -5.938 8.054 5.955 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 -4.235 2.377 2.244 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 5.540 3.624 -0.119 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 -29.193 15.280 -4.845 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 -5.244 9.939 -25.557 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 6.610 5.747 -1.645 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 10.140 1.021 -12.673 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 16.940 -6.241 3.999 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 -3.907 7.525 8.339 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 -7.553 8.416 5.637 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 9.668 5.661 3.406 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 8.340 2.643 -6.048 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 11.897 14.229 -12.717 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 3.667 9.144 0.281 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 -1.157 2.910 2.256 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 -0.732 -1.683 3.561 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 -8.687 -1.024 1.470 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 -0.255 5.617 -2.278 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 -8.428 0.859 0.663 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 -14.411 -2.007 -8.695 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 3.221 1.442 -4.767 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 8.951 -24.360 -6.368 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 1.401 -5.352 2.259 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 -3.427 2.558 1.615 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 -3.016 3.567 3.110 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 11.747 -26.717 -13.515 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 1.229 -5.076 -4.957 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 2.831 7.389 -19.310 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 7.336 -0.862 -0.789 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 3.221 -6.106 -0.411 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 -6.697 -19.977 -14.173 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 5.691 8.158 21.017 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 2.925 -1.340 -3.566 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 14.756 14.845 11.846 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 -21.829 -0.489 -21.995 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 -2.054 -1.938 -2.221 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 4.774 9.570 5.056 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 15.890 -3.791 12.855 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 -8.325 6.253 -4.652 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 7.650 -3.283 -17.232 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 -5.487 27.000 0.180 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 -1.083 0.553 3.803 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 -9.646 -5.126 8.273 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 -9.930 7.165 11.303 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 -0.021 2.483 -3.301 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 -5.479 7.034 -13.604 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 5.657 14.203 -41.157 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 -5.192 2.625 0.770 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 -15.707 -3.801 -15.065 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 -3.647 -0.296 29.360 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 -6.442 0.136 0.797 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 -12.724 -6.122 -1.602 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 -7.475 10.395 -5.567 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 -3.348 0.589 -3.071 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 17.728 29.443 -6.439 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 -29.614 -13.029 18.603 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 -4.979 -6.797 -7.178 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 5.269 2.547 -13.645 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 -12.931 -5.215 -16.969 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 3.202 -1.206 -3.063 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 18.766 -8.013 -10.954 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 9.543 -10.337 3.500 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 3.154 2.544 5.906 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 8.853 5.971 -5.772 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 15.180 0.721 13.572 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 -5.376 -6.946 -3.741 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 0.109 1.580 -0.608 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 12.913 -19.797 -6.642 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 1.129 -0.162 1.499 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 -2.580 4.433 24.774 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 4.480 -5.252 -25.551 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 4.383 3.579 0.082 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 -11.602 -14.194 -8.674 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 3.003 7.212 -0.602 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 0.417 4.516 10.529 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 -23.273 13.192 -24.144 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 5.568 16.431 25.173 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 4.011 1.469 -4.683 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 -0.452 -5.524 -3.639 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 -0.032 -12.475 -3.021 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 0.629 -1.386 -2.141 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 15.370 -4.798 -8.276 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 -11.048 -9.111 8.075 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 3.491 2.331 4.235 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 3.782 8.769 7.674 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 11.776 -0.804 4.621 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 -9.231 1.618 4.892 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 16.867 8.336 21.669 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 -10.148 4.504 -10.888 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 -4.839 4.428 0.581 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 8.770 2.454 -6.030 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 1.638 -4.819 4.396 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 -0.022 6.305 3.291 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 -10.094 5.291 0.563 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 -6.334 -9.267 0.323 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 3.333 -1.076 -0.852 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 2.894 17.821 -24.509 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 9.972 -7.307 -3.265 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 0.504 6.714 6.756 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 3.363 -9.886 -7.196 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 -1.215 7.743 6.665 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 -2.051 2.348 4.729 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 -15.879 11.750 -18.449 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 6.426 12.424 -8.035 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 2.058 -1.130 -1.854 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 1.669 -2.255 -1.678 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 3.627 -3.064 1.950 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 -5.901 4.690 4.199 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 4.902 16.964 -0.912 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 1.252 3.272 4.318 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 -6.773 0.211 -1.160 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 -9.392 -3.874 11.718 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 -6.262 -6.376 21.996 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 1.640 5.208 -1.972 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 -8.405 32.446 -0.235 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 -1.788 5.993 -26.541 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 -3.642 0.679 -6.765 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 -10.636 7.201 32.406 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 -10.899 6.302 32.886 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 -7.823 -5.480 0.942 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 -14.347 -13.976 -2.893 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 -7.200 -1.870 -6.811 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 0.414 -2.094 5.434 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 11.311 2.846 -5.508 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 -7.319 11.383 9.909 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 -5.023 -2.938 -1.569 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 5.005 -2.135 -1.762 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 -6.455 -7.487 7.831 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 0.357 -2.103 0.796 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 2.234 2.347 -3.963 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 8.477 4.203 -5.122 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 -1.055 -0.648 -0.807 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 -0.822 -2.143 -2.489 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 -1.217 -5.734 -6.504 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 0.438 2.705 -4.021 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 -7.841 -1.595 -8.562 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 1.094 -4.826 12.101 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 -0.081 -6.285 3.221 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 11.313 -2.760 -11.690 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 -4.139 -10.270 11.962 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 5.964 5.719 -3.048 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 11.280 -10.414 8.342 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 1.080 12.704 1.084 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 -0.954 -1.973 -1.008 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 -4.595 8.296 -9.465 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 2.382 -6.749 -0.595 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 -0.778 -4.323 2.874 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 3.996 -4.116 14.590 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 -7.046 -3.108 7.764 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 1.876 0.802 -1.085 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 -7.092 -1.450 -3.026 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 7.842 -4.361 5.667 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 -1.082 2.236 -1.076 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 -5.441 -12.550 13.867 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 11.403 20.819 -0.507 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 -3.760 2.513 -8.188 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 22.046 -1.065 7.093 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 9.407 20.487 13.552 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 0.213 -5.631 0.902 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 -7.376 -4.195 -1.448 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 7.419 -18.426 -4.575 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 -2.323 0.003 0.135 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 -12.865 17.385 3.821 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 -0.491 -2.645 -7.194 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 0.279 2.892 -4.721 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 -0.288 2.079 -1.205 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 -1.715 3.375 -9.811 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 1.504 5.667 0.061 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 -16.418 -0.035 -2.460 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 7.523 6.341 -0.570 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 -2.524 -3.153 -1.195 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 -10.428 -2.231 -6.937 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 -12.374 -5.977 3.754 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 2.509 5.318 2.259 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 4.370 -20.165 -3.711 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 5.665 -0.140 -27.396 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 -1.014 -3.762 -5.315 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 -4.500 -2.569 -0.003 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 5.746 -9.618 -14.178 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 -1.725 -1.738 -9.396 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 2.343 -8.437 3.884 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 14.140 13.298 -5.786 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 -1.131 5.037 2.896 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 -2.085 -47.903 -4.991 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 9.132 25.466 -12.936 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 -2.374 3.208 0.151 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 -4.914 -18.177 -3.678 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 -3.242 29.012 -34.559 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 3.710 0.757 1.441 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 2.469 -2.043 3.991 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 16.532 23.552 -27.210 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 0.326 0.048 -4.145 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 -6.499 -5.013 -6.771 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 -1.894 7.807 2.527 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 3.435 -5.625 3.641 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 21.000 5.600 20.889 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 -15.230 -7.176 2.647 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 4.109 -2.604 -1.994 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 -2.788 -2.720 -4.026 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 10.321 17.427 1.285 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 2.722 3.022 0.217 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 -10.715 -8.677 -3.026 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 2.813 18.825 3.192 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 5.592 -1.379 -1.198 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 6.183 -8.970 -3.768 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 10.215 0.804 3.576 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 2.137 -1.360 1.372 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 -3.258 -7.859 0.124 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 -8.249 4.352 -7.529 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 2.142 -2.650 -2.047 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 -4.861 -5.257 14.360 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 -24.342 -4.008 6.054 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 1.915 -1.121 3.971 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 13.791 4.170 2.791 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 -6.817 -9.637 5.162 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 3.241 -4.265 -0.622 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 4.650 17.863 20.195 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 3.402 2.632 6.051 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 -0.019 2.984 1.285 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 8.660 15.458 3.336 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 0.704 7.892 3.896 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 1.578 1.238 -4.673 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 -7.382 22.321 -16.003 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 8.171 -14.561 -24.236 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 -2.189 -0.926 -6.592 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 16.754 -1.039 10.774 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 -5.755 -1.014 -9.087 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 4.989 -1.832 4.442 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 -4.496 -7.904 4.799 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 -4.393 13.215 2.418 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 -2.396 -2.424 -1.053 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 2.781 -9.187 -5.947 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 -5.337 -2.716 -0.855 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 2.711 -8.657 -2.707 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 3.154 -2.102 -17.632 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 6.521 16.591 19.397 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 0.517 -3.473 -2.010 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 2.908 -13.061 -10.046 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 3.267 -14.096 -10.672 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 -7.730 1.266 -3.376 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 -0.573 -4.022 -20.122 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 -9.467 -4.455 1.438 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 -3.179 0.126 -2.765 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 15.332 5.188 11.965 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 -0.814 -5.427 -35.793 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 0.274 -4.512 0.656 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 -15.620 -5.456 -5.011 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 1.437 -9.913 -29.222 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 -1.143 2.395 -3.068 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 2.643 11.740 -16.477 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 -7.603 5.629 -11.786 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 2.339 3.350 0.168 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 -2.345 -5.540 0.347 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 13.824 -5.533 -8.045 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 4.440 -3.003 -3.549 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 6.402 -2.812 -15.412 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 2.855 -2.362 -10.359 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 -2.117 2.074 -2.284 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 9.258 -6.478 9.350 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 -3.968 -3.506 8.034 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 -1.980 -1.465 0.872 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 10.982 4.083 -8.364 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 -5.638 10.353 13.155 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 -5.551 7.385 2.788 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 -18.639 -2.599 2.843 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 4.322 18.576 13.882 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 -5.038 -3.116 -4.431 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 -4.748 24.946 -11.639 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 -7.442 -14.815 14.755 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 -0.108 3.589 -4.238 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 11.917 3.412 -19.559 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 31.209 -20.868 -14.549 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 -0.102 0.562 -1.076 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 7.594 8.534 7.025 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 -15.366 -10.073 -15.906 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 -0.753 0.342 4.976 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 2.097 0.118 16.178 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 14.566 -8.634 -11.112 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 7.009 0.912 6.908 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 10.177 0.269 -8.556 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 10.019 4.297 -10.106 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 -0.215 0.769 -1.423 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 1.739 -6.818 3.799 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 3.058 -1.161 -32.166 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 -1.529 -4.554 -2.641 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 -7.320 6.824 8.592 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 -8.678 3.931 6.109 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 -1.607 -5.648 0.661 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 0.847 8.724 -12.571 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 -11.886 -20.677 13.030 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 -4.232 -3.045 3.809 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 -4.363 -0.780 18.829 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 5.397 -9.054 4.032 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 -7.821 -5.636 -4.104 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 -4.010 -9.319 -10.220 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 -8.920 4.747 -6.509 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 0.298 2.738 4.812 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 1.617 -6.351 -1.697 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 -6.823 -3.109 8.176 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 -4.297 7.956 -3.266 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 5.712 -9.146 -20.779 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 -1.760 4.735 -6.341 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 -4.981 -0.072 -0.731 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 -11.513 18.863 -5.660 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 -0.983 -5.143 0.404 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 -0.783 -3.716 3.872 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 16.669 -13.095 3.736 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 -14.981 2.522 21.119 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 -0.459 -1.707 0.976 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 -6.091 9.254 -3.640 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 1.277 -8.235 -8.105 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 -2.058 2.200 3.548 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 2.812 -8.734 11.276 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 -10.361 -1.045 -8.412 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 0.362 11.190 -8.782 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 5.781 4.646 5.746 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 -1.806 27.382 -5.974 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 -0.379 0.751 -3.713 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 1.019 17.354 -8.417 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 -3.245 -39.863 19.997 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 -3.076 -4.914 2.058 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 -6.343 -6.773 -6.852 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 -12.247 -21.006 10.062 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 8.562 -0.346 -3.258 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 -20.241 -6.614 -1.471 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 -4.560 5.892 -2.454 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 -0.678 -0.536 1.224 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 9.721 0.857 -4.182 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 -9.218 0.631 5.559 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 2.759 -1.099 -1.667 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 4.921 -7.395 -8.264 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 -7.001 6.222 -13.616 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 -3.403 -2.360 -7.006 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 -6.871 -3.948 -7.349 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 -12.339 -4.263 -8.062 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 -0.273 1.552 -3.501 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 -12.283 6.543 -3.046 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 -4.397 2.891 -4.595 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 6.398 5.633 2.341 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 -5.245 -7.399 -25.532 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 8.595 5.971 20.911 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 0.477 -4.263 -0.074 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 -4.230 -4.663 0.590 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 -10.956 14.194 14.440 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 -4.797 1.965 -0.908 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 -2.001 21.842 -4.302 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 0.164 3.560 4.084 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 5.083 -2.164 0.449 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 22.443 18.814 -9.828 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 9.224 3.565 3.717 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 -5.405 4.083 7.101 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 -0.194 8.104 10.297 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 -19.613 -5.621 -0.903 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 -3.443 -6.452 0.338 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 10.861 15.082 -7.198 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 -11.358 -5.426 -6.676 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 -2.632 -1.105 -3.892 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 -2.374 -4.263 -7.642 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 -4.799 1.579 -2.245 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 0.375 -0.068 -5.331 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 -21.889 9.251 -32.637 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 10.664 1.246 6.107 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 -3.288 4.991 1.092 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 -7.212 12.377 20.200 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 13.548 -5.255 -13.134 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 -1.197 1.611 1.203 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 1.804 5.805 7.782 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 2.840 6.136 -12.374 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 0.367 -0.547 -0.806 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 1.598 2.021 0.376 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 9.251 16.487 11.212 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 3.397 -1.582 1.785 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 23.587 4.714 0.762 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 7.387 5.867 2.172 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 -1.599 -0.203 3.424 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 10.620 -8.585 -0.619 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 -3.485 1.133 4.073 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 -2.372 -7.329 2.097 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 18.210 -11.884 -31.743 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 -5.440 -0.887 5.596 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 4.241 -2.338 1.701 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 11.071 -13.549 8.262 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 3.760 -1.884 1.587 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 -3.101 -1.865 -0.531 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 1.630 16.483 14.691 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 9.746 -8.866 2.463 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 -4.359 2.507 -1.424 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 4.837 15.486 -27.423 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 -24.316 -13.311 6.568 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 4.516 3.861 7.012 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 -11.347 -11.470 20.321 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 2.430 -14.853 8.595 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 3.276 -0.846 -4.501 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 -12.624 -8.787 26.376 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 2.622 -28.307 3.612 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 -3.120 2.721 5.033 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 -3.249 19.196 -10.990 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 -8.483 5.048 23.942 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 -0.024 -5.393 -6.172 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 12.547 7.098 -3.976 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 -27.684 2.207 -15.086 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 -3.189 5.427 3.850 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 11.385 -5.360 17.498 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 14.551 7.918 12.421 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 -7.657 1.573 -0.759 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 -10.081 -0.034 2.972 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 15.919 -10.213 -1.651 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 1.706 0.836 -1.843 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 -23.901 4.680 -14.612 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 12.792 4.723 9.188 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 -0.652 -3.452 -1.716 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 -19.097 -6.110 -6.891 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 -29.234 -6.086 -10.754 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 -3.985 3.694 9.020 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 12.876 4.534 -3.404 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 -7.169 -5.317 -11.149 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 -1.299 1.465 6.629 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 5.187 10.869 3.406 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 3.855 5.387 13.755 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 3.427 -0.269 2.089 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 -19.219 -14.816 -6.881 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 -9.678 2.268 4.617 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 -1.512 -1.001 8.242 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 -16.193 7.845 27.289 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 8.658 2.989 -13.648 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 8.667 -5.205 -0.682 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 -4.618 18.833 -9.035 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 -4.451 -22.208 12.713 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 -0.537 -1.612 -6.973 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 0.622 11.730 15.221 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 7.355 20.068 1.302 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 2.792 4.804 2.399 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 0.184 2.510 9.928 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 -4.046 4.458 -1.724 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 -1.545 4.496 -7.712 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 -3.137 -17.582 0.378 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 -2.147 25.587 -17.696 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 -3.267 -2.572 -1.768 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 -2.455 1.480 1.798 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 -2.985 -11.876 -1.914 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 0.939 1.214 -1.740 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 11.306 20.489 -0.337 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 -20.333 7.282 2.389 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 0.379 -7.060 -1.597 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 0.869 -6.659 -2.014 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 2.269 -8.299 -0.477 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 -5.228 7.587 -7.615 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 -7.441 7.173 -0.722 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 8.538 -2.009 -15.966 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 0.883 -0.685 -3.669 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 4.877 -2.386 1.522 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 7.019 -0.102 -3.859 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 -2.124 3.941 1.045 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 12.812 -8.115 20.970 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 -4.996 19.430 5.837 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 -4.485 -0.926 -4.075 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 10.751 25.247 7.864 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 23.550 -17.991 -10.517 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 -4.135 0.684 -2.348 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 -14.480 8.336 4.144 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 -1.789 -24.322 23.304 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 1.480 -0.705 -0.934 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 -5.536 -1.868 -2.476 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 8.085 5.140 -5.609 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 1.149 4.065 2.698 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 -7.081 9.456 1.041 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 -3.577 5.068 -5.561 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 1.765 -6.751 3.422 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 -5.103 3.288 -1.831 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 -9.322 -10.064 -4.539 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 0.910 -5.714 1.268 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 -7.843 -6.341 -1.408 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 2.745 -8.947 -1.385 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 11.418 -2.031 1.641 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 2.932 -3.332 -2.930 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 8.510 -5.064 -1.351 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 1.397 -7.493 -5.649 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 7.547 0.245 2.013 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 2.901 -5.156 -2.163 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 -2.962 -3.901 -0.411 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 -11.472 10.452 -10.667 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 -15.825 3.767 -3.950 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 -2.064 -2.817 -4.859 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 -7.759 4.405 -0.084 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 -1.136 0.085 -14.305 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 -8.424 -4.023 -0.212 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 -4.500 -2.249 2.181 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 -6.057 5.877 7.615 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 14.962 -1.185 -1.145 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 0.432 2.517 11.768 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 1.211 29.886 8.311 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 2.687 -0.217 -0.293 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 6.103 4.376 -1.663 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 -1.454 -3.850 0.841 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 -4.437 -2.982 -15.286 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 -11.064 15.521 -10.318 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 10.193 -9.305 -12.919 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 2.929 0.007 6.029 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 -3.637 5.626 -5.889 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 -6.893 6.849 -11.704 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 0.178 1.457 -3.057 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 1.400 8.440 -1.234 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 4.359 17.224 7.783 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 2.186 1.786 4.728 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 13.676 -5.491 2.940 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 -4.388 24.788 11.547 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 0.245 0.802 -1.300 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 3.639 2.134 -9.239 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 12.637 -6.075 5.311 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 -4.504 5.789 2.708 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 -6.619 0.515 2.185 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 -2.780 18.016 4.233 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 3.711 2.745 -2.631 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 8.206 -8.137 -3.157 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 -3.538 7.716 0.639 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 1.312 -1.283 2.808 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 28.647 -9.968 19.248 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 -8.931 -5.647 -15.630 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 0.057 -1.928 -5.001 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 1.200 5.419 -15.050 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 -1.771 -9.942 4.425 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 -3.781 2.710 -0.222 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 2.313 -17.428 22.510 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 12.575 16.479 12.196 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 4.645 1.094 -5.479 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 -13.010 -3.449 -0.346 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 18.085 16.226 12.746 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 -3.742 -4.234 -5.700 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 23.455 0.735 -9.523 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 -13.766 -4.146 -22.070 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 -1.925 3.653 -1.169 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 15.663 31.285 0.735 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 -6.651 -4.534 -2.923 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 0.293 -5.399 0.651 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 3.331 -7.133 1.353 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 -3.226 -11.585 13.729 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 -0.340 6.169 2.653 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 4.430 0.433 -3.723 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 8.973 5.228 4.153 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 2.576 -1.918 -6.830 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 7.416 11.120 -29.422 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 2.903 14.315 6.646 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 5.194 3.005 2.054 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 0.745 -1.133 3.699 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 -7.688 3.591 -1.976 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 4.710 -0.865 1.403 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 -9.205 -9.275 11.855 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 2.438 -5.254 16.051 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 -3.351 -0.354 0.797 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 0.489 -0.999 5.288 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 -4.865 -3.824 8.088 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 2.475 -2.782 -8.135 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 7.441 17.852 1.445 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 3.158 3.807 -4.343 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 3.648 -2.818 2.032 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 -4.103 19.268 -1.520 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 0.345 5.076 -0.786 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 -5.898 3.758 -1.264 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 -2.054 5.590 -2.310 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 -0.157 6.786 -3.743 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 1.506 1.449 0.351 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 -2.353 19.945 -29.907 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 4.683 -9.894 18.396 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 -5.752 -3.401 -1.588 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 12.328 7.470 -6.564 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 -4.591 6.156 20.126 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 -1.166 3.402 -0.064 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 -3.304 20.779 -18.727 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 -11.864 -0.629 16.031 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 -1.079 3.639 2.532 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 -10.486 0.972 8.468 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 0.270 9.939 -12.470 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 -1.569 0.808 4.367 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 29.876 0.974 -3.378 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 16.094 4.754 5.339 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 0.832 2.746 0.755 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 6.348 0.084 12.574 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 -5.855 -2.157 -1.676 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 2.675 4.974 1.081 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 -12.039 -8.210 10.056 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 -25.583 11.744 1.344 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 2.852 3.668 -3.275 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 6.548 -8.544 3.084 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 6.226 17.744 -1.257 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 1.868 2.386 -1.553 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 -13.790 -14.103 24.214 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 -1.492 3.937 10.526 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 -3.069 -0.835 -0.099 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 1.202 9.241 -26.729 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 1.045 -18.011 -0.524 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 -6.659 1.872 -0.363 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 7.416 4.967 13.958 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 4.502 1.421 -18.507 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 0.382 -2.613 0.314 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 11.704 11.398 -4.550 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 -13.980 -5.219 -9.454 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 -7.409 -4.946 -1.374 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 -16.151 -4.306 6.559 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 3.122 3.776 5.529 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 4.117 3.490 -3.323 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 30.984 8.267 -14.581 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 -8.592 -9.104 -6.785 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 -1.934 -3.463 3.722 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 1.005 -3.718 15.352 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 4.531 -9.588 -1.702 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 -5.136 -0.668 2.085 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 15.462 3.423 8.973 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 18.875 2.931 14.985 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 -4.769 0.358 -4.044 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 -18.916 -4.565 -14.664 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 19.832 -13.591 2.452 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 0.514 -0.917 3.338 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 9.725 1.771 -2.285 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 -16.258 -4.028 20.902 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 -3.396 -1.725 -3.149 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 -5.368 2.932 -13.378 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 -5.022 -16.846 -6.363 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 0.789 2.329 -0.207 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 -13.869 2.865 -22.462 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 11.472 0.830 8.581 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 -3.613 4.101 1.667 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 -7.488 13.951 7.692 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 4.353 7.734 -8.110 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 0.094 -0.979 -0.783 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 2.491 -10.424 0.147 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 -0.471 -7.688 3.811 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 -8.980 0.005 3.831 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 -0.154 -2.638 2.421 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 -5.281 17.276 11.815 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 0.406 -1.167 -2.460 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 5.809 5.834 -7.213 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 9.393 -18.095 3.508 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 -8.526 -5.700 3.667 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 -11.326 -7.202 -3.840 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 1.129 -10.984 14.524 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 1.094 0.059 -4.123 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 5.876 -5.043 3.336 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 -1.567 -8.326 6.576 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 -3.512 -1.925 -5.324 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 -5.199 -4.249 1.587 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 -8.234 -6.588 -6.978 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 -4.516 0.539 6.175 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 -21.449 -8.888 1.583 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 -20.962 10.298 21.416 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 -5.421 -4.341 3.355 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 4.486 -11.908 23.568 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 12.615 1.058 -11.097 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 0.875 -0.811 -5.776 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 10.740 -6.113 -2.364 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 -1.573 1.276 -11.603 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 2.276 -2.844 0.507 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 2.524 -13.021 5.717 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 -22.218 -11.951 -26.931 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 0.003 1.593 -2.968 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 17.014 28.172 -0.482 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 13.523 -14.834 2.202 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 -1.864 -0.996 2.934 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 6.522 7.378 -6.975 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 12.137 -6.460 -19.561 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 -3.474 -0.643 6.960 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 -2.091 1.728 9.346 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 11.765 12.956 5.067 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 -1.347 0.588 2.148 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 14.901 -14.144 -2.274 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 -4.330 -7.085 8.867 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 0.662 9.912 4.596 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 -2.347 7.297 -11.752 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 12.294 18.028 10.010 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 -5.120 -1.656 0.385 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 -15.441 6.749 -8.204 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 -8.943 -21.734 18.766 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 11.010 -2.494 0.661 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 34.464 -3.276 10.520 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 8.879 1.543 -3.432 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 1.119 3.893 3.166 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 29.198 -24.769 -9.091 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 13.279 -1.757 -15.792 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 5.420 3.095 -0.262 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 1.616 19.887 -7.562 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 -10.594 9.777 -1.523 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 -1.814 2.412 0.934 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 -13.825 -6.975 -6.875 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 17.147 14.529 -5.960 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 7.140 -4.249 -1.384 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 -0.253 -4.456 15.746 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 -0.724 0.754 -5.264 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 0.412 0.792 -1.163 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 0.134 10.055 -2.164 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 -4.181 -2.547 -9.209 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 -0.336 -3.659 3.196 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 10.307 3.084 -7.750 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 -23.446 2.821 -3.769 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 -4.099 -2.510 -2.971 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 -0.769 -8.771 -8.853 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 -8.514 8.364 8.887 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 3.350 5.048 -2.188 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 -4.123 -11.184 10.426 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 -3.198 26.312 -4.034 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 0.715 -5.526 2.615 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 -7.062 5.582 -1.805 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 -14.162 16.385 -8.071 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 0.847 -0.008 4.216 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 -10.526 22.357 -12.123 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 -2.390 -13.974 3.033 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 3.037 -5.098 -2.346 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 -4.569 -4.284 -20.057 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 -1.392 -8.616 -19.337 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 -4.358 5.038 3.356 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 9.436 -10.371 -5.935 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 0.523 4.141 0.880 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 3.341 0.211 -3.530 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 9.829 18.592 -9.314 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 -11.489 2.252 17.901 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 3.183 5.624 0.386 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 12.084 -14.854 20.119 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 -13.745 -6.815 -10.463 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 0.058 5.667 3.887 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 5.280 -1.162 -5.805 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 -4.462 -4.360 6.145 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 -4.574 -5.256 -1.246 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 -18.027 4.058 7.270 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 12.422 6.938 0.090 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 0.905 2.117 0.088 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 8.716 -15.991 -3.873 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 -1.014 -18.921 19.031 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 0.127 -1.472 6.429 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 -34.893 3.947 -0.265 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 -2.960 -0.922 6.148 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 -3.156 -1.681 -2.519 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 -6.757 -6.892 -1.033 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 12.414 -4.921 -20.605 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 6.951 -0.742 -2.141 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 6.017 -0.153 3.302 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 2.065 4.227 -3.519 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 -0.814 0.770 -0.240 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 3.829 -24.670 17.063 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 5.680 -13.069 9.557 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 0.143 -3.130 -3.903 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 -5.262 -29.285 14.067 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 11.302 -17.725 -0.207 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 7.431 5.022 -2.531 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 4.892 3.181 -2.457 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 11.200 8.313 -2.673 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 2.012 2.716 -3.307 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 1.103 1.404 -9.034 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 15.256 7.943 -24.534 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 -2.222 5.603 8.710 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 -2.832 -3.825 -5.663 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 -9.086 -13.815 17.695 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 1.048 -1.579 7.284 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 -6.228 3.779 -0.685 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 0.109 3.023 2.187 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 -2.467 2.508 -1.769 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 -3.842 9.085 -0.104 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 -15.248 2.283 17.345 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 0.888 0.799 -5.877 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 -16.221 -4.638 -26.812 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 -6.807 -2.858 17.884 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 -1.192 1.638 -6.787 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 -19.105 17.885 4.656 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 -4.248 7.853 12.988 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 -0.294 -3.449 -1.196 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 -3.383 3.852 -14.361 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 3.869 37.036 24.898 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 2.422 2.810 0.613 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 -20.111 21.208 2.451 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 -1.829 7.673 -23.226 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 -2.332 5.923 -0.339 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 -0.071 17.064 -3.623 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 -3.409 -9.178 1.635 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 3.054 1.407 4.492 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 18.092 -18.304 -22.090 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 2.650 -5.873 -1.408 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 -3.439 -1.947 3.553 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 -13.721 -16.598 7.781 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 -5.139 -5.661 4.816 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 -2.733 5.331 3.351 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 5.818 31.705 -11.496 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 -19.266 16.079 11.810 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 -3.527 1.735 -1.832 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 -9.434 4.780 9.424 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 -3.185 1.152 -6.257 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 -0.382 2.363 0.203 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 -10.131 0.781 4.010 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 21.655 25.494 -2.456 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 -0.903 -3.649 4.976 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 -4.016 1.537 6.197 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 4.574 -1.722 4.024 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 1.886 10.134 -3.891 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 10.690 31.146 13.703 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 11.994 16.639 -27.618 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 -0.951 -0.958 -1.575 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 -11.558 9.805 -9.748 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 -17.131 10.219 -9.194 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 -1.215 -4.457 -2.609 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 -3.995 -2.774 8.654 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 5.587 6.743 -15.182 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 -0.138 0.035 0.653 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 3.579 1.371 5.898 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 10.609 -34.137 -8.174 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 3.376 -0.963 -3.602 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 -7.274 -3.207 -17.496 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 5.414 -13.772 -2.080 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 1.343 -0.851 -1.762 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 -0.584 -12.239 -17.305 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 11.779 1.990 0.838 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 1.366 -1.569 -2.118 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 1.484 6.024 9.730 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 9.811 1.770 -1.725 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 -3.556 0.215 5.092 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 12.492 -11.903 3.531 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 -16.123 -6.756 17.082 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 5.464 -5.154 0.909 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 4.621 9.859 6.024 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 6.349 -5.082 0.215 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 -1.102 -3.289 -1.323 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 -2.468 6.835 -17.137 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 12.963 -15.132 -1.561 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 -4.169 -8.147 -8.076 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 -0.585 -11.551 -9.492 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 9.283 3.406 0.270 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 -0.555 0.741 1.590 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 -23.133 -12.978 13.976 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 -9.084 -15.681 -21.492 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 4.080 -4.014 -3.656 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 22.568 20.158 -12.615 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 3.640 7.891 6.268 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 -3.644 2.854 4.358 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 -5.786 -0.501 2.281 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 -6.812 -27.703 2.938 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 6.734 3.648 -0.197 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 16.774 3.601 1.741 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 3.945 2.423 -13.512 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 5.643 9.801 2.746 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 12.176 19.468 22.531 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 5.930 16.576 15.459 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 3.018 -0.376 3.722 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 0.268 -5.640 -2.669 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 5.736 -22.131 1.982 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 5.374 -3.093 6.984 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 -7.978 -36.186 21.312 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 -2.200 7.895 1.429 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 0.989 -3.526 -3.119 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 -7.180 -5.167 -3.120 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 0.521 -3.535 -4.554 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 -2.517 -0.659 3.584 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 -3.342 -16.370 15.083 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 2.781 -10.687 12.510 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 -6.234 -1.218 -7.662 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 -10.275 -26.921 25.243 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 23.631 -9.702 -25.221 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 4.773 -0.086 -2.195 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 6.711 9.755 -0.079 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 1.490 -0.626 4.058 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 2.865 -2.170 1.021 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 -6.256 5.927 3.040 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 3.886 1.047 6.578 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 2.035 2.182 1.416 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 -10.076 -3.819 5.181 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 19.510 6.569 17.404 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 3.922 -1.902 -5.859 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 -4.225 -1.059 -7.084 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 -1.180 10.874 -7.505 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 -1.766 4.968 -0.138 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 -2.845 9.095 -0.286 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 25.204 -4.676 -2.778 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 -1.525 -1.554 4.361 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 3.365 0.577 -9.358 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 7.629 -12.788 -15.122 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 5.133 1.970 -5.098 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 -0.052 5.257 33.473 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 18.907 4.172 -19.303 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 1.398 -4.140 -4.171 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 7.744 12.327 2.156 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 1.931 -16.724 -5.564 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 -2.197 0.144 3.377 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 2.934 14.190 7.251 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 -3.725 -7.952 -8.996 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 1.106 3.747 1.245 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 18.337 6.653 -5.476 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 2.989 4.945 -8.666 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 -1.103 -1.523 0.837 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 -6.022 7.242 -21.134 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 7.424 17.932 -10.243 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 3.074 -2.324 -8.076 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 4.371 2.614 8.005 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 5.681 7.112 -2.140 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 4.871 4.206 7.898 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 0.326 2.378 7.882 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 -10.360 -1.445 -4.558 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 1.223 6.210 -3.015 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 39.333 3.812 7.993 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 -27.043 -2.657 -7.105 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 3.045 2.416 1.451 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 6.877 1.473 2.896 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 1.219 1.243 -1.835 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 -7.460 -5.114 4.301 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 -17.728 -7.308 0.065 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 -26.869 15.154 2.608 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 -2.578 -2.210 5.504 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 2.907 13.309 12.278 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 22.441 -12.879 -7.510 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 3.407 1.037 -0.053 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 10.395 26.513 7.473 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 -1.856 -11.395 24.927 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 -3.929 1.936 1.885 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 -13.259 6.146 -11.885 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 -6.274 4.768 3.065 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 1.359 8.413 -5.763 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 -0.610 3.669 -10.844 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 2.428 7.698 -12.120 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 6.448 -4.645 0.176 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 13.540 0.521 3.213 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 23.622 24.277 19.612 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 -4.018 1.989 0.010 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 -14.452 4.930 2.161 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 -2.261 5.602 -0.730 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 -1.121 -3.925 -1.554 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 4.850 -1.981 -7.177 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 0.505 -1.564 -4.439 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 -0.410 -6.354 -1.379 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 12.347 -8.255 -5.933 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 -2.827 18.917 -18.099 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 -1.778 -2.032 -3.090 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 -9.780 -7.717 7.072 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 14.355 -16.181 -1.665 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 1.395 -3.301 3.915 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 12.272 6.201 12.467 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 8.164 12.535 0.983 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 0.265 -0.420 -1.680 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 3.519 -1.781 15.782 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 -2.309 22.552 10.500 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 0.353 4.853 0.226 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 -8.878 13.848 -9.169 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 3.884 -9.399 0.184 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 -2.287 3.766 -0.878 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 -17.816 -7.161 -22.718 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 -14.583 16.053 9.840 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 -0.589 3.233 4.674 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 -7.797 4.030 15.165 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 -11.008 -1.704 2.008 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 -7.251 -4.690 -3.874 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 2.291 0.598 -2.006 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 -9.484 8.280 -6.387 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 9.459 -1.626 2.766 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 27.921 -0.028 -0.362 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 38.818 0.170 -7.719 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 -4.179 2.240 2.894 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 1.905 0.014 -5.569 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 -8.235 -4.954 -10.331 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 -1.234 4.635 -5.228 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 -6.877 -14.543 -0.894 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 3.187 1.225 -10.392 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 0.324 -1.545 -2.479 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 -20.374 10.490 -21.149 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 8.541 3.150 6.456 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 -1.428 3.749 -1.322 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 -0.930 2.370 -3.324 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 10.599 -21.434 -1.511 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 3.463 3.718 -3.092 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 -7.040 13.190 6.239 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 -10.895 16.541 9.718 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 1.682 5.515 -3.238 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 -2.082 3.789 15.492 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 -3.055 -8.896 24.808 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 -5.223 -5.735 2.035 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 -12.451 3.795 -0.418 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 14.475 -7.210 9.441 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 -2.244 -2.038 -6.737 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 -1.183 -0.658 -9.357 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 2.757 -19.258 -13.495 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 -0.461 -3.466 -2.636 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 -1.311 -4.082 2.564 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 -8.556 -4.635 -9.089 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 -0.422 -7.085 -4.558 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 -1.738 3.179 -0.450 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 10.499 -8.023 0.043 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 -5.627 -0.147 -3.837 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 -8.261 1.531 -3.373 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 27.799 -3.658 12.437 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 2.827 -1.304 0.355 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 15.443 -6.177 -8.866 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 -1.418 5.691 2.920 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 -0.044 -0.362 2.206 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 -22.395 -10.977 11.672 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 -5.223 13.898 22.033 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 3.415 -3.842 2.106 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 -0.870 -11.096 0.268 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 4.526 -4.327 -8.804 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 -0.822 3.658 5.067 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 2.368 5.092 4.984 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 19.573 1.934 5.498 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 6.384 0.158 -1.312 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 9.532 7.410 9.954 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 0.549 -6.151 1.602 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 -7.047 1.834 -6.681 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 -16.431 -6.240 -7.441 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 -5.848 9.266 5.682 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 3.712 0.404 3.131 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 -4.562 -14.460 0.149 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 -15.669 14.437 3.010 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 -0.346 -2.788 3.236 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 -8.158 4.772 26.836 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 0.755 16.840 -8.947 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 3.523 -7.174 0.973 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 0.600 -3.305 0.064 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 -5.427 -4.790 -1.004 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 0.794 -0.695 -0.340 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 8.821 1.175 -9.458 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 -4.234 2.456 -1.700 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 6.985 -0.247 -0.834 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 -8.678 8.151 -3.713 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 -39.141 2.996 9.679 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 -7.683 1.141 4.435 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 -9.856 -4.075 -3.611 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 2.719 -17.668 -10.151 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 1.000 -1.823 -1.232 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 -12.302 -5.976 7.048 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 3.701 0.687 -2.621 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 -2.457 3.459 0.040 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 16.388 12.086 6.289 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 -3.626 13.695 0.617 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 7.786 5.173 1.877 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 -9.307 -4.411 5.870 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 -33.650 -7.394 -1.430 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 5.204 2.054 -5.428 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 8.180 -2.277 -18.372 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 11.335 -7.106 18.512 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 -3.487 3.759 2.574 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 -2.403 13.265 5.992 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 14.355 -10.399 19.106 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 -0.599 -5.299 1.392 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 -4.819 -3.395 -7.930 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 -15.340 -2.959 -9.667 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 -3.684 -3.315 -0.333 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 -17.088 -1.924 2.147 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 -7.258 -12.901 14.179 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 3.377 -2.198 0.772 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 5.757 -2.522 -17.600 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 19.773 -5.337 11.743 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 -1.624 -1.152 -1.841 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 -28.433 17.964 10.843 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 16.129 -7.832 6.919 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 -2.170 1.462 1.976 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 -15.828 -17.755 -6.177 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 25.221 -6.750 5.804 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 -2.050 7.571 1.472 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 -0.758 5.876 -30.034 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 3.901 -9.670 -7.679 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 0.885 -0.969 -2.572 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 -3.440 -10.242 -1.972 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 -11.693 -13.749 -3.306 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 4.606 3.707 -3.739 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 -3.240 -14.301 24.960 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 21.504 -3.805 -36.429 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 -1.261 -4.077 -3.133 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 23.159 -17.481 20.376 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 4.385 2.943 6.364 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 -3.204 -6.540 2.779 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 -29.303 12.783 5.640 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 -3.184 -17.116 1.729 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 4.498 -2.583 -2.621 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 -7.520 -1.922 -9.110 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 -18.041 5.928 26.428 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 5.381 0.884 -8.124 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 11.048 -4.656 -13.896 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 -1.510 1.270 -9.681 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 -3.245 -1.132 4.850 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 -12.878 -9.750 16.896 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 14.834 25.546 -9.540 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 -2.267 -1.403 1.592 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 11.469 5.809 16.059 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 11.443 -5.039 15.535 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 5.354 6.346 1.240 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 9.346 7.055 -7.882 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 -1.332 -3.772 0.317 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 1.158 -3.193 -3.126 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 -7.009 -11.879 0.117 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 -1.659 18.543 -4.223 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 3.362 -3.983 8.156 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 11.723 12.764 2.914 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 13.248 2.718 21.264 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 -2.027 -0.505 -4.470 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 0.976 -11.449 -5.750 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 18.837 -11.367 -18.104 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 2.634 -5.968 0.927 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 -4.766 -0.095 0.003 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 7.665 -14.537 1.023 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 -5.754 1.636 0.482 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 -10.487 -0.552 -11.794 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 5.145 8.014 -1.900 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 -0.152 2.085 3.156 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 31.544 -33.507 14.124 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 -23.260 11.673 -6.054 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 -4.960 -0.047 4.585 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 23.251 -19.723 10.166 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 0.854 2.427 12.235 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 6.348 1.547 2.606 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 -8.966 -12.922 19.322 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 24.640 -7.831 6.701 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 1.632 4.437 -2.711 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 15.815 -25.115 6.176 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 -1.554 7.604 -2.502 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 -0.981 1.490 -1.280 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 -8.108 6.433 1.792 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 -6.998 -5.612 -13.218 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 0.234 5.308 -2.221 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 17.447 -2.441 9.645 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 -4.668 -8.070 -6.137 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 5.700 1.592 3.829 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 -11.989 0.519 -1.645 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 3.947 13.998 -18.612 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 -2.782 1.085 -4.398 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 8.946 1.105 -4.276 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 -2.514 -0.483 -0.096 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 5.303 -3.505 -1.567 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 6.850 -7.384 -3.957 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 1.397 -11.652 22.016 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 0.275 2.549 -2.247 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 -12.977 13.676 -13.116 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 3.005 12.981 11.559 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 -6.619 3.403 0.504 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 -8.314 4.968 -1.710 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 -9.581 5.452 4.290 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 2.390 -1.005 0.541 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 4.081 -19.878 -7.370 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 2.569 -2.495 -1.064 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 -4.400 2.460 -0.156 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 -9.010 32.948 -11.597 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 10.995 4.361 -8.654 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 -5.692 2.864 -2.451 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 6.518 5.871 -8.790 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 -15.165 0.594 2.834 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 -4.690 3.583 -1.120 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 -24.950 -5.282 -5.738 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 -3.741 30.487 -2.736 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 7.503 2.368 1.501 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 4.185 -7.258 -3.942 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 -0.136 6.292 8.927 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 3.373 7.719 3.234 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 4.215 10.938 -1.631 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 5.512 6.647 3.528 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 -0.993 3.403 -3.677 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 6.069 -1.396 -9.724 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 -6.342 9.443 12.189 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 -0.269 1.167 3.618 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 8.289 10.697 14.169 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 7.087 3.568 14.871 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 -1.923 6.926 -0.551 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 -0.877 -4.977 3.750 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 -3.176 -13.360 6.056 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 -0.102 4.843 2.671 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 -39.178 9.108 0.213 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 -4.398 -6.253 32.547 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 3.639 2.195 3.125 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 30.131 -25.660 -5.983 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 8.003 -2.583 1.143 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 -1.027 1.137 4.157 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 -6.729 0.281 13.949 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 -16.402 8.590 9.173 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 -0.509 5.002 -2.492 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 13.270 -3.657 -25.834 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 24.428 16.263 -22.018 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 2.116 -2.833 0.457 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 3.044 10.936 -0.673 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 10.457 12.667 3.155 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 -0.877 0.564 -2.713 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 -3.746 5.198 -6.837 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 15.526 -28.102 -9.210 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 4.245 1.002 -1.650 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 -9.542 14.769 -4.906 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 -5.683 -9.378 6.364 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 -2.791 2.075 9.424 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 14.362 -1.377 -5.219 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 -9.981 6.645 2.882 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 1.830 4.950 0.076 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 18.459 32.847 7.169 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 -8.113 3.040 5.354 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 -4.613 6.934 0.427 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 -7.384 1.770 9.389 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 0.859 -0.329 -6.062 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 -2.730 -6.072 -2.295 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 -24.672 -10.921 -1.682 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 6.732 -22.366 -12.900 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 4.312 11.928 4.262 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 13.439 10.055 -5.364 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 -9.511 -1.488 1.029 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 -1.264 -2.265 -2.519 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 20.092 -8.106 4.401 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 13.438 -0.044 -18.703 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 4.724 1.942 -1.319 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 5.455 -0.112 -4.514 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 4.806 6.838 -1.272 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 5.836 1.432 -1.352 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 -13.185 -1.075 -10.783 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 -10.180 1.954 -3.233 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 0.153 -7.678 5.395 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 -1.521 13.178 15.526 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 -15.997 -18.753 21.438 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 -0.086 2.885 0.340 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 -4.294 15.064 -4.711 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 -0.919 5.059 18.290 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 -4.029 3.238 -3.547 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 -2.301 -3.666 -0.905 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 2.616 4.087 9.542 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 -1.433 -3.153 -2.461 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 0.301 -10.103 -4.233 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 1.075 -6.947 3.577 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 -4.455 0.683 -1.936 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 -14.797 1.759 -14.154 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 7.906 8.573 -6.962 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 -1.968 -0.843 -6.740 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 -23.428 -5.678 -1.079 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 -10.608 4.072 -7.106 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 0.197 16.152 -3.181 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 0.305 20.862 -8.135 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 4.740 12.269 -4.021 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 -2.715 -0.155 -7.192 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 -18.569 -23.443 21.124 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 3.674 8.119 -15.755 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 0.260 0.928 -3.450 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 -4.351 1.621 -3.994 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 2.036 5.542 -3.255 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 -2.321 1.450 1.194 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 5.618 -0.324 -5.647 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 0.005 1.302 -2.828 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 2.588 3.157 -2.142 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 2.036 9.586 -0.411 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 -3.089 4.671 -10.623 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 5.393 2.577 -1.939 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 18.500 -29.519 27.291 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 -2.606 14.052 -1.342 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 -0.777 -6.953 -4.994 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 8.639 -1.061 -11.170 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 3.483 -7.559 -0.872 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 -7.650 7.013 -1.866 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 -7.214 15.734 -5.232 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 10.158 18.830 7.870 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 2.889 -1.551 4.323 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 10.950 18.439 -7.151 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 12.581 -14.511 16.458 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 -1.434 -3.165 6.051 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 2.260 7.213 3.541 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 -9.521 -2.460 5.039 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 0.560 -3.288 -1.461 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 15.921 -4.511 -3.205 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 -1.122 2.399 12.114 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 1.929 3.426 2.703 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 1.291 0.291 2.777 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 -2.571 8.609 -11.971 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 2.027 3.603 0.675 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 3.692 24.929 -19.072 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 14.295 -26.958 32.688 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 -1.395 2.084 2.657 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 -0.003 6.386 -25.117 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 -12.796 7.855 0.097 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 -1.252 -3.482 3.411 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 -14.799 -2.706 6.538 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 -18.923 -4.011 -0.368 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 -6.338 3.552 -4.629 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 1.794 3.554 -0.119 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 -5.985 10.519 -10.791 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 -0.334 -1.987 2.986 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 4.274 -3.671 6.111 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 -21.056 -3.062 -4.405 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 0.831 1.203 -3.062 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 -7.878 -1.011 -6.951 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 25.979 -17.529 19.092 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 0.535 1.698 -0.546 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 -10.239 0.370 -9.778 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 -19.076 2.762 -8.662 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 -0.333 3.114 4.398 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 1.546 8.142 7.824 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 3.794 2.615 -1.433 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 -6.783 0.094 5.035 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 11.974 -17.132 17.775 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 31.113 -12.972 -5.575 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 -8.334 5.005 -0.268 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 -5.716 6.704 3.834 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 -14.816 -0.275 3.173 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 4.274 5.021 -5.733 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 7.636 -2.000 15.665 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 -9.224 -3.804 23.285 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 -6.040 -0.092 0.555 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 -7.639 21.075 -16.262 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 -34.210 11.770 24.964 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 -3.393 0.454 -0.245 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 0.950 10.225 -11.597 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 7.687 16.382 -11.507 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 2.746 -1.561 -1.434 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 6.548 -12.217 -4.528 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 7.919 3.819 -23.161 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 0.797 1.812 -3.518 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 8.675 11.078 -6.673 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 -12.243 -2.867 -5.572 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 3.667 1.848 3.400 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 6.576 -8.618 25.376 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 5.097 -3.689 12.507 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 0.872 0.045 5.411 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 4.379 3.456 -0.945 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 -4.705 -5.015 11.273 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 0.810 -1.473 -4.696 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 -5.145 0.511 -3.107 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 11.338 10.117 6.847 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 -1.788 -2.316 -5.266 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 -21.453 -1.214 -6.565 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 3.582 -10.318 -20.691 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 -3.793 -3.932 1.025 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 -4.653 10.681 20.056 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 -17.924 -5.760 -10.747 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 7.126 -4.774 1.868 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 1.056 4.679 8.945 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 17.537 -0.733 -21.934 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 1.032 3.811 -2.195 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 12.186 -8.152 6.705 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 12.007 -9.933 15.567 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 1.920 -2.469 0.135 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 5.835 -13.265 18.098 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 -18.697 3.760 2.329 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 2.642 1.001 -2.306 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 -1.398 -7.461 18.111 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 -0.856 -6.679 19.357 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 -4.815 -0.242 11.108 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 -9.889 -8.668 3.835 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 10.017 4.801 -0.942 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 3.380 -5.407 -1.849 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 2.739 -3.028 -10.508 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 0.416 -12.133 0.948 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 0.950 0.701 4.196 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 2.183 -1.887 3.664 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 4.775 9.544 -0.979 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 -1.627 -3.746 -2.771 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 3.640 -27.537 4.074 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 5.947 1.757 7.580 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 0.885 1.773 2.503 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 -5.462 -13.580 -8.933 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 -7.842 7.804 10.826 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 -7.635 6.287 -0.254 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 -7.352 0.521 -27.985 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 -0.454 -13.863 9.983 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 3.635 -4.730 -4.739 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 26.931 -5.954 17.849 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 -15.895 -11.766 -2.148 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 2.797 9.969 9.216 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 9.333 10.370 6.850 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 -11.435 2.664 22.794 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 -2.205 1.385 -4.765 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 -11.580 6.818 -0.447 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 0.618 -0.068 -6.151 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 -0.286 -0.393 -1.269 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 -7.227 6.842 -2.717 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 3.387 -4.371 -0.761 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 4.298 3.137 -0.282 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 1.736 8.127 2.776 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 1.963 -5.430 5.037 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 -7.056 -2.973 3.352 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 -8.429 -1.179 2.590 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 -8.954 -10.603 6.342 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 -6.323 -6.369 -3.918 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 -4.978 -6.898 -2.547 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 -5.394 -7.078 -2.749 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 3.460 5.193 -3.292 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 19.075 15.367 -9.015 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 24.655 -7.873 -5.426 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 -7.745 -3.726 3.788 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 0.016 9.904 -5.244 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 13.478 2.031 7.233 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 3.730 2.302 -0.450 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 2.849 12.921 0.891 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 -3.348 2.410 3.512 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 -1.576 -1.367 2.002 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 -4.398 -2.716 -14.048 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 -12.636 -11.947 6.197 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 2.358 6.645 -5.550 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 -23.613 -17.399 -12.180 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 -12.342 -0.357 -9.823 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 -3.755 -5.033 -5.871 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 -4.720 -12.427 -5.404 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 -1.987 -3.788 -13.036 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 -5.200 -3.750 -1.201 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 12.325 4.196 0.046 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 -7.716 14.443 -16.598 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 0.116 1.011 1.666 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 -3.771 -0.268 5.719 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 3.030 -6.914 1.323 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 -6.424 4.175 -5.255 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 -6.208 -0.079 0.843 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 4.210 -19.074 7.367 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 -2.119 0.134 -3.587 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 -5.545 -0.526 5.104 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 21.080 16.442 5.972 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 -5.722 -4.843 -0.689 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 -13.521 -11.438 -7.143 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 -2.195 -14.147 11.886 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 -0.322 -1.389 -2.532 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 27.213 1.342 7.404 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 0.740 6.996 -29.194 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 6.164 1.023 -6.986 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 7.039 1.862 -3.090 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 2.599 -0.582 -9.330 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 3.397 7.453 -1.335 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 -10.625 -9.944 26.313 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 17.985 5.521 -8.097 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 -2.264 1.784 -3.031 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 -16.864 22.741 0.622 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 -2.619 2.926 -6.233 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 -3.718 -2.699 -5.264 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 29.114 -5.500 -18.062 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 -24.045 -0.951 2.304 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 -3.024 6.600 1.163 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 2.963 9.743 -18.942 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 -3.598 6.293 -14.572 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 -2.258 4.377 3.431 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 2.591 19.682 -25.884 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 25.663 -27.287 6.720 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 6.047 -4.477 3.577 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 -5.838 -0.919 0.958 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 22.128 -0.387 -3.389 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 -3.755 2.438 0.558 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 13.427 -1.864 -10.735 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 -18.918 -21.069 7.695 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 1.805 2.021 -4.446 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 13.486 -25.015 -10.644 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 -10.571 3.002 11.002 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 -2.350 -0.583 0.028 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 6.442 0.831 12.498 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 -5.198 -6.402 -7.120 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 2.481 -0.364 4.070 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 -3.750 15.053 6.236 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 -6.260 5.273 1.858 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 -1.132 -6.366 -2.488 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 -8.688 -0.476 -23.404 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 -19.626 -18.076 14.353 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 -0.298 -2.372 -5.665 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 -1.289 -4.322 -2.038 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 6.173 -3.214 5.936 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 3.078 -0.914 -0.570 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 1.568 -1.831 0.820 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 -4.883 10.230 7.353 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 1.214 1.481 -2.470 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 -5.433 -1.808 -4.007 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 -0.395 3.445 -1.059 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 -10.282 -0.613 5.130 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 32.032 -4.984 -2.559 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 -4.691 -1.513 8.583 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 -0.108 2.710 -3.506 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 7.401 -13.376 17.531 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 16.067 10.312 -3.126 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 -7.010 1.586 5.110 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 0.204 -8.312 9.222 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 -10.835 4.280 0.377 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 3.917 -2.265 3.370 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 19.665 -3.714 -3.036 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 0.387 26.670 -4.394 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 -4.171 0.356 -4.904 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 -5.992 4.586 2.831 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 -1.013 -12.491 -27.990 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 -2.038 1.330 2.881 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 -5.817 6.220 19.003 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 3.826 -34.481 12.216 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 5.619 0.026 -10.479 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 -7.226 -11.017 -2.632 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 -3.143 0.900 -5.054 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 -5.449 -7.380 -3.716 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 -4.049 12.456 -7.349 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 -20.044 -6.976 -9.067 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 0.798 -1.636 -3.785 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 -2.513 5.048 -13.007 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 -14.674 8.795 10.965 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 -4.826 -3.171 -0.875 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 13.262 -9.893 8.644 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 -3.126 -6.180 5.984 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 6.407 0.044 -2.473 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 5.731 -5.795 -9.258 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 6.669 7.862 -5.391 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 -2.019 -2.951 -3.614 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 4.793 2.448 -18.754 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 -7.386 2.802 6.575 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 9.132 -7.801 0.236 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 -18.971 -8.063 9.012 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 -10.160 -39.931 -18.615 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 5.266 -4.064 -2.842 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 12.891 -4.088 -11.736 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 1.788 4.467 13.274 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 1.277 0.572 1.519 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 -18.071 24.175 8.615 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 3.043 7.688 -4.456 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 -2.749 0.088 3.888 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 -19.643 -4.584 15.019 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 9.870 -14.820 9.678 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 2.170 5.759 2.567 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 -7.365 4.592 -9.463 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 -8.372 14.711 1.743 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 1.636 0.458 7.919 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 -0.826 15.014 -14.072 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 2.403 -4.103 15.059 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 0.252 -1.392 3.946 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 14.890 -4.687 16.184 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 -3.284 25.183 -5.404 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 -1.037 3.681 4.659 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 1.174 5.862 5.219 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 5.623 3.188 12.307 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 5.710 7.028 0.034 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 -18.943 15.343 4.417 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 10.433 0.876 -5.543 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 -0.188 1.059 -1.160 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 0.382 -2.788 5.874 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 5.393 -5.903 -9.866 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 4.787 -0.579 -1.016 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 -19.740 7.801 -6.252 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 6.823 2.013 -10.148 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 4.010 -2.045 0.767 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 17.036 -5.697 -15.728 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 2.901 14.729 0.900 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 -5.063 3.996 2.934 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 -9.977 18.076 -9.086 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 -9.293 1.335 -6.111 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 2.771 5.359 0.827 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 6.489 -0.260 15.083 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 10.690 6.486 -6.270 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 3.240 4.823 1.145 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 2.962 15.622 42.976 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 14.256 -24.152 32.299 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 5.604 -0.327 2.166 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 9.659 12.646 -4.410 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 -2.496 -4.023 -5.887 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 -6.734 0.116 2.796 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 -6.938 10.057 24.427 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 6.753 -3.855 -48.612 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 -2.838 5.738 -3.221 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 -3.210 6.419 -9.496 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 -13.689 1.268 -6.673 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 -0.497 -1.778 -1.954 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 -4.140 -11.278 19.382 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 -8.957 0.146 0.722 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 1.062 2.134 -1.777 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 23.796 5.595 12.479 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 45.359 28.831 -29.279 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 6.067 11.334 -8.107 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 -4.392 -3.466 -7.883 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 4.057 5.748 -8.001 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 -4.114 -1.280 -1.311 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 15.524 4.061 -25.998 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 3.821 5.301 -26.432 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 -1.280 -1.201 2.744 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 -8.737 -1.615 -4.142 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 -15.987 36.126 12.036 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 0.958 0.909 -2.572 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 -2.235 -27.376 -12.440 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 22.228 -12.010 -7.249 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 -9.332 -5.616 0.038 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 -3.562 -10.783 -1.429 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 -8.502 -10.315 -0.348 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 -0.689 -1.722 2.968 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 10.411 -7.796 7.505 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 10.593 -3.971 -12.892 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 -2.541 -12.670 6.320 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 0.270 -9.517 -7.256 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 12.585 -13.287 18.311 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 -1.751 4.005 0.668 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 10.342 25.607 6.951 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 -7.140 6.732 -7.943 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 11.932 -2.052 -0.761 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 15.359 -2.726 -6.226 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 10.814 -1.964 -1.429 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 -6.562 6.649 0.625 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 1.069 -5.710 4.457 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 1.965 1.922 2.007 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 10.747 -0.003 -0.407 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 9.663 0.345 6.244 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 14.850 1.431 -1.881 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 2.214 -9.993 5.109 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 -4.558 -4.081 5.215 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 2.630 3.735 2.732 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 5.016 -1.262 -6.730 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 5.654 20.016 -9.323 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 12.579 -15.432 -2.855 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 2.781 -3.522 7.787 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 13.717 2.671 11.237 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 3.734 -3.098 9.282 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 -0.623 1.461 -1.642 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 -3.108 -38.256 13.545 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 -1.484 -3.259 -3.116 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 1.419 -1.753 -3.757 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 18.675 -16.888 2.227 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 7.015 -22.291 22.662 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 -2.995 -6.663 4.776 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 -4.086 -2.878 12.124 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 -13.091 -15.992 -3.225 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 -0.626 -1.334 6.155 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 -17.153 -27.559 -14.013 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 -2.840 -5.120 5.793 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 0.299 -2.145 2.504 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 -10.485 12.461 8.971 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 -19.714 21.928 8.393 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 3.795 5.715 0.696 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 12.244 -10.763 2.740 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 16.280 9.470 -2.688 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 -0.639 0.061 4.934 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 -13.907 -20.612 19.947 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 14.206 -27.651 3.832 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 -5.238 -0.258 -0.457 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 5.409 5.693 -5.554 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 -14.479 -18.735 8.674 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 -0.907 -3.450 2.944 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 -6.683 -6.525 9.652 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 -8.748 -8.241 8.651 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 -9.262 2.160 -4.676 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 0.442 13.574 7.128 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 2.210 20.554 -14.415 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 2.914 0.097 -4.261 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 14.542 -6.183 -8.977 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 17.821 -12.837 -13.189 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 1.767 -3.610 -5.537 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 -4.425 11.014 -6.874 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 4.782 -13.672 -8.078 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 -1.501 -1.030 -0.364 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 -3.263 -11.141 -11.006 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 -3.277 -15.584 5.527 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 0.446 -0.077 8.356 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 -7.198 8.166 11.539 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 2.897 2.246 10.622 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 -0.330 -2.257 0.051 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 2.062 1.511 4.330 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 7.520 6.299 -5.945 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 -0.808 -1.460 2.124 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 1.442 -1.550 2.900 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 -8.224 6.109 28.713 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 5.214 1.842 -5.014 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 8.558 -6.230 4.257 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 3.873 1.122 1.194 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 0.946 -2.934 -5.343 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 -5.289 -6.225 -13.334 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 11.599 -2.936 -5.620 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 -3.843 4.821 3.521 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 27.280 7.407 -14.178 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 -17.535 5.372 -25.818 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 -4.348 7.858 4.181 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 -18.445 -3.198 8.196 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 10.096 -0.435 0.265 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 4.127 -4.508 2.311 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 7.085 -21.351 15.242 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 3.757 -5.504 3.501 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 -0.469 4.912 -0.415 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 2.797 -3.736 1.033 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 -3.336 3.008 1.633 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 2.135 3.362 0.122 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 -5.724 -5.422 -47.575 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 12.372 8.921 -14.535 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 5.256 -0.228 -3.402 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 -9.948 -4.426 -0.090 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 10.777 -2.754 -5.159 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 -9.527 -2.833 -0.557 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 -8.810 -10.178 5.356 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 -11.774 1.471 -12.536 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 -4.304 -2.918 7.104 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 -1.375 -4.419 -3.425 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 -4.502 -3.818 1.012 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 1.496 2.799 -1.142 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 15.684 -1.863 21.527 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 20.239 -5.758 -5.512 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 1.421 -8.467 4.704 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 -1.512 -11.048 10.797 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 6.282 -14.046 0.145 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 5.210 1.845 2.637 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 -5.307 6.348 -5.199 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 8.879 14.448 9.257 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 4.383 1.321 -1.359 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 15.212 -6.832 -21.477 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 -10.031 -8.144 -1.080 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 -5.460 2.659 0.019 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 12.302 -13.354 -13.031 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 -1.703 -28.303 -17.966 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 5.449 0.675 1.352 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 20.438 19.419 -1.479 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 16.952 2.880 7.008 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 -3.591 -0.778 -4.821 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 -6.315 -3.505 -4.473 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 -8.226 -1.817 -1.968 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 3.460 1.768 -0.991 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 1.813 -1.892 -13.912 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 1.169 8.555 3.429 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 3.384 7.664 -0.043 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 7.725 6.353 8.751 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 -4.536 9.850 -17.726 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 1.409 -1.297 -4.115 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 14.154 -7.926 1.627 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 -20.204 -5.864 8.335 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 0.846 -0.411 6.072 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 8.659 10.602 6.553 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 -12.913 -17.626 5.723 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 -0.762 -8.485 -3.663 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 -7.391 4.895 12.901 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 18.142 -0.691 9.076 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 6.183 -5.798 4.557 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 -0.299 -6.400 7.020 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 7.163 -10.884 -2.295 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 2.574 2.240 0.563 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 24.499 5.930 15.166 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 5.784 -17.279 -17.808 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 -7.645 -0.101 -4.701 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 -2.493 14.051 -7.046 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 -2.096 1.098 3.391 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 1.470 1.550 6.588 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 -14.678 -13.601 -1.073 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 -9.239 10.803 13.530 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 3.880 1.177 -4.016 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 5.371 3.914 7.202 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 -0.291 2.588 -10.684 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 -3.032 -2.646 4.267 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 5.123 -7.961 6.142 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 -2.900 -8.526 4.259 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 3.462 -3.377 -3.766 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 2.861 -2.087 -5.420 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 -4.757 -0.768 -10.732 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 -0.484 0.994 -6.622 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 -4.431 -1.387 10.526 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 -7.545 -11.852 -10.587 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 -0.373 5.735 -2.942 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 -29.979 1.627 0.916 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 0.873 9.253 -4.695 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 -0.301 -4.910 2.457 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 1.894 -8.734 3.934 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 1.679 -5.657 3.632 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 -1.139 0.617 1.249 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 -7.266 5.694 9.456 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 32.381 7.812 -4.909 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 -3.673 6.806 5.339 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 14.683 -4.404 -10.677 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 -6.718 25.255 7.927 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 -1.721 5.008 -5.410 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 11.160 5.171 -0.490 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 2.515 -3.582 6.579 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 7.685 0.230 5.953 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 20.965 15.158 5.626 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 16.125 -12.515 17.042 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 3.678 -0.871 2.783 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 14.125 -4.929 -13.555 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 5.383 17.170 3.462 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 5.396 -3.852 3.648 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 10.082 -36.999 -27.460 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 -25.574 34.234 2.027 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 -7.577 6.197 -0.215 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 17.680 -1.553 -3.940 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 -22.016 3.793 10.982 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 -1.202 -4.415 0.787 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 8.116 17.663 -26.430 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 1.094 11.299 4.118 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 5.408 -6.404 -7.312 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 -12.044 -25.507 -0.951 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 18.393 -2.957 4.329 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 4.130 2.428 -4.119 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 0.472 10.382 2.822 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 7.465 -1.424 -12.855 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 4.383 7.251 2.861 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 -2.153 23.283 8.554 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 5.419 -2.581 32.762 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 -6.179 -4.728 7.060 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 -2.640 -9.250 -1.503 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 -8.222 -4.168 12.130 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 -2.302 -4.595 2.327 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 -12.110 -2.903 -4.114 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 5.149 -5.488 7.802 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 0.245 2.552 -2.228 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 -5.607 -0.563 -13.862 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 -8.981 -9.212 -5.953 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 6.660 4.803 8.627 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 23.249 -2.973 -17.077 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 14.809 -10.987 30.913 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 4.654 0.584 2.944 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 10.703 3.452 -2.190 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 2.470 3.872 4.034 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 2.420 2.242 1.835 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 -19.076 -1.657 -10.230 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 1.702 -3.602 24.770 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 1.952 6.484 2.620 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 5.725 -1.090 0.703 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 -2.896 13.637 -1.506 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 -0.510 6.125 0.753 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 -35.457 8.887 -6.528 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 -6.756 -15.542 -22.682 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 4.247 1.946 2.114 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 5.220 11.239 -10.235 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 2.618 13.803 8.976 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 -7.520 1.816 0.080 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 0.470 28.275 -14.096 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 -8.552 -6.935 4.467 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 -3.287 -1.110 -2.751 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 -4.739 -7.442 1.962 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 -2.250 -1.690 -4.870 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 0.401 -6.009 3.485 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 -0.362 -6.343 -8.099 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 0.317 10.377 -23.229 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 2.792 -2.067 -3.867 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 11.274 -12.838 2.091 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 -9.367 -9.283 10.158 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 -2.536 -0.459 6.694 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 16.009 16.956 -4.976 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 -19.959 -11.190 -11.123 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 1.539 -1.323 4.599 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 8.314 2.926 2.538 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 10.165 1.533 2.045 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 3.194 0.646 -4.310 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 -0.729 -18.014 6.053 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 9.617 9.592 -7.513 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 3.097 -1.363 -2.733 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 18.624 -6.896 -4.096 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 -5.206 -15.701 5.731 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 1.125 -0.941 1.255 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 8.102 2.317 -14.242 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 -0.262 -6.954 4.872 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 -1.991 -3.911 3.245 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 -1.186 -3.116 -1.691 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 0.739 -0.334 -18.188 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 1.996 -4.401 3.804 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 21.613 16.642 16.863 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 0.433 -10.129 6.068 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 -2.124 -4.160 0.212 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 18.639 -3.055 -4.593 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 -8.148 -6.320 -22.603 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 -1.246 0.700 -0.914 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 -2.022 5.627 13.059 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 -7.575 -17.964 -20.311 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 -11.745 -4.299 -1.381 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 10.105 -7.275 10.276 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 3.555 -10.425 7.279 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 -2.401 -2.179 2.675 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 10.269 -5.988 1.051 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 -8.467 -8.858 12.261 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 4.428 -3.196 -2.306 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 -19.772 2.950 -16.712 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 19.850 -0.556 20.622 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 1.471 1.993 -4.321 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 4.689 5.187 -1.125 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 4.844 8.530 3.372 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 1.283 8.376 -0.445 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 -1.562 -1.809 -5.993 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 13.598 1.733 -22.317 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 0.870 1.666 1.018 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 11.362 -0.678 2.344 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 -5.198 -8.263 2.335 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 2.723 -1.541 5.539 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 -22.037 20.022 15.035 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 -15.184 1.720 -2.688 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 -0.805 -0.212 3.515 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 -0.796 15.005 5.591 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 -5.421 -0.679 -13.279 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 -0.440 -5.066 -5.015 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 -7.618 13.351 4.072 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 -25.126 -16.007 9.502 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 -2.855 -2.475 3.663 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 -9.101 -2.337 -3.869 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 -12.867 -29.783 -0.433 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 -0.795 4.648 -1.669 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 -15.694 8.137 0.961 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 11.166 -7.243 -11.076 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 2.160 -0.898 -1.182 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 35.691 -5.358 15.389 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 -10.047 1.514 -10.785 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 1.117 -0.741 3.477 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 -20.479 -2.511 15.632 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 10.570 -12.178 13.601 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 -3.980 -0.021 3.812 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 -1.069 2.623 14.914 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 -1.350 2.250 13.046 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 6.003 -1.789 -3.251 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 4.746 4.122 -12.422 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 -9.396 14.564 -13.439 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 4.877 -0.815 -0.724 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 3.964 -5.825 -4.762 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 5.060 10.290 8.847 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 -3.429 4.439 0.705 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 -4.610 19.064 16.613 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 -9.241 -23.597 -3.704 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 1.534 7.426 2.018 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 -4.462 -5.572 5.285 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 12.929 18.905 -1.415 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 -1.991 -1.421 -1.218 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 -8.636 -7.969 -13.114 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 -0.255 -11.348 8.301 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 -8.336 -8.042 0.556 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 0.544 -3.142 -23.493 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 15.313 -13.042 -26.743 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 -7.825 1.772 -6.179 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 1.126 1.573 -18.719 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 7.966 -3.479 -27.805 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 -4.075 4.129 9.245 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 8.726 -7.543 2.243 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 6.029 -10.110 -5.334 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 2.498 1.148 0.033 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 7.908 16.378 5.775 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 3.295 1.159 -3.015 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 1.098 -5.055 0.937 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 -4.540 8.666 -3.263 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 12.998 -4.948 9.870 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 -5.351 0.906 -4.183 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 -9.043 -2.138 6.835 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 5.570 -2.706 -21.953 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 4.061 -2.278 -1.150 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 16.131 -6.355 -0.688 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 -4.669 -3.439 -1.030 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 1.200 -0.086 -0.193 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 3.685 -9.696 -1.605 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 7.638 1.656 -0.607 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 3.315 1.201 -1.026 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 -22.338 -3.446 -12.593 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 -17.384 -4.221 -2.705 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 -3.335 4.968 1.809 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 0.240 20.534 7.363 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 5.008 22.674 14.225 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 -2.689 1.854 -2.247 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 -6.077 3.319 -3.477 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 2.238 -2.661 -10.372 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 -4.818 -2.671 0.967 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 11.402 -7.165 2.018 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 17.080 -6.899 5.510 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 5.682 6.503 4.713 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 -8.538 3.894 -22.315 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 6.372 12.275 25.937 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 -0.618 5.739 0.197 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 4.421 -7.485 -5.844 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 11.370 13.494 5.446 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 -8.039 1.659 0.968 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 -4.627 -3.636 -5.812 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 8.035 -2.642 7.512 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 -4.076 4.379 0.216 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 -7.435 2.474 10.101 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 -13.753 1.115 3.852 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 -5.061 -2.248 4.481 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 -21.877 4.655 -11.689 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 7.170 8.541 6.379 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 0.053 -3.362 1.912 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 -8.183 -4.696 12.895 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 7.471 6.571 1.794 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 2.163 -1.382 3.329 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 -0.076 -0.567 9.245 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 1.614 -1.891 0.630 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 -2.516 0.878 5.059 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 -17.580 -26.763 0.888 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 14.698 5.063 -20.603 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 -3.177 -10.119 -2.584 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 -10.512 3.567 -0.575 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 -4.628 18.102 1.756 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 5.136 -1.386 -1.446 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 4.441 24.928 -5.134 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 -5.755 -20.754 -14.152 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 -4.820 -0.363 -4.470 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 1.547 -10.555 32.605 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 -7.132 8.869 -0.371 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 1.514 -2.891 -2.758 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 15.795 -4.321 -8.906 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 1.691 11.385 -3.175 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 0.929 -0.226 -4.274 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 0.040 -0.193 -5.512 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 4.044 -3.440 8.950 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 4.952 -3.111 -4.261 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 -14.130 -17.644 7.463 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 26.499 -14.840 20.804 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 -1.144 3.301 -0.180 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 -0.118 -21.317 17.419 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 6.738 11.056 -13.349 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 -3.647 6.294 -5.012 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 -11.254 20.654 -2.073 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 -1.779 -1.508 5.467 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 -2.822 2.183 4.781 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 11.479 7.933 31.467 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 19.266 -1.791 -25.804 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 -0.849 -2.633 2.780 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 -4.479 -4.013 3.997 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 -1.273 -3.508 -2.754 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 -2.861 -1.709 4.891 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 0.868 -2.269 -0.000 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 -5.753 3.268 3.788 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 -0.549 0.300 0.510 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 10.702 26.405 -6.813 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 -16.925 -3.254 -17.925 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 -0.616 5.433 3.262 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 -16.134 -7.258 -4.192 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 21.997 -19.024 -3.025 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 -11.187 5.066 8.004 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 -0.033 -12.534 -10.460 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 -16.486 -7.428 -26.191 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 4.499 5.155 0.632 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 -14.255 -3.050 -16.866 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 -26.588 -9.194 -20.357 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 1.290 1.514 1.643 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 12.800 18.580 16.259 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 -19.237 2.253 4.453 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 3.535 -3.168 3.097 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 18.128 9.038 12.866 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 6.977 -0.445 -2.516 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 -0.807 -3.423 -2.686 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 -3.635 1.750 -16.502 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 -7.299 -7.825 8.618 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 4.722 2.043 -2.437 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 6.710 -9.735 -6.602 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 -4.281 -3.575 5.020 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 0.620 0.398 2.375 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 -9.911 -4.668 -2.408 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 7.001 -6.852 9.812 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 -0.640 -2.778 -6.907 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 -3.553 -1.324 2.389 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 -4.857 0.229 0.318 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 -2.106 6.343 3.544 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 -15.069 3.927 4.205 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 -11.351 -7.425 1.966 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 -2.346 0.082 0.404 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 3.724 8.888 -9.230 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 -8.289 -5.783 10.464 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 -0.444 2.108 -2.646 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 3.691 -3.666 -19.037 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 11.081 14.478 -1.014 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 -8.675 -4.235 0.789 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 3.111 -17.301 13.852 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 -7.549 -8.552 -14.540 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 -4.854 -4.273 -1.040 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 -3.059 18.973 13.282 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 8.713 -22.358 -23.660 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 -2.051 4.296 -0.606 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 -13.821 -0.972 -6.090 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 0.799 -5.416 -6.384 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 -5.013 7.929 -8.332 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 -18.193 8.603 -2.613 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 -10.794 -0.689 -2.637 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 2.593 3.495 -5.433 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 -17.804 16.416 -6.170 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 14.797 25.206 2.584 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 5.728 -2.833 -3.127 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 7.418 -22.158 -2.827 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 12.936 6.196 -19.255 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 -0.740 -3.290 -0.075 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 -10.263 22.935 -10.820 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 13.568 -5.563 -6.784 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 2.878 1.529 3.467 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 1.344 -13.085 -2.385 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 -3.970 -16.069 -1.598 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 -4.602 -1.650 -0.650 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 16.400 13.950 6.026 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 -12.698 7.909 -23.977 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 2.045 0.597 3.731 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 16.664 -22.438 -9.976 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 1.053 14.077 -13.321 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 -6.046 -5.711 6.042 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 -11.997 0.453 3.430 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 -5.460 -0.778 2.773 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 0.552 -4.122 -7.004 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 9.950 -15.395 2.053 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 11.166 5.781 -13.238 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 -2.159 -3.569 4.241 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 -1.483 -11.819 -5.051 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 -12.407 6.189 1.631 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 -2.950 3.766 5.418 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 13.139 9.419 -2.831 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 1.551 10.406 -1.459 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 2.616 -0.461 1.226 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 20.187 5.171 -4.582 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 20.619 5.065 -6.409 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 0.661 -2.598 -0.700 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 -5.829 3.722 6.618 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 1.120 -3.324 -0.225 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 -1.704 4.606 13.753 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 -8.605 3.652 -1.742 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 -17.394 0.689 -16.736 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 1.709 3.217 1.068 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 5.760 6.426 -1.021 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 3.252 -3.667 0.169 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 1.903 0.877 0.764 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 4.209 3.023 -0.132 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 10.039 7.264 -5.586 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 1.398 6.016 3.942 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 7.498 22.785 13.737 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 15.506 -5.074 0.839 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 -1.462 0.296 -0.047 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 2.065 2.192 -6.633 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 12.198 -7.442 -28.907 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 -0.825 0.935 -7.126 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 -3.453 0.180 -4.696 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 7.578 0.822 -5.589 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 -2.753 -2.563 -3.175 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 8.809 -17.450 19.419 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 -7.311 -17.619 14.384 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 11.777 -1.286 4.113 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 12.270 12.217 17.049 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 14.862 6.684 10.815 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 -4.510 1.122 1.345 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 -13.165 -11.004 -1.715 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 0.129 4.683 6.850 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 0.456 -1.678 -0.003 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 5.662 3.994 -20.515 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 15.371 5.545 2.558 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 0.097 -3.366 6.685 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 -10.512 -2.715 -6.933 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 -12.535 -5.475 21.739 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 -6.730 1.643 0.326 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 0.618 12.807 -0.057 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 -5.955 -7.282 -0.113 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 2.223 -1.249 2.016 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 26.685 7.283 -1.297 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 21.213 0.866 -2.258 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 -3.349 2.579 -4.134 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 2.467 -4.563 -13.340 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 1.315 11.597 2.668 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 2.943 -0.612 -2.900 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 21.281 17.260 -13.691 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 -9.868 -12.105 16.047 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 0.584 -0.950 5.562 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 -0.164 12.174 2.032 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 -16.278 -6.103 -11.066 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 -3.132 1.402 -4.210 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 4.281 13.239 3.382 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 13.650 6.152 2.208 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 5.231 4.326 -0.751 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 -3.292 -9.665 -9.998 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 -8.489 0.972 -10.559 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 5.793 -5.291 -5.223 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 0.453 7.039 -19.825 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 -8.162 10.650 7.134 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 3.982 -2.462 -1.943 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 3.517 -1.079 -0.625 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 5.487 -3.372 -7.984 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 -5.264 0.179 5.716 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 -8.467 -5.771 4.596 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 -8.507 3.908 11.468 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 0.923 0.802 0.343 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 -5.756 -3.368 -9.093 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 -19.460 -11.625 -27.346 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 4.603 -5.754 -0.325 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 5.997 -1.927 -1.319 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 -4.477 -5.647 -2.037 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 0.907 6.923 -0.699 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 6.392 17.680 -8.186 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 0.700 10.896 12.362 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 4.797 -3.133 -5.276 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 -3.421 -28.274 -12.978 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 -1.983 6.804 -14.819 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 2.379 0.215 -1.212 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 0.470 -3.126 -1.097 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 6.572 9.303 -1.022 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 -1.745 -0.688 -1.159 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 -2.663 5.314 -6.981 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 -1.689 -9.540 12.013 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 2.714 0.159 4.380 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 0.032 -17.375 5.972 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 4.373 1.808 9.082 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 4.825 4.492 -4.597 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 -9.004 -5.423 -9.791 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 -5.691 7.040 23.996 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 5.116 -3.602 -2.868 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 10.836 12.665 -0.568 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 14.296 -9.798 5.415 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 -5.461 -4.477 -2.350 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 -13.491 5.125 2.244 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 -17.400 8.802 10.682 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 1.359 -1.962 6.540 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 -0.571 -20.010 12.552 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 8.857 -4.773 -17.319 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 -1.271 -0.449 3.418 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 17.697 13.664 11.474 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 9.672 1.846 -14.754 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 0.534 -1.010 4.839 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 -8.441 21.126 16.810 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 -6.335 -15.047 -2.266 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 2.554 -2.043 1.726 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 6.332 -7.419 14.982 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 -2.371 -25.471 -9.690 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 -2.333 3.455 -2.482 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 -6.468 9.514 -8.810 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 10.414 -1.933 13.485 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 2.248 -5.024 7.729 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 -4.129 -24.682 -24.603 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 1.751 -18.645 8.338 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 -2.281 0.323 0.995 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 -6.972 14.109 6.459 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 -10.260 -5.899 -13.351 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 -1.689 -3.392 0.660 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 -4.916 -34.327 0.909 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 -5.480 2.014 -25.392 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 0.233 -6.168 0.994 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 14.243 -15.243 10.827 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 -7.085 -8.245 -16.147 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 -4.335 3.749 -3.289 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 22.628 -6.150 -11.493 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 -3.012 2.824 -0.860 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 -0.182 -4.538 -0.781 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 4.948 5.490 4.641 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 -30.215 26.661 -22.688 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 -5.865 8.595 1.357 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 -12.782 7.622 0.359 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 -20.829 -6.092 11.252 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 0.357 -0.416 4.480 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 5.768 7.877 6.475 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 8.503 5.675 10.278 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 -0.514 -12.316 -0.706 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 -14.660 10.676 11.821 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 -0.831 -1.091 -0.976 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 1.535 -4.789 -1.892 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 2.979 3.720 -6.897 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 3.343 -4.891 3.762 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 5.473 -3.005 4.162 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 5.172 -2.324 5.103 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 18.136 -11.291 -4.608 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 -1.659 3.291 5.990 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 4.481 3.890 -10.635 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 -21.780 9.716 19.834 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 -1.578 -0.962 3.269 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 -18.158 8.340 -8.858 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 -1.685 18.940 7.345 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 1.895 5.144 7.943 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 2.012 4.312 9.512 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 -3.707 4.434 -20.786 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 -6.226 -0.727 -6.403 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 -11.702 -14.679 -1.178 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 6.826 3.610 -10.297 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 -6.831 -2.939 1.667 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 -8.999 1.791 6.317 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 -2.034 -6.012 6.235 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 0.206 -0.849 -3.350 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 20.969 -13.680 30.816 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 9.059 -4.904 -0.572 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 -0.931 -3.217 -0.132 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 -3.084 -3.422 0.808 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 5.119 -1.489 -2.507 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 0.955 0.832 6.524 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 -5.573 3.445 -11.420 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 -25.092 5.200 -21.122 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 -1.756 1.078 6.082 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 -10.477 3.130 7.669 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 2.727 7.982 6.983 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 2.154 2.528 0.956 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 3.121 10.618 0.297 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 -3.826 26.213 1.104 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 -0.888 -1.838 2.372 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 -5.532 -4.883 -4.048 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 5.175 34.463 -2.347 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 2.131 -6.633 1.678 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 3.031 4.517 -32.085 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 2.294 1.086 -7.240 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 -1.098 2.450 3.424 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 0.535 -0.913 5.364 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 0.337 -2.780 3.879 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 1.383 1.783 1.104 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 12.305 -2.059 -0.047 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 10.294 -14.455 0.764 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 -1.989 -0.545 6.973 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 -18.350 26.695 -29.258 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 1.512 -8.096 18.070 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 -0.208 2.826 0.921 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 -2.193 2.317 -4.174 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 -0.901 6.553 3.113 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 1.813 -4.779 -5.975 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 -2.694 -7.368 1.401 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 6.588 -11.443 -8.352 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 4.316 1.395 -4.890 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 6.313 -0.392 -11.078 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 12.915 7.015 4.350 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 5.157 0.699 -0.635 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 -1.218 0.507 -15.892 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 4.906 -4.870 30.122 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 1.701 4.318 -2.259 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 0.735 -5.872 8.402 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 7.190 14.823 12.309 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 -2.042 0.150 1.843 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 -5.567 -4.078 -9.708 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 -8.962 14.303 -0.547 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 -2.086 -3.605 -1.486 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 -5.806 -16.789 14.638 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 -0.963 8.179 -15.400 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 1.097 -4.699 -4.181 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 5.360 -11.290 -4.853 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 -1.778 -4.146 0.460 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 6.192 -3.056 -3.775 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 5.196 5.653 13.841 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 3.181 14.004 -5.357 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 3.039 -1.619 -2.709 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 -5.995 1.073 -20.161 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 3.194 -4.290 -24.705 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 4.062 -5.520 0.609 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 -0.178 1.384 4.586 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 -2.010 -12.241 34.422 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 -0.152 2.827 0.724 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 -19.819 3.845 15.486 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 0.786 3.718 5.013 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 5.471 1.449 3.064 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 7.830 -1.051 5.352 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 5.218 3.486 4.207 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 -1.002 -6.707 -4.240 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 3.940 -12.119 -8.438 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 -2.591 -7.195 13.276 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 6.556 -2.943 4.298 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 -2.810 0.051 7.598 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 16.269 7.373 3.447 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 -2.753 5.482 -6.505 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 2.316 14.235 -3.679 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 -14.374 -3.724 15.367 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 -5.248 2.104 -6.355 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 -7.135 -0.319 -8.158 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 1.034 4.755 -2.580 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 -1.915 -1.622 -3.712 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 -17.372 -2.295 3.173 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 9.284 -3.306 9.809 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 -1.845 -5.973 1.514 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 10.279 -27.425 8.184 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 -5.501 -13.984 -2.474 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 -0.640 -0.811 0.628 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 17.152 -6.214 -8.464 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 -11.226 -5.049 -0.863 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 4.893 -3.220 0.731 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 -15.937 -9.874 21.718 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 20.143 7.533 17.954 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 -1.538 -2.528 1.080 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 -1.944 -7.285 -4.641 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 -8.074 -2.836 5.433 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 3.432 -4.639 -6.251 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 5.042 9.094 -11.715 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 -2.268 -5.842 15.881 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 0.725 -6.848 6.769 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 -5.053 8.529 13.242 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 1.098 -8.487 6.312 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 -2.031 0.151 -5.431 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 -2.053 -3.075 -3.326 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 -1.668 2.775 -7.806 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 -5.078 -1.508 -2.237 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 1.502 -12.078 7.679 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 6.526 -23.059 -6.477 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 -1.781 -7.244 -2.977 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 -0.752 -8.321 -7.040 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 4.922 -24.057 -7.883 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 -1.752 3.508 -1.985 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 -14.214 -1.556 10.221 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 6.620 -7.847 -5.412 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 -0.550 2.311 -1.625 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 -1.524 -0.343 -5.882 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 1.576 12.577 5.682 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 2.330 -4.891 -7.538 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 -32.958 -0.773 -0.040 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 21.439 16.720 17.055 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 0.151 -0.459 -2.594 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 -1.416 -8.016 14.717 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 1.223 -5.321 19.616 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 3.673 5.088 5.917 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 11.141 -8.617 9.515 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 6.267 -9.804 13.164 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 3.258 -2.626 -5.109 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 -10.125 18.813 33.705 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 7.447 -5.791 22.379 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 -2.485 -2.571 7.604 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 0.675 -3.513 11.731 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 -2.258 6.138 4.715 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 -3.913 -3.998 -0.244 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 -3.606 -6.219 5.509 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 -1.369 0.095 -12.630 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 -0.883 -1.208 -2.580 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 -2.392 16.323 -0.832 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 -1.977 -3.354 -5.242 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 7.715 -1.259 3.421 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 -5.719 1.795 1.698 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 8.952 1.821 -6.495 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 -3.992 -1.895 6.439 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 -6.284 -0.544 6.355 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 -26.912 -10.472 2.291 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 0.013 -2.738 -2.058 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 7.021 -6.359 12.765 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 -9.586 2.074 7.815 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 -4.935 0.579 -4.029 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 6.393 -8.846 -4.007 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 -11.461 -5.644 12.157 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 -0.652 -0.905 -6.438 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 -15.528 1.869 8.425 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 19.533 7.585 7.871 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 -3.715 0.666 1.194 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 -14.669 -3.969 17.693 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 -25.401 10.956 9.485 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 6.337 -4.375 -5.540 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 1.365 -8.562 -5.987 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 13.227 5.264 -4.568 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 -3.515 -4.949 -0.267 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 -7.194 -14.717 -3.314 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 -2.411 -10.561 -5.260 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 -3.638 1.367 0.431 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 11.392 -9.452 13.116 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 -11.387 -2.060 -20.249 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 -0.247 -1.030 -0.774 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 -5.578 -6.595 -1.598 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 -9.163 -9.839 3.240 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 2.997 -0.911 3.729 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 -17.617 13.617 -36.895 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 -3.217 -27.948 13.474 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 0.425 -1.687 -2.911 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 -3.603 -6.049 7.802 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 -14.381 -12.447 20.725 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 -5.328 -0.357 -1.882 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 -9.592 22.117 -2.104 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 1.095 -0.404 27.900 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 -1.171 2.927 3.064 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 9.551 2.612 -2.295 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 -6.139 -7.874 13.214 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 1.254 -0.336 -0.019 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 -3.235 -7.860 -0.571 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 -2.718 5.140 -8.592 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 -2.182 2.372 -3.588 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 8.001 4.846 -14.019 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 4.451 -23.784 -8.123 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 2.155 -2.893 0.749 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 25.728 6.243 -0.755 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 -13.330 23.099 -1.212 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 -1.188 0.666 0.079 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 -0.970 -3.841 5.509 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 -4.862 5.063 2.061 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 0.562 -4.569 -4.899 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 2.146 16.495 -1.321 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 -12.877 -6.272 5.717 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 0.274 4.773 -1.099 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 5.312 10.329 -12.863 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 -0.969 17.492 -5.073 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 2.447 -9.950 -3.697 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 24.725 -12.744 7.839 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 0.470 -7.150 5.009 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 1.390 0.480 0.562 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 -3.077 -11.133 16.065 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 4.150 4.776 -5.556 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 -0.307 -1.894 -5.078 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 5.106 -21.578 5.667 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 -23.067 -3.666 -11.976 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 2.755 1.194 0.857 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 11.880 11.352 0.832 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 -7.311 -0.254 1.208 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 6.281 -2.466 2.383 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 2.240 -13.147 8.751 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 7.917 -2.675 7.766 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 0.629 -5.735 2.016 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 -7.068 -3.865 -2.938 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 -2.627 -6.485 10.341 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 2.563 3.829 -2.397 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 18.401 -6.579 -15.512 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 -2.510 10.192 3.863 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 3.302 1.878 -2.102 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 1.941 -5.643 -0.449 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 8.378 4.030 7.596 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 0.909 0.964 0.308 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 0.770 7.637 4.820 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 -0.922 -4.048 0.130 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 -1.281 5.179 -3.226 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 2.832 -18.305 20.241 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 -1.820 8.589 -14.110 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 -1.404 -0.339 5.423 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 16.302 -0.679 -4.028 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 -17.694 5.511 7.572 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 -4.357 -8.701 2.353 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 1.225 -11.028 -23.319 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 -26.759 2.546 11.249 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 1.445 -0.871 -1.655 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 14.576 -16.136 7.241 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 -6.182 12.922 6.957 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 3.610 -1.437 -2.425 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 14.248 3.289 -1.873 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 5.112 -8.579 -10.727 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 2.610 1.775 -7.534 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 7.446 23.650 -1.536 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 9.175 -9.585 -16.321 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 4.628 3.780 -5.514 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 4.629 3.419 1.323 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 29.251 12.269 -10.498 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 6.048 -1.745 5.535 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 9.002 0.132 -8.622 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 -13.418 -9.249 9.484 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 2.023 0.472 -6.132 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 -8.785 5.170 -2.007 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 12.268 5.415 1.527 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 -4.593 -0.678 2.530 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 -18.068 -2.594 -15.007 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 2.416 10.836 16.608 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 1.916 5.338 8.386 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 6.925 -5.586 14.283 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 -6.475 -3.137 18.203 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 3.123 6.575 6.455 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 -11.266 8.226 -1.268 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 -15.594 4.888 25.074 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 -1.619 0.047 3.137 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 -8.102 5.905 3.341 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 -2.880 5.223 -3.552 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 -3.412 1.843 -8.459 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 -9.164 1.302 7.918 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 -5.181 10.270 -5.901 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 2.660 -8.374 -0.734 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 11.996 -2.607 -5.312 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 -1.172 -11.406 -11.917 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 -0.199 5.089 2.056 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 -2.902 12.305 6.165 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 2.699 2.772 4.226 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 -0.405 3.595 2.190 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 1.803 3.439 6.127 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 2.462 -1.421 14.817 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 -6.195 -6.264 0.690 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 -6.338 1.891 11.462 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 -4.887 -23.011 -8.424 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 -0.043 -0.197 0.515 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 0.324 6.895 -3.746 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 0.963 1.762 34.223 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 0.135 0.785 0.567 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 17.605 28.747 3.100 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 1.711 -0.642 7.870 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 -4.064 -3.658 -2.340 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 -12.020 -2.269 2.530 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 36.165 -7.709 -20.103 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 -4.722 7.405 5.703 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 -1.945 -3.533 -0.310 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 -3.649 3.790 3.600 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 -0.729 -0.035 -4.571 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 -6.794 4.986 -11.345 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 -11.839 9.377 1.301 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 6.404 -0.791 -1.550 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 10.092 7.015 -0.824 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 12.983 6.427 15.580 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 -4.477 -1.788 2.293 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 -9.085 4.254 -10.575 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 2.103 -5.587 -12.294 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 6.293 -1.671 1.449 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 7.918 -4.081 3.279 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 -10.787 9.014 -23.626 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 -1.368 -0.021 -1.875 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 -0.928 -2.437 4.374 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 -4.391 4.250 2.613 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 3.694 5.176 -0.144 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 -4.973 -5.675 -8.630 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 1.167 19.044 -5.739 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 -4.506 2.001 4.592 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 -3.530 2.896 1.638 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 -10.316 2.076 19.358 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 -5.022 -3.120 0.738 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 0.306 -21.935 -2.755 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 7.907 0.765 -18.209 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 2.539 -3.294 -2.518 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 -4.276 26.710 25.192 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 13.856 -1.805 -5.185 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 -5.860 1.609 1.287 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 -4.577 -0.296 7.653 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 -0.209 4.054 2.357 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 3.650 5.562 2.268 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 10.227 25.000 -8.106 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 0.464 22.908 9.998 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 -8.638 1.127 -0.966 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 -7.792 4.115 7.982 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 12.650 15.989 8.174 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 4.248 2.502 3.911 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 10.357 -4.861 -16.318 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 -2.518 15.153 8.671 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 -3.455 -5.908 4.983 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 3.959 -6.645 4.640 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 0.638 -6.546 3.941 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 -1.440 2.069 7.641 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 28.043 -6.121 -19.379 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 0.944 -25.713 37.373 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 -1.538 -1.218 6.894 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 -6.786 -9.142 -9.214 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 1.636 5.352 20.694 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 -3.588 -7.956 -5.467 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 8.123 -26.560 -17.867 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 8.668 7.619 -9.749 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 1.246 -2.163 4.833 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 3.876 -3.087 -5.772 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 3.169 -7.043 -6.136 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 -4.691 -5.646 -2.041 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 18.303 12.694 -25.639 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 27.531 -37.407 5.230 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 6.762 -4.406 2.646 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 4.565 -5.063 1.850 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 1.773 -6.659 2.769 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 -0.324 6.161 -2.691 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 -2.577 34.175 -0.683 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 -12.038 -7.510 -9.369 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 -1.635 1.883 0.357 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 9.344 20.320 11.648 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 4.071 0.834 17.566 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 3.012 2.936 -2.778 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 -10.495 7.035 -9.663 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 30.246 18.321 -15.028 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 1.854 -2.768 1.908 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 17.373 10.609 11.387 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 1.700 3.416 20.974 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 -0.159 -4.590 -4.467 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 -8.006 -9.938 -5.704 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 -6.764 -15.501 9.049 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 4.019 1.656 7.392 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 19.851 -0.951 16.791 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 5.179 -9.631 6.851 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 -4.721 -5.410 2.368 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 6.215 19.247 8.773 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 -32.032 -23.517 10.647 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 0.997 -1.513 -7.030 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 1.623 1.134 -11.452 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 -3.313 -7.439 14.446 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 1.017 -1.108 4.778 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 -37.536 7.067 7.937 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 17.941 -3.774 2.494 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 -0.005 -2.372 -1.537 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 -5.052 -5.245 1.781 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 -7.403 3.886 -9.403 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 2.395 6.013 3.603 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 21.314 8.802 6.159 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 1.126 -2.000 5.906 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 -1.083 -1.794 2.392 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 3.835 -29.874 -12.652 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 4.946 10.507 -9.748 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 -3.993 -5.119 5.112 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 28.869 -5.002 19.941 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 -13.418 -5.728 2.750 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 1.567 -1.995 -4.501 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 17.631 10.554 8.865 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 49.791 25.497 9.267 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 -1.763 -4.263 5.301 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 26.518 -5.732 -20.680 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 8.451 -0.064 0.660 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 4.377 -0.916 2.701 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 2.124 -2.666 -8.747 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 14.375 -7.159 5.170 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 4.098 0.763 2.959 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 5.636 4.493 13.286 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 12.999 -0.692 -12.002 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 4.890 -0.421 -1.334 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 3.262 -11.915 3.621 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 14.256 18.905 -16.148 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 1.414 -9.292 1.891 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 -1.318 -25.835 27.981 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 -0.799 -19.722 26.723 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 -0.345 -1.953 -6.606 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 -0.142 -2.228 -0.565 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 -11.037 12.732 -12.433 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 -2.649 -0.809 0.611 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 -13.939 5.972 0.965 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 -17.227 -24.794 11.830 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 -0.085 -5.856 -5.558 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 -3.273 -9.865 1.418 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 9.365 -8.615 1.002 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 -2.165 -0.287 -5.131 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 18.270 -10.324 -3.773 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 -5.928 -3.749 -12.830 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 4.903 4.773 -1.663 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 14.469 -4.120 5.645 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 10.273 9.322 3.527 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 -3.295 -7.040 8.565 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 -3.944 -7.233 -6.052 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 -14.911 -8.206 7.255 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 -3.696 1.305 -0.611 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 -25.333 -6.678 11.418 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 -29.590 1.372 -21.347 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 10.273 2.861 -1.544 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 32.429 -11.379 8.839 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 -21.843 0.367 12.309 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 -4.119 -5.021 -1.784 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 8.546 -22.559 -12.506 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 -18.777 9.840 8.467 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 1.250 -6.344 4.001 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 18.850 -17.887 -2.075 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 20.919 10.646 -13.890 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 -0.438 1.735 0.968 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 -4.867 9.461 10.739 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 -14.754 2.157 -2.793 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 -2.765 5.796 -5.621 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 -5.406 3.298 -8.728 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 -6.967 7.279 -2.942 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 -7.100 4.930 0.538 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 -5.756 7.575 -4.911 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 -3.559 4.354 -0.665 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 -5.679 5.561 -1.542 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 12.407 10.540 -12.120 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 -27.597 0.636 12.924 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 -0.821 -4.447 -3.478 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 9.117 -5.872 -8.483 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 -3.216 -9.140 0.676 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 -3.828 1.811 0.697 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 -14.066 10.746 23.098 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 -10.018 -8.115 2.064 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 3.991 -3.736 1.434 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 8.978 -10.085 -6.172 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 6.676 2.003 -0.466 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 1.773 2.751 3.700 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 -5.310 -23.691 -0.434 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 -3.921 9.349 9.306 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 -5.575 -1.824 -4.879 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 10.153 4.395 3.389 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 -1.440 0.068 16.872 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 0.892 -1.253 0.662 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 5.774 -6.047 20.493 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 -7.619 4.577 -5.921 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 1.330 3.235 4.470 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 -17.590 -1.342 -20.860 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 -4.675 -3.985 37.724 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 -1.187 5.379 0.025 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 -8.779 13.243 10.542 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 1.676 -0.692 6.748 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 -3.382 -0.436 -5.670 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 4.119 -10.054 -22.658 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 18.984 -13.605 -4.852 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 1.618 -6.580 8.159 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 1.640 -3.328 1.768 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 1.892 -14.708 2.769 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 -0.560 2.536 0.405 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 -10.678 14.118 0.788 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 12.223 7.547 -2.972 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 -5.032 -4.425 7.157 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 0.870 -5.423 0.791 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 -5.273 3.014 9.723 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 1.233 -2.266 -2.509 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 19.923 -12.723 -1.659 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 14.578 7.568 -14.833 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 -1.093 3.605 6.434 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 -0.261 4.883 2.262 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 4.673 3.360 9.303 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 1.875 -0.453 2.163 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 35.720 23.304 20.923 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 16.743 -8.002 -9.118 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 2.429 -2.376 -3.014 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 -7.918 4.302 -14.502 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 -8.183 -20.192 -5.448 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 3.002 -5.249 -4.235 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 2.570 -4.265 -20.104 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 -1.754 -13.818 -2.850 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 -5.196 -1.374 7.778 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 -12.779 -14.706 -11.561 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 -11.749 -15.047 22.892 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 2.045 1.744 -4.093 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 -13.793 17.021 16.514 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 10.330 -5.965 0.527 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 1.705 -7.698 -1.245 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 -2.458 8.089 6.274 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 2.126 6.304 -24.052 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 0.315 2.833 2.460 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 3.849 0.021 16.242 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 -0.378 4.272 -2.676 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 -6.524 -2.552 -7.237 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 -8.681 -8.875 -11.360 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 -16.248 -14.112 -14.653 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 -1.818 3.680 -5.259 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 -1.000 0.436 -3.028 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 -4.469 11.743 -7.718 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 1.550 4.860 -1.359 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 7.095 -11.113 -10.788 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 0.560 3.584 5.888 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 -0.096 -0.877 8.023 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 0.865 6.273 19.339 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 -9.370 7.717 12.006 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 1.188 9.206 0.953 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 1.857 20.221 1.475 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 0.240 -6.556 0.685 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 -2.826 0.642 0.220 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 -27.605 8.150 1.219 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 2.756 -9.847 -11.087 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 -2.343 1.099 -0.822 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 -16.407 5.189 4.305 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 -22.158 4.973 10.168 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 1.770 1.144 -1.476 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 -0.405 2.793 6.346 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 -30.158 -3.475 -11.088 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 -1.971 -5.197 -2.973 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 -7.027 -12.159 -10.751 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 -1.539 -8.541 -2.415 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 1.774 2.382 -4.410 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 2.588 -5.868 -4.945 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 22.426 1.486 -16.993 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 1.147 1.664 12.279 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 20.351 14.515 5.657 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 23.153 -25.517 -8.512 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 -0.720 3.635 0.291 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 1.651 4.116 -5.311 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 -18.779 5.863 3.420 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 0.800 -5.060 -0.796 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 -3.887 -14.109 6.742 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 2.857 -3.488 -0.442 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 5.193 1.132 -3.580 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 -1.239 -18.865 7.151 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 -2.258 24.057 6.505 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 6.486 0.407 -5.169 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 1.408 1.435 8.655 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 20.185 -0.279 -11.871 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 -4.258 5.007 -5.061 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 -0.157 -8.455 -13.115 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 -13.498 8.878 2.940 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 -3.563 -4.587 0.164 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 0.232 5.271 -0.454 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 -2.070 0.834 -5.634 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 1.285 3.985 0.971 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 -9.398 -2.277 -25.221 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 -8.093 0.155 10.095 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 -2.981 1.642 -3.431 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 -1.922 -10.829 -1.714 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 -11.745 -1.817 9.650 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 -4.497 -4.172 -1.202 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 -4.939 -2.078 -2.399 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 -6.979 -16.491 2.285 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 6.292 -1.283 1.301 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 6.762 -14.935 -13.771 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 7.739 18.859 11.902 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 2.733 -5.185 -5.838 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 -13.720 2.627 -9.851 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 -15.234 3.939 -10.221 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 -5.638 -1.538 2.514 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 -5.426 -11.247 8.993 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 -2.082 -1.935 2.008 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 -4.023 1.131 0.218 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 -3.665 12.571 -18.691 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 -9.518 -17.914 0.852 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 0.051 -4.114 -1.878 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 5.851 -1.656 1.643 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 11.927 24.733 4.900 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 -0.103 8.971 0.289 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 -6.783 -7.097 5.735 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 4.533 18.197 -8.118 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 0.579 -2.824 3.077 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 2.344 -4.000 2.705 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 2.062 1.452 4.497 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 4.822 0.336 1.551 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 22.780 24.184 2.479 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 -12.016 -44.531 3.851 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 2.276 1.700 2.439 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 14.306 -3.276 -7.345 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 -4.340 0.937 -3.381 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 3.636 -7.498 5.923 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 -7.448 -17.656 -2.685 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 7.582 10.275 -8.595 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 3.659 0.972 -4.978 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 5.725 -3.507 23.614 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 -4.812 -1.554 -25.824 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 3.671 -1.845 -4.553 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 -4.780 -38.809 4.242 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 9.814 4.461 1.398 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 -0.375 0.106 1.611 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 -15.902 -3.951 -1.039 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 15.559 3.049 -2.042 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 -2.708 -4.633 3.833 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 20.237 35.825 26.403 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 -10.139 17.510 -2.907 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 -3.135 -0.807 0.527 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 -3.213 -0.556 -0.066 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 -12.366 -7.239 2.557 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 -0.598 -0.954 0.985 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 6.713 -4.987 -1.884 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 24.586 -6.835 9.464 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 -0.308 0.079 3.858 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 -11.563 26.255 21.294 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 -8.540 5.015 5.841 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 -2.650 -3.203 2.972 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 -2.682 -20.025 1.623 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 -7.197 1.109 -2.515 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 2.514 -1.003 3.367 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 -6.846 14.209 12.325 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 -4.379 21.771 5.838 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 5.472 -3.909 3.791 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 -14.771 9.418 -4.106 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 4.032 6.290 15.770 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 -2.938 -2.111 -0.232 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 -8.925 -28.860 4.326 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 -21.541 9.090 -2.461 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 -4.701 0.125 0.661 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 -2.618 24.441 2.091 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 9.926 -21.250 -13.252 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 4.984 -4.074 -2.239 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 19.661 -11.122 -7.139 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 -5.707 8.046 7.842 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 -3.665 3.162 -1.314 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 -9.440 -21.291 -21.624 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 3.034 -11.633 24.389 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 -1.980 3.634 -3.030 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 6.560 3.998 10.758 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 6.294 0.459 -9.695 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 -2.694 -0.921 -4.454 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 -3.700 -3.024 -12.862 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 -5.089 -2.345 14.153 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 -2.941 4.385 2.917 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 1.876 5.984 9.077 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 -3.354 -12.328 -8.924 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 -0.994 -2.407 -0.480 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 7.407 -8.561 -8.439 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 9.340 -5.669 -3.099 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 2.815 -1.069 5.768 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 -1.056 -4.193 10.715 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 -3.532 0.352 -9.625 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 2.034 -1.788 -1.055 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 5.282 -1.683 24.298 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 -12.570 -4.425 -11.311 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 5.866 -8.712 -4.856 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 24.256 7.589 -3.494 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 13.802 4.159 11.931 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 0.407 2.607 0.770 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 8.572 11.184 -26.835 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 19.086 -9.935 14.405 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 6.368 2.408 0.513 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 0.771 3.117 -1.422 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 -13.389 4.892 -7.529 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 -0.905 4.369 -0.432 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 -8.826 2.111 6.551 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 0.520 16.134 0.621 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 -1.178 -1.221 5.816 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 20.183 -5.088 10.165 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 23.941 18.550 11.172 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 -0.251 -1.327 -3.783 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 10.023 -0.789 16.583 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 4.663 3.337 -5.143 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 -4.017 1.779 -1.696 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 12.966 11.138 -9.391 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 -25.568 6.728 19.358 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 -2.806 -2.959 0.970 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 -10.066 7.335 -11.998 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 3.487 7.650 5.339 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 2.072 -2.324 -8.351 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 3.222 -15.966 -11.963 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 7.054 13.417 -0.644 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 -3.680 -1.445 0.897 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 -6.116 9.513 8.062 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 -2.495 -19.488 4.279 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 5.297 -1.773 -0.577 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 11.326 -2.990 6.801 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 1.311 5.797 -17.592 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 -1.062 4.244 -0.180 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 -13.459 -0.517 3.962 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 -4.007 7.982 10.643 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 5.909 -3.529 1.722 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 9.345 -8.165 -2.170 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 14.054 -12.416 -6.208 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 -4.510 1.012 -3.051 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 -7.864 -3.796 -3.352 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 -2.495 0.029 -6.939 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 1.140 -4.641 0.828 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 -0.380 -3.044 -19.877 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 6.876 -4.548 44.796 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 -4.610 2.884 0.453 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 3.066 7.851 22.250 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 -9.061 -5.136 -9.320 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 1.238 -0.483 -1.537 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 -22.776 -15.602 -19.205 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 12.193 12.396 1.060 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 2.838 -1.374 -2.803 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 -4.046 12.105 1.594 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 11.851 -10.372 -21.716 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 1.978 -3.632 -2.188 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 -4.461 7.190 -1.587 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 -6.957 -11.708 4.348 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 -5.007 2.026 1.909 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 -1.516 -7.750 -15.792 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 -2.100 -4.191 -12.807 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 2.819 5.416 0.548 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 0.884 4.345 -5.333 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 1.012 -1.256 12.719 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 1.630 9.982 1.632 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 -18.717 8.462 -24.746 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 3.978 -11.823 -11.657 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 -5.924 0.574 1.444 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 12.553 21.567 1.420 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 14.480 6.103 5.126 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 -4.280 1.474 -9.036 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 6.189 -5.976 11.943 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 -19.642 4.130 -3.310 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 -3.023 -4.923 6.237 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 -17.387 -2.748 24.224 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 -15.786 9.769 10.537 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 -3.244 -1.116 -3.654 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 13.703 -5.390 -7.455 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 -3.211 -6.631 6.238 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 1.300 -2.613 -1.466 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 -7.214 9.403 -2.864 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 1.563 4.359 5.559 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 4.323 -2.181 -1.494 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 2.145 2.920 4.318 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 17.722 -10.439 15.493 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 -1.564 0.167 0.988 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 3.646 7.319 -22.743 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 -12.661 -25.021 -24.555 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 5.701 0.872 1.523 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 7.965 -7.777 -10.155 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 4.162 3.224 12.287 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 -3.003 0.996 -0.124 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 1.123 0.733 -1.718 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 7.284 0.206 -2.779 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 1.038 1.709 -3.176 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 -9.076 8.190 -12.225 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 4.347 -36.568 -17.267 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 -3.668 0.100 -8.628 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 -12.786 -5.823 -15.457 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 6.822 12.878 22.497 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 -1.437 0.658 0.978 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 -11.887 -6.128 11.963 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 26.381 -5.069 0.936 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 -8.058 -5.543 0.218 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 6.999 -16.449 9.276 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 -25.605 -1.609 37.446 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 6.604 0.521 2.982 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 17.048 -2.547 1.591 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 9.287 -4.756 1.188 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 -1.227 -7.198 -0.252 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 -19.571 -7.126 -1.204 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 -0.340 3.053 17.725 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 -2.853 1.409 -2.048 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 3.424 -7.581 5.103 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 11.616 2.038 -2.935 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 0.113 3.359 5.388 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 -41.077 2.047 -21.830 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 -13.997 -0.555 -9.604 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 4.528 -1.857 4.548 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 10.912 -7.924 14.458 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 7.338 0.775 0.769 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 1.424 1.221 4.010 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 -4.393 21.867 -14.510 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 -4.732 -0.288 -0.871 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 -2.334 1.822 1.471 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 -10.225 7.802 -10.353 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 7.528 7.594 -3.523 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 4.464 -4.095 -0.691 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 5.644 -2.669 0.509 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 8.221 0.477 2.134 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 3.256 0.196 -2.749 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 -13.092 13.376 -2.617 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 7.808 -17.205 -39.698 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 0.130 2.639 -1.633 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 -7.417 2.734 -21.754 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -6.621 1.208 -20.304 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 -1.702 0.880 -4.823 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 -2.143 -2.176 -7.935 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 -4.458 6.962 -7.013 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 -2.215 -2.225 3.800 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 -3.937 1.530 2.825 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 7.535 -13.223 -1.584 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 6.884 5.507 1.364 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 8.689 0.802 1.370 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 -1.209 -7.904 8.212 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 -1.806 3.263 3.792 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 21.178 35.630 2.477 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 8.017 -6.080 -24.050 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 1.654 -6.340 -2.813 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 9.405 10.984 -15.547 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 -3.531 -17.255 16.117 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 2.098 -2.847 2.420 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 10.855 -6.016 2.200 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 -2.282 -8.602 -6.237 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 0.470 -7.760 1.994 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 -5.697 -21.159 1.157 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 12.173 14.977 4.367 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 -3.803 1.739 1.319 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 22.422 8.531 3.921 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 -9.630 10.904 -24.826 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 -4.035 7.129 -1.184 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 -2.048 22.944 -2.648 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 21.478 -4.410 -2.527 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 -0.797 8.064 -0.857 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 4.464 -4.904 3.716 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 -3.049 11.785 -2.850 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 -1.201 4.856 -1.750 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 1.162 -3.992 -10.800 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 4.789 14.949 11.469 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 0.442 0.060 0.603 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 9.426 -7.949 -7.077 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 -7.502 8.086 23.823 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 1.583 -1.590 -3.798 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 14.392 -9.528 7.617 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 -10.729 5.545 -8.611 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 0.591 3.536 -6.177 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 9.471 7.245 -12.367 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 -0.834 4.068 -0.182 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 6.936 1.637 -1.630 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 11.470 -6.013 -0.649 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 -3.661 13.323 9.355 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 -1.059 -5.735 2.883 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 -18.935 -14.411 24.398 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 13.397 -26.818 -2.643 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 1.862 -2.547 3.338 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 -18.602 -17.654 -8.448 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 -6.947 -27.181 12.258 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 2.843 -4.870 3.632 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 14.944 -8.606 -1.213 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 12.676 -3.479 -14.770 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 2.902 -3.197 -1.717 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 22.889 16.644 -3.550 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 2.888 -7.231 3.434 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 -0.787 -0.771 0.050 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 -0.823 7.216 -32.700 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 3.419 1.149 -9.069 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 -2.435 -4.091 0.644 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 -1.112 -2.279 6.849 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 -14.904 -18.087 10.372 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 2.000 1.385 2.622 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 8.075 12.184 16.471 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 -2.343 0.705 1.889 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 3.112 -1.184 5.406 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 23.215 -2.387 24.801 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 -2.143 -1.837 3.192 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 -2.011 0.986 0.932 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 3.245 11.224 0.659 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 -9.275 4.114 8.487 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 1.586 1.017 -2.238 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 1.144 7.809 -6.023 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 -0.312 9.363 -8.445 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 -0.566 4.088 0.182 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 -9.368 -0.175 26.733 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 24.166 9.489 1.358 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 2.564 5.103 2.696 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 1.649 -6.616 5.868 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 -8.153 5.190 1.417 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 1.472 -0.138 -0.145 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 21.494 2.814 -22.409 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 -11.468 -2.032 -14.643 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 -2.007 -0.229 -9.939 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 -1.839 10.636 2.656 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 -19.327 -12.305 -11.151 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 3.053 -1.030 3.416 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 4.877 -10.555 7.679 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 3.446 -13.151 7.129 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 1.841 1.183 0.797 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 -8.579 -7.013 3.156 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 -0.678 -13.011 -2.181 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 2.784 3.843 -5.199 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 2.682 -0.176 -2.303 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 3.091 -19.536 11.933 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 1.547 -0.252 -5.401 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 6.758 -11.350 -2.819 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 -9.511 -3.084 -8.978 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 -0.883 -5.933 2.478 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 4.698 -2.946 -12.410 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 -4.907 -2.968 15.243 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 1.181 -5.960 -1.544 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 -11.933 2.216 4.860 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 1.114 -3.433 -0.230 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 11.250 -5.204 -0.269 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 23.672 -9.405 6.240 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 7.635 -3.338 -4.682 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 2.725 1.923 -4.481 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 -4.251 22.833 -8.456 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 9.909 -4.332 8.827 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 0.370 1.474 6.562 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 10.894 5.740 22.983 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 -3.202 -9.876 -12.784 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 2.759 5.428 2.471 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 -4.809 11.432 8.163 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 9.536 2.249 10.428 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 4.165 -3.529 0.658 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 -17.919 -29.018 2.722 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 -7.074 -3.088 -1.860 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 -0.736 -2.618 4.709 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 -22.853 5.557 18.980 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 -15.757 -2.795 -23.031 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 5.156 -6.580 -1.195 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 0.424 0.814 -10.678 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 17.358 -14.061 15.119 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 -2.772 0.018 -0.856 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 16.803 -5.907 -17.283 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 -5.840 25.082 -3.432 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 -0.526 -4.257 5.922 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 -11.913 -2.035 -3.304 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 -3.012 -3.687 7.601 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 -1.525 -3.118 3.746 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 -15.452 -29.045 18.885 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 -5.566 6.738 -13.649 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 0.867 1.436 2.369 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 7.351 18.260 -7.408 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 -0.858 17.034 5.835 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 0.701 0.790 -0.302 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 28.653 -19.710 13.354 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 13.231 4.787 -13.882 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 -10.872 -3.479 1.534 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 -21.514 7.426 -7.320 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 8.460 -9.377 8.802 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 1.311 1.408 0.233 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 -4.656 -1.782 -6.632 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 -19.098 10.426 1.408 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 4.787 0.249 6.784 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 2.957 2.681 -12.707 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 7.008 -1.311 11.539 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 3.986 -3.724 7.220 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 -14.540 8.156 42.937 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 7.767 -8.989 1.369 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 -0.998 -1.487 2.864 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 -2.823 3.916 9.215 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 -0.500 -6.666 -0.347 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 -3.268 -1.132 0.709 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 1.049 -6.813 0.859 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 -2.475 -0.952 -3.036 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 4.190 0.966 2.979 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 -17.146 -14.561 -17.036 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 11.492 3.485 9.010 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 2.653 -0.601 -0.931 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 -0.658 1.519 -2.435 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 -8.958 -5.904 -10.751 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 4.389 5.323 -4.780 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 5.765 6.821 -5.264 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 -17.623 -8.915 -10.302 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 -0.741 -1.001 1.083 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 -5.007 -9.669 10.261 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 -8.213 -6.008 8.653 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 -4.106 0.827 3.318 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 -25.133 6.996 -3.767 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 1.495 12.645 14.896 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 -1.196 1.865 5.129 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 2.515 -0.888 16.694 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 6.337 17.601 0.693 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 4.743 -0.567 -0.450 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 -7.971 14.377 -14.787 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 2.335 11.051 -7.729 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 -3.089 6.927 -3.070 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 -12.661 -15.934 3.355 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 -22.267 -2.507 -2.044 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 3.139 4.024 -2.783 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 16.820 14.662 4.800 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 -1.044 -5.865 12.633 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 0.807 -2.374 3.792 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 3.125 -7.312 4.600 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 5.783 31.734 11.144 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 5.687 -4.233 -5.637 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 -3.012 -8.437 5.670 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 8.343 1.371 -8.052 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 2.200 3.745 5.031 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 12.061 7.869 -17.178 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 18.061 -26.909 10.190 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 -0.353 2.778 -0.509 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 -3.683 4.088 -6.189 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 1.774 3.745 -0.499 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 -6.693 -3.746 -3.881 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 4.093 35.962 20.376 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 14.037 6.889 -10.561 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 2.874 0.130 4.235 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 10.981 -10.965 3.383 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 -1.553 -5.623 14.384 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 -0.395 2.039 1.778 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 5.854 10.197 18.892 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 8.253 12.533 10.999 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 -3.149 -0.717 -3.646 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 -15.138 9.472 -8.936 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 0.822 -5.243 -3.091 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 2.930 -0.092 -4.588 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 -5.405 2.810 -10.040 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 1.244 13.199 13.907 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 -4.768 -1.429 -4.190 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 -20.425 -8.041 24.096 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 8.703 15.207 -13.422 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 -1.640 1.151 -0.038 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 -7.436 -21.132 -6.282 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 -13.151 12.615 10.018 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 4.544 -0.894 5.069 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 -9.439 10.862 -13.113 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 8.506 -7.197 1.215 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 -0.172 -2.011 -1.031 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 11.307 -23.333 5.167 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 -3.114 6.492 21.055 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 0.176 -2.003 -4.709 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 -3.594 4.009 -5.413 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 17.729 -13.551 20.066 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 -0.091 -2.224 -1.098 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 -3.045 -1.605 0.222 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 -5.961 -6.385 -1.603 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 -1.797 6.187 -4.949 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 4.301 -1.546 3.893 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 -8.852 9.423 -1.777 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 1.391 -1.434 -2.237 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 7.132 2.498 -15.484 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 24.616 40.791 -2.077 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 -0.975 2.930 3.161 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 -25.716 17.600 -14.163 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 -9.916 12.598 3.246 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 3.439 2.719 3.593 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 -12.029 1.883 23.315 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 7.092 3.986 -10.017 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 -5.264 -6.633 2.435 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 -7.645 11.523 -2.618 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 -24.406 -8.392 14.533 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 9.740 -0.929 4.177 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 13.166 -15.376 -16.812 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 14.770 -0.915 17.416 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 2.571 1.816 -2.504 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 0.643 2.041 7.641 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 9.066 1.861 -16.675 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 3.240 -6.047 -0.945 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 0.704 -7.798 -5.107 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 -2.347 16.904 -7.007 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 2.178 -1.947 11.291 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 -16.458 18.358 11.405 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 0.681 -11.549 3.859 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 -3.253 4.586 -2.537 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 -21.213 -7.385 -18.810 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 -20.878 -0.117 10.237 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 1.857 7.083 -0.719 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 17.312 19.156 5.282 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 9.537 13.081 2.641 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 3.522 -4.661 0.224 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 3.543 -7.664 7.884 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 6.135 -12.679 -7.090 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 -5.143 0.236 -3.824 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 7.992 -2.328 -26.160 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 7.348 -5.945 9.199 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 -6.193 -8.972 -6.583 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 -5.724 -7.478 -5.158 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 17.129 -8.829 8.938 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 2.885 0.252 0.661 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 -9.289 17.390 6.779 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 -13.849 7.297 -6.845 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 0.817 -0.328 2.718 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 -25.942 4.945 16.795 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 -17.939 2.300 32.469 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 -0.526 -1.899 1.561 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 5.021 -13.264 20.400 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 -9.208 -1.068 23.066 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 3.673 1.843 0.477 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 -3.970 6.238 1.295 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 0.663 -5.813 0.666 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 -8.801 -5.178 1.309 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 12.657 -0.069 -4.715 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 5.039 10.009 -15.839 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 6.850 -3.390 -8.772 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 9.241 -5.107 -16.180 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 6.188 2.934 2.688 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 -3.406 -0.787 -4.827 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 -2.931 6.432 5.556 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 0.378 13.347 -4.414 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 1.068 -0.180 2.024 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 -5.457 -11.323 -4.687 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 -9.478 16.211 -1.909 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 4.257 0.535 4.732 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 26.184 5.857 12.442 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 5.033 13.319 -12.258 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 -6.737 -1.729 2.698 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 -8.928 -2.733 0.926 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 -9.032 -1.132 5.649 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 -1.906 1.295 -10.774 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 4.929 -2.035 -19.272 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 -25.751 -8.385 7.230 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 1.170 -2.425 -0.384 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 -14.798 18.097 -17.192 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 -8.180 13.439 -0.535 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 -2.976 1.522 0.370 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 -1.853 3.213 -0.614 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 -2.493 1.639 -4.543 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 4.540 -5.294 0.594 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 18.959 -26.054 -7.775 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 -3.851 9.096 -5.780 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 0.467 3.893 1.389 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 5.733 8.439 6.818 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 -8.163 -7.073 -9.809 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 -2.797 -2.487 -0.312 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 24.636 -2.039 0.976 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 -15.707 6.962 -13.768 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 -1.437 6.346 -5.393 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 8.885 -8.889 6.145 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 -5.595 4.461 -6.420 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 0.368 -0.219 4.964 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 12.347 -1.165 9.483 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 -3.088 14.075 -2.438 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 0.367 2.569 1.872 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 3.486 9.011 -20.291 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 5.734 2.432 7.133 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 3.868 0.343 -0.090 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 2.472 -12.496 19.287 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 7.235 10.504 -9.670 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 1.722 4.170 -0.191 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 -2.381 -18.882 1.201 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 35.803 3.150 -9.911 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 -0.195 4.186 -0.371 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 16.338 -0.951 5.591 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 -15.801 -11.608 0.420 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 0.868 4.252 0.587 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 1.387 7.452 6.122 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 -4.324 -3.569 -2.424 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 -3.081 1.584 -1.238 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 -7.863 4.860 -5.390 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 -0.820 -7.795 -5.291 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 -3.715 6.164 -0.555 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 4.231 8.840 2.465 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 -7.259 -9.202 6.482 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 3.292 0.186 -7.937 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 23.503 -1.602 -28.402 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 9.519 -5.173 -6.836 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 4.300 4.838 -2.906 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 -5.688 4.724 -0.016 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 3.479 2.967 -5.169 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 6.196 0.365 2.672 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 12.632 -1.657 19.258 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 9.585 5.861 -0.816 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 -4.318 -3.629 -6.762 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 -3.249 -3.020 -7.792 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 -9.352 6.188 -10.662 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 8.092 -4.555 -0.122 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 1.353 -0.113 7.421 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 16.065 -22.836 1.222 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 3.810 1.943 0.282 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 -7.940 4.604 9.578 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 -1.091 -6.779 -4.437 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 -2.029 -2.958 -7.918 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 -8.521 -3.361 6.953 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 -5.097 -7.211 -9.848 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 -0.857 -2.738 -9.255 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 -8.929 -3.877 -6.142 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 -11.388 -4.522 -0.920 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 7.139 5.070 0.237 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 -5.080 6.701 7.903 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 2.660 5.558 2.713 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 -3.070 -7.401 2.469 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 9.079 -7.831 7.422 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 -3.281 14.608 -4.388 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 -6.280 -0.731 1.884 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 0.333 -11.357 -0.313 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 -6.489 -4.067 -2.338 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 -2.447 0.061 8.183 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 -1.338 -0.004 8.226 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 10.789 -2.407 5.339 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 -1.626 5.917 2.147 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 13.945 -27.376 -12.462 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 14.971 18.252 5.455 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 -7.942 2.516 1.436 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 -21.897 1.762 -23.427 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 32.105 -15.893 3.250 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 -4.191 -1.870 3.035 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 6.695 -7.531 6.348 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 -6.231 6.634 -15.831 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 -2.404 -0.391 -3.732 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 -17.354 2.683 -11.483 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 7.951 2.151 -8.356 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 -3.439 -1.570 -3.842 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 0.174 2.177 -1.692 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 2.164 4.158 -1.123 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 -3.501 -0.666 1.191 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 -13.660 -4.432 6.499 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 -5.244 4.226 -2.067 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 0.743 -2.573 4.569 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 -6.941 4.576 -3.483 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 9.964 13.203 -2.978 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 -2.176 -3.462 -4.548 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 -5.834 -5.717 1.163 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 3.331 -2.470 -7.021 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 -2.304 2.909 2.890 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 -5.184 9.867 27.970 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 -22.306 4.786 -0.937 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 0.168 -2.596 1.372 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 17.528 -9.074 21.232 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 9.720 -4.589 2.776 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 1.297 -1.015 1.671 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 7.135 -2.233 -20.252 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 -8.283 -15.520 9.663 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 -1.745 -9.816 2.825 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 0.087 -12.846 4.739 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 9.837 -23.686 14.279 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 1.415 3.908 -4.037 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 -0.976 -7.118 5.204 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 -2.413 -12.024 -12.029 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 -1.055 1.244 5.453 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 -9.587 -12.081 9.075 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 -0.906 0.495 7.744 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 1.547 4.511 1.355 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 -6.148 8.382 10.054 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 0.184 20.336 -10.400 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 0.997 4.540 -5.670 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 2.031 1.226 6.717 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 0.591 -3.563 2.845 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 3.827 -3.005 2.891 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 4.103 -6.227 7.668 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 3.090 3.129 6.297 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 2.391 -4.970 0.187 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 1.663 -14.848 7.868 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 9.576 -8.810 -9.493 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 1.098 4.309 0.942 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 -0.596 -1.681 5.652 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 -10.140 31.639 -19.398 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 -0.145 5.799 -1.803 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 -0.765 13.694 3.385 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 -4.221 -1.562 -16.172 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 0.688 0.718 3.120 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 4.458 -8.346 3.923 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 2.381 4.538 2.174 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 -1.577 -3.196 7.251 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 3.207 6.670 -2.665 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 0.005 3.439 -11.197 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 2.049 -0.579 -11.314 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 -1.187 21.304 5.630 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 22.596 -9.731 -9.508 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 4.920 -1.582 3.738 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 -6.894 0.045 4.907 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 1.785 8.595 -4.214 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 4.715 8.406 0.608 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 10.639 -10.849 14.273 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 17.335 -2.899 -9.496 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 1.522 2.421 -0.083 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 2.892 4.145 -0.605 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 -13.230 -9.882 2.805 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 1.313 2.069 2.756 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 11.785 14.075 3.641 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 -9.523 0.120 -15.638 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 -1.017 -3.684 -1.568 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 2.793 -2.712 4.966 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 2.696 5.588 -4.719 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 -2.990 -4.148 1.299 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 -4.168 -4.584 -0.096 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 15.775 3.504 19.639 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 -2.514 -5.215 7.208 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 -15.279 -23.420 2.491 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 -12.812 13.081 -3.976 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 -1.565 -2.207 -5.320 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 2.735 17.915 5.508 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 11.515 -14.925 2.543 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 4.343 10.361 -0.293 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 -0.580 14.048 -6.796 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 2.631 16.639 6.089 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 -0.739 1.643 -1.794 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 7.733 -17.535 -3.356 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 -13.893 3.969 8.911 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 -5.679 -1.949 -3.091 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 2.170 -3.454 -9.822 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 -10.157 -2.302 1.433 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 -4.487 1.154 1.398 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 7.055 8.489 -1.162 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 -13.109 6.116 -2.349 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 -4.063 -0.607 3.707 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 -22.405 14.037 7.498 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 5.729 0.683 5.322 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 -11.657 -3.409 5.041 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 0.622 11.973 17.164 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 18.428 -0.797 -16.243 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 -6.430 3.131 -0.604 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 23.863 -29.285 -9.549 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 12.997 -36.668 -9.726 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 2.241 3.346 4.988 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 7.856 -19.446 3.869 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 20.949 7.125 2.455 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 0.599 -3.859 -4.720 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 7.425 -8.552 -14.308 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 -0.147 -21.392 4.867 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 -0.073 2.105 -0.785 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 7.917 -13.340 -28.345 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 4.464 5.610 15.068 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 -5.366 -9.157 7.009 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 -1.607 -15.849 -0.151 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 -12.623 -5.644 14.602 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 -2.975 2.092 -2.317 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 -6.174 -1.488 -7.744 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 11.315 12.500 15.165 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 -3.211 -9.813 4.865 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 -1.416 -2.631 23.559 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 -4.012 -9.468 3.678 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 -3.313 1.523 -0.696 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 0.784 0.790 13.173 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 17.985 -11.454 -8.757 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 4.543 2.299 -4.390 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 4.215 -5.248 16.039 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 35.156 -8.800 -0.764 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 -6.727 5.893 -1.991 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 -4.412 -6.959 -6.102 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 -3.087 -0.044 -1.951 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 -2.352 -2.191 -0.577 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 5.991 0.353 0.793 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 -1.919 -2.604 -0.733 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 -6.422 -2.890 2.082 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 3.139 -1.557 -19.264 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 -18.120 -20.805 0.989 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 3.118 2.008 -4.124 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 12.774 19.538 -3.370 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 9.477 24.108 -3.528 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 0.610 4.106 -2.451 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 -11.707 -12.649 4.688 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 -17.177 10.934 -18.586 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 3.026 -2.790 -0.106 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 13.781 -17.098 -7.877 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 -13.338 -2.746 -15.854 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 3.495 1.781 0.002 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 -7.686 15.287 15.052 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 -20.635 -6.601 -9.362 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 -0.803 1.047 2.782 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 -15.849 -18.220 -27.001 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 -19.958 46.252 6.009 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 1.647 11.785 -4.473 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 28.210 8.030 -0.786 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 3.707 3.693 2.509 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 0.513 2.401 4.715 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 6.893 1.058 11.421 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 -8.342 -1.140 -5.722 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 1.249 -6.237 3.489 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 19.961 0.394 11.902 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 3.931 -9.153 -10.418 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 -0.404 0.078 6.280 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 1.860 0.277 -3.238 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 -3.201 -1.206 18.844 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 -1.856 1.527 1.165 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 -0.283 -4.115 14.836 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 -9.817 3.885 -4.914 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 -0.347 3.619 -3.564 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 -25.174 -15.624 11.659 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 -1.108 1.952 -3.050 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 2.479 -2.627 1.142 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 1.543 -5.015 8.828 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 3.092 -2.920 -19.053 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 1.962 1.689 -0.724 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 -3.828 -2.341 4.592 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 4.060 -7.135 -6.805 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 8.211 4.886 -0.702 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 15.518 -6.369 -9.766 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 1.408 23.461 -23.188 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 -3.441 -6.250 2.385 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 -6.441 -7.790 -2.585 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 -4.821 -5.785 8.985 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 0.319 -6.716 0.317 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 -8.927 -13.919 -0.566 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 -2.318 -7.072 -2.702 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 1.184 -1.407 1.051 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 4.893 -7.973 -0.890 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 6.371 -15.404 -2.816 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 5.029 -1.259 2.145 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 -9.943 17.163 18.694 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 -4.964 1.005 -25.392 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 -3.085 -11.872 -5.186 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 -12.820 3.633 12.935 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 7.865 -8.263 -4.141 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 0.528 -0.793 -0.363 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 7.227 -0.763 9.638 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 13.957 -12.038 -4.589 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 4.533 3.942 0.524 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 2.306 13.422 -8.262 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 2.751 12.879 -15.157 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 -3.687 6.975 -5.685 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 -0.304 -14.336 -3.534 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 -9.709 -17.904 16.213 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 -2.257 -0.993 -4.710 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 14.347 -9.027 -3.160 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 -13.259 5.726 -10.133 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 -1.564 1.131 3.560 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 3.509 -18.231 6.313 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 19.977 -17.062 33.019 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 0.725 -0.833 -1.368 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 2.687 5.265 -4.280 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 13.838 -11.272 0.635 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 2.136 -2.419 -2.250 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 -3.820 5.832 -11.355 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 -7.567 -10.316 1.398 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 -0.033 -3.820 -5.899 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 8.095 15.573 -2.906 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 -16.074 -24.578 -28.723 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 -1.779 -0.010 -4.900 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 9.734 -3.343 -22.679 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 5.736 -13.861 9.293 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 -1.747 -2.782 3.560 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 1.806 -6.278 4.519 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 5.795 9.461 12.677 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 1.911 -0.036 5.215 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 1.989 -0.281 2.003 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 -2.047 -6.582 -31.278 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 -1.298 1.016 2.847 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 -14.425 -30.285 -4.182 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 -16.314 -25.630 4.948 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 -0.534 -3.149 5.063 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 -1.155 -1.029 6.035 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 1.953 -2.599 13.433 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 5.579 -1.656 -6.235 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 25.675 -10.921 12.899 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 21.778 1.806 -19.330 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 -1.583 -1.173 5.860 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 -2.660 -7.766 -4.400 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 -3.055 -2.039 17.790 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 -7.008 6.759 -5.678 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 10.414 1.423 -4.154 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 -12.966 -16.928 -11.190 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 1.071 -1.321 7.989 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 -22.263 -2.650 30.825 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 -17.555 0.941 -18.908 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 -4.610 -0.826 -3.379 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 -8.875 -5.450 3.223 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 -8.445 -5.715 0.021 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 -6.802 -5.512 -2.453 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 -1.937 -1.004 -0.827 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 -3.136 19.299 7.133 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 0.123 5.446 4.015 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 -8.253 -3.622 -20.636 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 1.571 6.134 16.617 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 -1.875 -2.472 -0.021 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 -3.610 -24.998 -7.326 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 -8.715 -3.539 -18.471 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 1.408 -1.403 -0.345 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 -3.225 5.517 5.938 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 -9.746 0.872 -2.063 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 -2.183 -1.015 6.590 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 -6.243 1.175 2.695 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 18.924 -10.724 20.502 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 -0.700 5.285 -3.569 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 23.842 -2.234 7.985 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 -5.106 30.797 11.302 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 -5.352 1.686 -0.302 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 -23.762 -6.411 0.295 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 14.946 -17.890 23.250 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 -2.140 -0.732 2.329 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 -11.007 1.846 8.289 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 6.223 18.430 7.500 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 -4.975 6.289 3.796 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 -4.384 14.689 -7.709 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 -7.092 4.627 4.613 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 2.034 -0.852 -1.936 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 14.508 -12.574 -26.058 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 -1.663 11.294 -4.572 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 2.213 0.657 6.049 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 15.196 16.020 -8.023 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 1.890 11.512 11.268 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 -1.707 1.225 0.578 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 1.065 10.993 2.499 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 -7.260 -5.423 -6.000 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 0.095 -3.254 2.716 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 1.558 -3.570 -5.935 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 -2.011 -1.652 -3.414 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 -2.022 5.655 6.950 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 9.669 25.116 -6.583 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 17.457 -13.276 11.028 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 -0.804 3.628 2.120 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 0.641 -8.569 -12.008 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 3.896 2.337 4.930 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 -4.673 2.097 -7.596 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 11.025 -16.405 -1.871 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 1.109 -21.832 -11.780 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 2.162 3.322 -7.407 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 20.262 -12.450 -10.985 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 -20.442 -2.216 -21.642 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 -3.098 5.782 6.856 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 1.046 -7.643 -4.553 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 -5.012 11.104 12.939 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 0.277 3.163 1.331 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 2.158 7.905 -5.397 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 -1.636 7.437 9.553 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 -6.221 -2.281 4.144 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 -6.941 -1.877 6.263 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 -0.512 -3.063 6.702 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 4.246 -1.686 -4.128 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 13.733 12.828 -2.094 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 8.182 -14.468 -9.089 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 8.071 -2.525 -1.947 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 8.224 2.406 -3.106 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 3.564 -15.852 6.364 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 -0.442 -3.114 -4.499 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 -6.335 6.280 4.509 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 1.567 -21.105 -23.656 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 1.390 -0.033 0.028 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 -7.513 -22.980 16.649 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 2.688 7.400 -4.547 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 -0.043 -4.591 6.275 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 -4.901 7.206 11.843 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 3.519 -1.657 10.847 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 3.680 -5.738 -0.348 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 12.284 -1.228 8.724 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 -17.089 -3.124 6.895 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 -3.454 5.454 -5.848 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 -1.761 16.629 -2.692 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 -6.289 5.038 -9.324 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 6.167 -1.442 -0.439 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 2.734 5.352 15.571 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 -16.828 0.186 -24.869 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 3.609 -2.385 3.892 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 -5.145 -9.836 3.685 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 10.288 3.568 2.436 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 1.455 1.033 1.554 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 -9.605 9.354 -8.061 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 -1.231 4.926 10.278 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 0.316 -2.115 1.852 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 7.614 -2.230 3.595 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 7.549 -6.461 -2.077 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 -3.956 0.271 -3.297 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 -8.546 35.041 -0.746 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 -0.395 5.016 -7.040 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 6.977 -0.162 -3.668 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 -20.432 -23.531 5.249 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 18.756 12.750 -2.798 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 -4.900 1.103 3.145 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 -4.680 -4.081 -3.846 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 1.220 5.169 -1.455 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 1.051 5.154 -2.825 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 6.320 3.479 -9.125 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 -2.591 7.667 2.211 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 2.241 -0.815 0.393 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 7.485 -3.218 9.297 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 5.850 -4.552 2.729 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 -2.181 -2.508 6.983 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 -23.576 8.530 -0.495 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 3.666 -15.260 -8.262 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 0.462 5.637 -3.889 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 -8.470 16.020 -2.651 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 -10.488 12.285 3.037 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 -0.005 4.142 -2.953 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 2.089 3.875 0.856 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 2.068 13.468 -9.762 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 -5.718 1.145 4.816 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 -9.601 31.162 -13.692 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 -5.847 -3.031 7.554 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 -3.626 4.789 -3.309 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 0.473 13.537 -4.097 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 -14.826 0.461 -2.467 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 3.464 -6.724 0.293 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 11.483 -10.296 4.850 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 -2.359 -3.206 6.124 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 -2.764 -1.510 -4.593 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 -6.579 -3.722 9.869 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 -3.483 -6.283 -4.770 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 -1.423 -3.873 3.114 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 2.370 10.714 5.174 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 -9.199 -4.094 8.602 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 0.981 0.621 -4.084 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 2.841 -2.270 -1.887 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 0.482 -19.145 7.396 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 2.057 -3.474 3.735 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -3.942 4.902 -1.320 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 22.778 -0.590 -26.764 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 0.832 1.902 -1.574 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 9.449 -2.138 7.311 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 -13.026 4.651 18.548 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 3.484 0.866 1.124 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 16.209 9.852 6.194 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 3.891 -10.759 -1.721 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 -5.858 1.686 -4.104 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 17.747 -12.464 -7.022 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 3.165 -3.473 -1.699 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 0.870 -4.691 -1.690 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 22.366 7.007 2.746 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 29.504 -14.954 -9.498 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 0.416 4.362 -2.987 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 8.314 16.934 -16.929 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 16.863 0.553 0.521 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 -1.187 5.105 -1.539 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 4.375 3.347 -9.290 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 -12.187 2.730 -6.477 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 -0.851 -3.587 3.108 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 -6.302 -5.246 -2.240 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 6.227 -19.495 4.045 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 -2.035 0.452 -1.980 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 5.102 3.079 -6.366 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 -23.552 0.310 5.340 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 0.036 3.292 0.470 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 -8.077 -19.764 5.815 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 -2.342 17.298 -15.388 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 4.076 -5.549 0.112 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 1.870 -3.758 1.683 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 4.097 -4.573 1.194 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 6.156 -7.124 -6.206 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 8.218 -10.945 -0.635 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 6.091 -6.495 -6.825 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 3.281 0.859 -3.841 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 3.651 10.006 -21.013 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 17.427 8.799 5.966 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 -0.369 1.886 -6.196 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 -3.187 0.909 3.404 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 -20.435 20.086 7.058 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 -1.474 -3.270 -1.925 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 -12.276 12.545 -6.421 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 1.300 -6.837 -1.389 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 -0.698 6.587 -3.097 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 -2.322 4.581 -0.273 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 1.331 19.565 13.835 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 -0.653 -5.995 -0.411 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 5.981 -18.970 -2.695 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 -11.681 2.150 -13.500 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 -0.222 4.936 -1.794 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 2.170 15.366 8.789 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 -9.094 -3.471 -9.369 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 6.097 1.117 3.978 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 -16.747 -5.448 1.661 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 11.584 7.677 -13.254 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 3.837 -4.317 -0.718 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 -7.683 -34.317 -1.896 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 -14.436 11.945 -17.285 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 2.166 -1.486 0.604 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 -3.029 14.662 0.681 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 2.404 -10.976 -5.922 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 -1.808 -0.662 -2.490 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 5.876 0.414 -18.481 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 2.782 8.173 -20.269 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 3.208 2.718 0.207 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 -3.707 -1.588 13.010 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 -3.348 0.353 -1.153 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 0.861 6.497 -0.451 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 -11.872 -5.398 5.181 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 -16.184 -14.072 -2.877 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 5.332 2.885 3.017 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 -5.486 -18.232 1.516 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 -3.710 2.219 -3.676 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 4.461 -1.034 -0.611 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 -21.675 -6.347 -10.356 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 23.302 2.087 -1.299 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 2.315 -10.368 -5.277 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 -11.182 -21.441 -5.644 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 -17.378 -14.893 -11.462 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 -3.153 -5.155 -2.562 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 -1.545 -5.866 -5.373 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 2.214 -6.966 2.434 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 -5.671 -1.909 -6.629 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 -9.071 6.285 -1.088 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 0.452 -8.840 -2.599 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 -0.449 2.663 4.888 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 -8.094 0.904 4.882 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 6.897 4.826 4.608 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 2.561 -1.415 -1.673 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 -7.013 3.823 -9.941 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 12.439 -16.306 3.517 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 3.975 1.237 6.889 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 7.310 -3.485 12.238 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 -5.233 1.751 -5.027 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 -8.869 -1.038 0.154 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 -12.389 4.496 -0.841 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 -19.236 -0.441 -8.079 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 -0.313 1.124 3.330 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 -1.813 -7.024 8.067 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 -7.784 10.129 2.043 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 3.920 5.690 -1.090 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 10.523 16.221 11.206 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 10.379 0.768 -3.488 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 -0.150 -2.948 1.583 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 7.263 -5.738 -15.264 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 13.876 -0.686 -20.703 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 3.188 4.546 -1.989 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 -15.215 13.738 -28.032 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 -0.312 -2.039 9.099 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 -3.576 3.523 4.098 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 17.607 -7.586 -19.359 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 -6.996 28.094 8.506 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 2.134 1.139 5.999 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 -1.422 -0.241 -7.057 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 6.923 -10.477 16.634 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 -3.337 4.767 -8.006 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 -11.586 1.549 3.799 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 -3.932 24.334 -4.915 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 3.751 5.392 1.564 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 -7.017 -7.033 -10.852 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 26.420 10.696 12.194 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 7.394 5.796 0.042 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 10.151 12.650 -25.122 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 -18.378 2.129 3.061 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 -1.551 0.130 -0.651 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 5.261 -12.893 1.719 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 8.332 6.442 -0.383 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 1.315 -0.578 -1.983 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 -7.955 10.887 -9.710 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 11.102 -7.107 2.838 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 -5.219 -0.318 -5.644 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 -7.180 10.268 -22.003 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 -1.602 -2.836 24.259 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 9.602 -4.193 4.762 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 5.193 8.527 7.875 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 17.069 -4.351 7.665 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 -0.593 0.272 -8.778 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 29.447 39.200 12.064 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 -4.943 -2.290 -21.718 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 3.085 2.883 2.760 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 -7.637 3.744 -15.062 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 0.652 18.002 19.188 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 -0.719 2.400 5.244 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 -9.905 -11.752 -15.794 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 -0.840 2.627 5.301 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 1.962 -3.207 -0.539 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 -10.276 -18.649 -8.406 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 1.493 -1.581 6.854 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 2.711 0.228 1.818 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 2.216 6.901 -3.798 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 -0.891 -27.938 9.520 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 1.233 -2.378 -1.219 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 -3.768 7.796 -0.606 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 0.413 -8.648 -17.834 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 -2.798 1.279 0.669 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 10.101 -3.923 7.559 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 -8.198 -5.978 -20.225 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 -5.280 -3.170 -3.444 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 -1.323 -2.787 -19.058 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 4.106 2.804 2.492 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 -0.193 4.726 -1.791 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 8.166 6.209 11.387 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 2.583 -1.344 -0.927 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 -0.842 3.910 -4.819 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 5.369 1.407 4.460 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 8.878 9.674 -5.837 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 2.799 1.628 -0.773 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 16.740 -6.223 3.295 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 -12.884 29.600 -4.502 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 6.482 1.856 3.894 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 -1.403 -4.183 -3.471 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 -5.426 10.120 12.076 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 -4.393 -3.735 -0.931 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 -8.695 -18.379 7.592 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 -1.267 54.422 -10.421 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 0.654 0.646 3.304 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 -9.359 12.688 -0.465 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 -2.858 -0.170 31.293 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 -2.779 -3.654 1.922 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 -20.101 10.930 -9.419 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 -3.026 -7.041 -1.719 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 -4.762 -0.027 -0.927 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 7.981 -2.800 -3.318 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 -1.376 -1.644 -1.101 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 -0.685 6.190 -1.810 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 0.070 4.803 1.663 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 -5.675 7.903 -3.992 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 5.256 -8.113 0.965 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 8.167 -6.622 5.992 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 8.059 -25.416 -2.577 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 2.562 3.729 -4.284 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 -3.466 -0.150 21.453 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 -7.591 -4.170 20.399 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 -2.425 -2.955 -0.663 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 17.168 4.390 -9.171 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 -9.630 -4.550 3.261 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 -1.859 4.693 -3.842 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 1.927 -11.704 -8.423 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 -3.168 16.373 -1.494 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 -0.791 -2.637 -0.410 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 -26.192 -10.253 10.069 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 -14.750 -23.121 12.652 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 1.051 -2.124 -1.880 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 -0.051 -20.235 -13.145 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 -9.684 5.800 0.800 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 3.096 -1.086 -7.034 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 19.943 5.140 15.138 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 14.774 -16.569 -2.624 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 -2.872 3.084 -4.007 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 -11.963 0.153 6.153 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 0.343 -0.531 -16.501 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 1.802 -0.179 -5.626 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 7.596 -2.834 -1.791 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 -27.788 10.460 15.766 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 -1.655 4.265 7.992 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -38.808 -17.563 5.981 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 5.034 -8.344 -7.930 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 -1.626 0.145 -5.524 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 11.409 1.262 -9.555 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 12.781 0.720 -12.121 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 7.703 -0.976 3.690 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 14.764 -9.473 18.804 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 -1.639 -11.867 0.673 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 -2.491 -1.746 7.476 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 -14.945 2.807 -21.478 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 -8.275 -4.650 24.587 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 5.995 3.375 -3.724 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 -4.789 -1.800 5.015 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 15.040 -5.838 -9.545 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 0.871 2.158 2.661 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 2.874 -0.979 28.127 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 7.581 13.269 8.476 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 7.091 -2.934 1.734 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 9.582 7.058 -3.662 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 8.914 -17.840 8.642 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 1.172 -3.787 5.664 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 1.068 -3.652 5.689 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 0.059 -11.367 -3.694 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 -1.918 0.884 -3.666 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 8.699 -13.883 -2.214 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 4.036 -8.729 -24.305 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 -3.501 -5.173 3.736 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 2.815 1.747 -3.564 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 -19.726 -11.921 -13.753 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 0.085 8.521 0.008 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 -13.686 15.652 -20.788 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 20.082 24.002 2.558 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 -0.015 -5.111 5.716 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 -10.521 17.572 -3.652 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 -18.152 21.550 -4.017 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 5.191 -13.596 1.066 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 -3.159 -12.023 11.506 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 13.412 -2.348 0.260 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 -4.148 7.658 9.499 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 -5.452 3.366 15.388 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 -2.828 -11.385 31.998 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 -2.238 1.338 2.347 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 -1.406 5.114 10.826 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 3.756 8.541 10.326 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 4.113 -6.424 -1.601 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 -1.971 -20.687 -1.353 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 24.417 13.336 7.665 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 2.136 -9.278 0.788 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 -3.331 -11.577 0.851 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 -1.978 -3.319 4.137 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 -0.427 4.373 -0.068 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 -0.704 24.988 -2.352 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 17.732 25.129 18.804 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 5.278 1.033 -0.670 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 9.405 3.915 -1.499 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 1.715 -1.549 -0.124 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 -1.036 -2.817 6.029 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 -9.054 -2.217 1.568 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 -20.572 -7.458 1.053 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 -0.904 1.663 -1.069 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 -5.108 -1.669 12.889 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 -0.442 -0.881 -11.398 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 -4.434 -6.308 -2.104 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 -9.088 -1.256 3.137 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 -4.660 -6.415 -1.629 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 5.013 0.344 -0.427 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 0.969 -0.136 -10.394 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 2.809 6.494 4.498 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 5.013 -1.147 -6.080 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 -11.405 20.097 -5.955 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 20.574 -1.012 13.730 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 -2.822 -0.770 -2.781 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 2.319 6.664 13.796 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 -18.120 -9.247 2.300 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 -2.204 0.418 -1.206 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 -2.633 -0.998 -2.816 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 -2.760 -14.200 -29.818 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 -1.531 6.043 -4.807 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 4.601 13.195 -2.347 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 0.403 -7.057 13.688 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 -2.782 -5.283 -10.495 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 -0.941 6.582 5.423 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 -3.602 6.363 -26.517 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 -2.704 -9.304 1.848 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 -10.309 -15.039 8.320 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 12.999 2.667 -12.158 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 5.474 2.307 2.670 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 13.309 -13.383 14.769 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 -4.129 8.448 -0.179 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 0.497 -5.896 1.168 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 -7.248 -1.775 -19.411 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 -5.003 5.857 21.810 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 5.870 1.861 4.545 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 24.664 -5.141 19.356 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 -10.527 12.350 19.640 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 -5.751 -1.933 0.354 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 21.917 21.436 21.937 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 -10.472 -5.022 -5.329 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 -2.179 -2.864 1.558 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 24.409 7.082 -5.083 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 17.335 -3.578 10.400 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 -1.971 -4.354 10.279 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 10.522 -16.102 -0.370 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 -4.485 -15.890 2.001 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 5.535 3.507 2.782 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 0.886 25.724 -6.828 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 5.306 0.627 5.571 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 0.215 0.723 -13.190 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 2.875 8.995 2.546 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 2.177 16.410 -6.467 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 5.025 2.577 2.301 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 6.199 21.964 -17.605 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 22.071 22.615 -3.817 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 3.601 -0.582 1.469 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 8.157 -2.127 15.211 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 -0.456 10.153 3.888 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 -2.007 -0.405 1.858 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 -5.123 1.461 8.674 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 5.739 -7.960 0.111 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 1.312 2.523 1.652 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 7.933 12.273 -13.974 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 -4.516 -22.680 28.022 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 -2.187 -3.385 -1.430 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 3.743 3.718 -6.915 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 -10.459 -3.326 -5.910 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 -3.267 -0.043 -0.743 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 18.229 1.372 -1.936 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 -11.053 3.445 4.225 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 0.354 -1.551 1.009 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 -4.860 0.009 -4.439 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 7.624 -6.165 1.698 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 2.570 2.888 -1.585 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 12.823 6.074 15.737 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 7.770 18.060 12.192 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 -4.332 0.706 5.037 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 1.885 3.023 8.233 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 -4.386 -1.341 -1.432 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 0.182 10.741 -7.878 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 14.573 3.315 2.549 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 -12.428 8.084 -8.215 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 1.942 3.464 -2.847 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 9.282 12.332 -11.542 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 -18.000 -12.146 12.525 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 -1.286 -3.134 -0.643 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 -0.609 1.576 19.663 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 -0.196 2.169 16.557 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 -2.788 4.029 -4.272 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -0.922 6.526 1.862 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 4.179 10.756 6.048 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 0.748 -6.114 0.162 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 11.947 3.045 -8.663 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 4.942 -3.684 -4.430 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 -4.789 1.010 4.072 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 7.853 -13.983 13.445 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 5.664 17.687 -15.127 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 2.026 -2.740 -0.363 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 12.091 -4.477 6.584 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 -8.099 -2.398 2.635 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 -5.416 -5.370 1.284 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 -20.275 4.384 -15.627 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 -4.860 12.319 23.812 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 1.791 4.719 0.013 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 -3.503 -11.809 -9.590 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 9.720 4.621 5.944 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 5.246 -0.400 0.307 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 4.199 -9.371 -3.264 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 8.212 8.822 5.229 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 0.697 -3.279 -1.697 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 -0.971 -15.271 -17.892 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 -26.768 5.626 25.945 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 3.220 -2.373 3.971 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 -28.832 7.236 -12.061 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 -1.036 2.303 1.948 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 4.202 4.449 1.775 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 0.599 15.679 -2.325 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 10.422 -8.973 12.589 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 -2.115 2.674 -0.272 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 -10.389 9.094 0.296 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 -5.440 1.441 2.526 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 5.191 -4.804 -0.979 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 1.369 9.415 5.616 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 -3.432 -12.087 2.605 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 0.274 2.241 1.658 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 -9.336 11.266 -8.900 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 -14.839 -20.779 2.380 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 -6.115 0.563 -2.164 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 -15.651 2.882 0.116 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 -18.910 -0.679 2.168 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 2.620 -1.106 2.408 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 8.102 -0.065 -15.826 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 4.712 -0.275 -0.243 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 -3.831 3.064 3.488 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 -5.336 2.389 1.653 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 6.709 -13.197 -5.532 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 4.234 -0.876 2.309 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 -1.500 13.421 1.352 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 5.204 13.320 -6.116 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 3.968 1.884 2.413 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 -17.765 -13.149 -5.788 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 -12.564 -5.041 -3.674 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 -1.943 -3.698 -4.235 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 -16.414 4.977 -9.465 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 21.628 2.477 18.661 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 -7.568 3.506 -2.100 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 -1.391 -2.412 20.686 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 5.986 -12.530 -12.116 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 -1.994 1.855 6.479 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 -13.570 -4.016 -4.951 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 14.713 24.991 22.181 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 -1.976 -4.261 0.118 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 -13.561 4.001 -15.504 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 -1.522 -15.352 15.316 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 -5.610 3.463 0.685 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 5.453 -0.151 2.181 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 -10.910 -6.087 -1.209 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 -5.257 3.975 -2.447 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 -3.956 2.415 3.518 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 0.537 -4.376 0.396 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 -1.485 -4.516 1.347 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 -7.606 -1.904 -7.301 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 9.826 -10.180 21.652 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 1.487 3.574 0.089 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 0.280 21.463 -14.750 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 -2.190 -5.974 0.679 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 -2.950 3.258 0.756 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 15.877 0.608 2.096 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 -4.476 24.051 12.280 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 1.715 2.083 0.794 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 -4.813 2.648 -16.166 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 -3.146 4.690 -10.182 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 0.124 -6.980 -1.326 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 -11.748 -8.155 -2.394 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 3.152 4.320 -5.464 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 4.808 0.159 4.987 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 27.240 28.665 1.215 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 -19.159 9.827 -16.876 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 1.253 3.816 8.941 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 -1.864 12.907 10.562 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 18.542 3.787 -4.465 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 8.055 4.563 -2.265 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 0.016 -3.584 17.774 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 -3.278 0.576 18.568 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 1.284 10.813 2.843 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 -9.249 15.775 4.683 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 8.987 18.053 14.205 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 -1.070 -0.965 0.951 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 5.144 -0.873 -1.861 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 -3.685 5.239 0.410 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 2.104 -0.741 -2.226 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 12.288 -5.644 -2.814 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 -0.068 2.665 -15.415 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 8.529 -0.353 1.731 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 5.873 -1.857 8.215 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 6.191 6.236 -3.136 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 0.865 2.798 3.842 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 -13.333 -0.809 5.407 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 3.572 4.015 14.433 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 -3.497 3.750 -2.105 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 -20.570 -8.623 2.587 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 10.680 -1.414 14.291 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 3.590 -1.880 3.642 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 -4.319 -14.411 -26.791 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 -0.447 12.894 7.012 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 -5.137 8.762 3.074 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 -10.068 8.243 -1.580 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -7.002 17.432 12.286 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 2.006 0.298 3.419 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 -20.354 12.733 -14.650 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 -10.503 6.742 -10.281 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 -0.852 -1.038 1.516 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 -0.815 -6.209 -12.402 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 -0.605 -3.034 -4.774 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 1.750 4.872 -2.036 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 16.095 1.106 14.567 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 -0.271 9.820 -4.009 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 -5.726 0.406 2.892 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 -12.424 -18.287 -30.847 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 10.643 -26.868 26.465 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 -3.472 -0.676 1.601 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 -7.861 -2.258 -16.919 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 -15.651 3.602 7.407 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 3.640 -3.521 2.494 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 5.106 11.261 -10.478 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 0.150 2.689 -4.135 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 0.769 0.603 6.152 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 11.893 5.864 6.628 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 0.726 2.357 0.891 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 -4.181 -6.695 -1.003 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 -17.365 17.350 22.244 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 5.442 -22.187 -16.526 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 8.523 -4.416 10.426 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 5.732 -14.014 5.644 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 9.625 -12.483 12.235 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 5.838 -6.140 4.626 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 5.799 5.005 3.450 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 4.040 -6.139 13.779 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 -0.350 -1.168 -2.150 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 -13.953 -7.650 -6.809 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 24.511 14.151 -1.464 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 -0.497 -7.045 -0.269 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 -1.335 -9.106 -3.305 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 12.989 9.864 12.537 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 -4.149 -2.664 0.816 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 2.548 -1.045 3.025 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 -5.082 6.608 -1.308 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 1.090 0.815 -6.295 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 -2.601 -11.561 -22.027 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 0.486 -3.118 -9.415 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 4.213 2.312 0.271 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 12.547 -20.471 -17.670 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 14.723 20.939 -10.063 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 0.622 4.973 -2.148 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 8.464 -15.478 10.173 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 3.512 31.269 23.838 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 1.286 6.765 3.506 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 -1.379 -2.552 25.720 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 26.866 4.152 -6.033 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 -3.118 6.786 -11.896 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 2.881 16.858 -17.749 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 -12.933 -8.518 -2.234 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 -0.530 4.389 -0.518 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 10.643 8.759 -50.634 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 -3.229 -0.722 8.618 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 0.395 -0.105 -5.714 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 1.679 0.953 -4.936 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 4.758 4.118 -10.506 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 -5.308 5.646 3.354 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 15.310 -4.117 -25.322 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 -3.012 4.966 -2.130 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 -1.091 -0.030 1.211 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 0.907 -6.779 4.138 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 -1.367 4.990 5.841 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 2.716 1.110 2.256 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 41.248 -20.664 22.779 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 -9.828 -15.539 -37.727 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 1.178 -3.793 3.301 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 17.651 -11.764 12.580 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 -7.433 -9.619 5.143 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 -2.651 -0.065 -4.647 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 -3.598 -16.562 22.719 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 0.560 -9.565 -10.755 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 -3.065 -2.574 4.311 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 -2.795 13.161 4.820 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 -5.346 -9.180 17.409 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 3.661 5.760 -7.111 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 18.559 2.584 17.804 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 -12.525 17.524 8.699 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 2.111 -8.419 0.973 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 10.422 1.106 -19.312 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 5.498 -13.828 -3.994 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 1.872 3.352 2.405 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 1.955 7.979 7.233 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 3.581 15.959 12.877 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 -0.162 -6.052 2.391 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 -25.670 -16.921 11.538 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 -24.210 1.978 -20.334 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 1.265 -0.453 -0.840 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 7.817 0.644 -14.202 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 -1.329 -9.525 8.513 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 -1.167 -2.657 -4.532 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 -16.901 -8.343 3.697 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 -3.776 7.885 -15.290 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 -2.243 2.678 1.086 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 -6.603 4.095 10.287 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 -6.766 12.251 -3.286 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 -0.199 2.874 0.197 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 18.647 19.693 22.794 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 2.595 2.171 4.409 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 2.655 2.537 -5.612 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 -4.282 16.478 2.704 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 -9.977 18.484 0.488 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 -5.051 -2.041 0.571 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 -13.099 -1.273 -5.181 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 -3.390 4.039 8.976 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 6.429 -0.866 -0.825 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 -5.235 -17.280 5.340 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 3.815 0.833 1.840 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 6.474 6.531 2.342 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 -2.152 12.559 7.868 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 -1.415 14.114 17.524 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 7.800 -6.215 2.805 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 3.358 1.601 -20.314 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 -11.965 -12.708 -17.214 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 -1.690 0.657 -1.424 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 10.925 -2.030 13.454 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 6.573 14.479 2.108 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 -1.740 0.771 -2.780 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 4.323 -3.273 -5.865 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 -5.076 -4.430 -11.437 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 1.395 -1.082 -6.834 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 20.058 -5.315 8.414 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 -4.816 18.586 3.553 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 5.190 -0.329 -0.524 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 16.007 -0.299 6.538 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 4.722 13.122 16.222 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 1.954 -2.443 3.737 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 -0.383 -3.132 7.341 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 12.913 -6.268 12.691 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 5.048 -2.168 7.812 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 -3.973 -5.829 6.481 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 10.758 -5.738 16.451 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 -3.900 5.168 6.902 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 0.246 9.630 20.845 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 -13.210 12.607 -15.484 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 -2.095 6.218 -3.421 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 23.313 6.838 1.377 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 -8.206 -6.780 6.993 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 -2.926 4.848 8.860 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 15.314 -1.583 5.335 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 -15.581 -8.332 1.201 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 -0.856 -0.909 1.850 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 -14.860 9.020 6.588 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 7.976 -5.897 6.871 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 0.055 -7.849 -3.209 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 7.227 1.602 0.994 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 6.873 -4.464 7.630 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 2.205 6.899 2.724 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 4.599 5.251 1.846 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 11.186 -2.698 3.151 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 -1.719 2.829 2.951 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 -9.559 2.383 -0.918 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 6.156 7.613 8.364 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 2.482 2.741 3.446 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 6.205 -4.680 -6.048 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 -11.310 -8.171 22.410 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 5.676 3.335 -8.916 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 7.030 1.290 -36.438 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 10.972 16.577 3.981 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 -7.089 -0.756 -2.620 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 0.328 4.133 -10.849 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 -2.878 1.809 -7.438 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 -1.778 3.113 3.936 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 -9.758 8.488 -3.793 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 0.872 -13.252 7.832 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 4.311 -3.265 -0.188 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 -18.359 -1.861 16.394 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 -11.482 16.188 -24.829 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 2.279 0.279 0.907 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 19.043 26.655 30.397 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 7.811 7.868 29.441 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 -2.487 -2.105 -1.338 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 -1.342 -17.054 14.988 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 -6.052 -13.705 1.140 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 -7.558 2.705 2.733 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 -8.700 7.298 -16.699 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 -5.899 26.245 8.509 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 -7.710 -3.556 5.365 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 -4.569 -2.669 5.083 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 0.776 -0.941 -8.180 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 -6.935 6.971 -3.301 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 -23.995 10.568 -1.927 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 -6.867 7.528 -3.946 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 -3.671 5.092 4.190 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 -3.748 -2.278 -0.947 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 7.268 5.628 4.112 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 -2.408 1.011 3.533 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 -7.596 18.264 -2.072 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 -2.619 -17.638 -6.597 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 -1.146 -0.770 0.424 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 14.283 -0.991 -23.201 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 -10.651 0.631 16.056 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 -1.934 1.061 2.906 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 -12.528 0.322 5.182 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 1.334 -8.316 -11.219 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 -3.420 -6.271 -4.708 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 13.010 -15.801 -0.491 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 5.688 8.702 -8.490 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 -4.642 7.014 -2.039 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 -2.904 4.564 -8.166 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 2.756 8.699 5.550 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 6.028 -1.724 -3.180 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 -1.016 -6.826 0.170 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 13.188 2.174 -5.147 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 -0.842 2.082 -1.768 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 -3.734 -7.112 0.223 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 8.230 -10.770 21.782 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 1.257 -0.477 -0.917 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 -0.134 6.283 10.127 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 12.979 9.286 -14.571 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 3.810 -2.029 -3.244 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 -0.643 -21.137 2.255 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 16.823 -17.034 10.471 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 1.907 1.640 4.290 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 12.642 2.035 -0.592 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 4.594 8.670 18.228 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 2.729 6.620 -1.765 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 15.697 20.524 6.911 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 1.262 17.667 12.381 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 1.236 3.279 0.735 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 -17.375 18.798 -27.030 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 7.842 -30.734 -10.306 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 1.615 3.690 1.148 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 -5.200 2.554 3.012 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 -0.348 5.449 6.933 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 0.270 2.568 -5.767 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 -11.982 8.844 2.098 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 2.770 -13.970 -4.023 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 1.611 4.014 0.785 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 1.969 -2.893 -23.351 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 31.325 13.573 -19.284 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 -4.932 -0.799 4.488 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 -5.497 -9.513 15.127 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 -14.979 0.850 3.318 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 -6.125 -1.101 0.622 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 -5.656 -1.601 1.848 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 3.365 -29.348 -13.745 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 -5.893 0.464 -0.741 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 12.130 -14.319 2.045 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 4.072 3.013 -9.822 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 1.235 4.893 -0.911 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 13.752 7.769 9.574 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 10.445 9.561 -2.857 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 -1.257 1.462 6.036 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 -12.942 -10.718 -4.463 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 -29.291 11.251 6.096 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 3.084 1.488 3.533 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 6.570 12.154 5.627 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 3.698 4.586 8.333 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 5.879 -9.421 -2.614 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 2.972 -23.441 14.479 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 -1.314 -5.131 -10.151 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 -3.000 -2.656 3.790 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 11.529 1.264 -3.370 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 -8.052 -5.508 -0.215 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 2.073 -0.517 -3.359 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 1.593 13.609 -1.252 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 -2.327 6.638 -2.654 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 2.273 3.945 1.259 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 -4.439 3.172 0.168 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 -12.836 20.799 4.364 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 4.040 0.066 1.485 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 -5.567 5.983 3.415 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 21.093 5.878 -16.617 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 1.479 -1.439 3.643 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 -4.075 9.979 -3.397 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 7.184 0.403 14.265 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 -0.230 -0.129 0.199 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 -10.328 2.889 17.537 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 -5.760 5.318 21.114 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 3.153 0.997 2.471 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 -14.685 -15.506 -24.034 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 -0.176 -5.951 17.803 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 8.248 2.732 -3.117 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 1.187 9.857 2.073 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 2.019 0.676 -4.498 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 -4.185 7.235 2.412 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 8.454 11.206 -1.260 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 -13.447 -0.683 7.437 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 -1.712 -2.585 -6.322 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 -2.204 19.305 8.900 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 -1.579 18.850 0.043 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 -0.745 -4.334 1.744 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 2.549 -10.338 -6.724 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 -0.992 -7.707 -0.029 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 -2.390 3.364 -1.300 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 -4.980 6.879 0.771 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 7.430 6.266 -0.308 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 -1.948 5.321 1.138 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 -6.999 -17.047 23.373 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 -8.073 13.366 -13.509 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 -1.504 1.159 1.607 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 -1.075 6.590 -0.133 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 3.458 -2.169 2.141 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 3.383 3.516 8.644 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 -11.631 16.680 -9.053 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 -17.240 -0.063 -20.347 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 4.097 -5.358 4.313 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 -1.491 -6.380 -10.813 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 1.461 3.829 1.772 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 -3.571 -1.365 0.557 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 -8.116 -5.967 -22.623 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 -0.533 12.116 -4.617 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 -1.223 3.668 3.160 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 -0.619 2.994 7.635 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 5.254 4.453 14.084 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 -2.207 1.653 -3.645 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 -9.763 28.869 21.474 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 16.266 -23.228 33.643 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 1.424 -3.081 4.746 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 1.326 2.674 4.770 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 5.272 -16.605 17.134 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 -0.837 5.956 6.859 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 17.435 27.700 3.804 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 7.059 -4.681 -8.242 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 1.688 -1.650 -4.574 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 -0.957 -0.141 13.466 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 -8.534 23.987 -12.583 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 -3.465 -0.521 4.097 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 -1.570 -16.552 8.838 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 -3.835 -3.059 7.232 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 -3.477 0.877 1.933 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 1.059 -4.700 -9.027 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 -26.528 8.249 13.810 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 -0.275 1.822 1.796 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 30.225 5.340 16.420 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 34.691 -6.418 -0.985 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 -9.156 0.941 8.277 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 -9.627 -7.052 -1.800 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 9.253 -16.270 7.953 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 1.989 9.074 4.976 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 7.537 10.981 11.113 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 -3.585 15.316 2.964 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 -4.571 -3.568 0.117 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 5.545 3.184 -7.736 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 9.299 6.374 -17.134 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 -1.903 2.332 -1.530 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 -4.530 -12.873 -1.135 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 -1.395 -0.273 -12.301 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 3.273 9.250 -7.582 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 -6.664 -3.312 -20.947 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 8.370 -14.497 6.250 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 1.131 1.099 2.551 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 3.309 -8.733 7.430 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 6.613 8.816 8.395 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 5.278 -3.484 -3.939 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 3.305 1.227 8.026 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 -4.790 -10.910 -7.727 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 0.641 -4.682 3.866 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 -4.876 20.950 9.007 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 -7.034 19.822 1.183 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 1.862 7.557 -2.920 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 6.475 14.305 -2.703 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 8.969 1.540 -3.025 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 2.119 -0.496 -2.680 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 2.685 1.587 -12.038 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 21.020 -21.291 -2.317 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 -2.681 -2.274 0.749 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 3.772 -0.693 14.815 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 -8.672 -5.596 -17.403 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 -1.817 -6.347 -2.087 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 12.460 3.441 10.378 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 0.619 0.087 -4.741 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 -2.916 0.741 4.371 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 -20.618 10.847 5.979 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 3.912 -0.349 -3.727 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 2.151 -5.474 -2.040 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 6.597 -6.261 -9.266 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 -0.704 -6.740 -3.927 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 3.996 1.314 -1.462 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 -15.880 8.485 8.828 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 -4.748 -5.413 22.896 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 0.098 -9.475 3.580 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 16.121 -14.364 -10.521 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 -15.456 3.695 18.618 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 2.767 -0.702 4.205 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 4.771 7.841 13.421 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 8.678 10.022 0.019 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 1.125 0.771 -1.090 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 8.040 2.019 -13.932 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 -17.150 -0.018 0.998 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 -8.636 -2.910 6.614 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 8.280 0.951 7.789 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 -41.440 15.233 3.215 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 -1.545 -3.515 1.808 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 19.834 13.604 11.463 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 5.775 -27.912 7.643 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 2.964 -2.624 -1.570 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 20.101 9.959 -9.660 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 -7.126 -20.296 -8.551 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 -0.760 0.709 1.823 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 4.349 19.577 8.128 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 6.799 13.224 -6.298 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 -7.619 -0.203 3.550 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 -6.975 18.315 -13.712 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 -7.077 -8.214 -1.764 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 -4.864 1.864 -1.572 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 3.312 -8.302 6.509 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 -26.476 4.390 -15.937 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 3.134 6.366 -4.068 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 -7.589 15.527 -2.615 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 6.177 4.636 5.656 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 3.176 6.959 -2.703 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 2.895 5.837 10.265 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 -21.227 9.538 10.792 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 -3.429 0.775 2.405 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 -9.813 15.994 0.922 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 12.914 -0.165 -12.189 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 2.615 3.195 6.607 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 10.007 -12.713 0.028 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 6.888 11.961 -1.844 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 -3.712 5.861 -6.756 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 -23.739 19.847 -10.991 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 0.654 19.676 -8.029 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 -2.917 -4.155 -7.229 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 -3.655 -8.888 -6.102 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 -2.333 -1.497 -6.503 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 -4.581 3.052 -1.371 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -3.843 10.250 9.088 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 -3.371 3.467 -2.687 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 0.952 -2.468 2.328 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 20.875 -10.650 -5.967 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 9.802 37.176 -6.860 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 3.727 -2.433 -9.442 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 2.465 0.736 -4.157 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 3.358 -5.599 -5.753 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 0.851 -9.404 -3.976 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 2.584 27.643 -14.609 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 -1.641 -7.607 12.069 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 4.239 2.916 2.860 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 20.360 13.312 18.236 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 17.655 5.648 -18.214 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 5.340 1.350 1.748 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 -1.364 16.775 2.483 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 5.145 -7.410 24.665 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 4.331 -0.746 1.751 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 2.685 2.345 -9.676 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 10.699 -1.854 8.640 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 2.864 0.392 -3.182 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 0.341 -1.060 -9.261 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 3.941 0.596 -3.526 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 -7.944 -2.353 -0.069 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 5.845 7.680 1.397 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 -6.271 -4.660 0.362 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 -3.613 0.089 1.350 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 13.211 -6.611 -3.860 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 17.576 -6.580 8.698 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 1.897 -2.539 1.612 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 17.050 10.449 0.574 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 0.694 -4.651 19.249 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 2.923 -1.735 6.362 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 -6.715 -17.557 -11.064 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 -9.951 -0.174 12.566 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 2.024 -1.375 2.045 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 -2.931 -0.199 4.519 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 1.005 8.869 8.265 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 -0.749 -3.561 1.103 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 -3.639 -2.382 -7.754 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 8.518 -3.003 -7.436 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 0.163 -3.452 -2.055 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 1.528 -0.314 -11.098 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 -14.018 -0.390 14.038 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 2.811 1.903 -3.220 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 14.800 -0.431 18.300 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 -0.188 -7.124 -7.376 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 5.466 -7.225 -1.307 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 -2.632 13.445 -17.174 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 -5.773 -4.669 5.014 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 -2.225 3.628 1.372 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 0.921 7.023 -15.884 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 15.063 8.176 7.468 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 -5.658 -3.321 -0.421 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 -8.125 -16.837 4.853 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 -19.095 2.821 -5.594 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 5.394 -6.296 -2.135 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 5.561 -3.094 -3.422 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 4.912 -11.125 2.457 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 3.468 -4.482 0.815 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 13.344 9.774 6.321 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 -13.557 3.816 -19.525 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 2.201 7.352 -2.441 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 -8.214 -20.293 -13.012 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 4.434 -9.597 12.380 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 3.960 -2.615 7.863 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 28.472 -27.902 -1.819 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 1.127 -16.044 6.033 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 -1.454 1.946 2.311 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 -7.161 -0.082 22.606 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 -7.520 6.434 20.525 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 -1.773 -1.914 0.718 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 -23.849 -0.989 18.550 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 -4.254 -16.219 -14.331 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 -2.034 -5.558 -6.590 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 -6.680 -8.774 3.507 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 -6.581 -2.981 -13.031 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 -2.600 -0.735 5.561 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 -8.703 20.331 -14.515 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 -3.905 15.365 -9.039 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 -0.936 1.258 5.298 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 15.139 -20.135 -18.757 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 9.689 -9.804 -11.106 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 -0.684 -1.543 -0.717 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 11.160 -4.563 -11.765 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 18.572 -0.284 1.526 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 -2.749 4.513 -7.081 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 -6.519 0.256 0.226 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 -0.072 -7.098 23.145 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 1.629 4.985 4.330 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 0.131 8.497 -6.143 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 12.032 1.140 6.368 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 -3.709 0.605 2.975 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 6.620 -5.018 -16.495 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 -9.304 6.503 14.414 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 -1.179 2.844 -2.367 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 -5.395 -1.860 -4.658 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 -17.731 4.806 -9.365 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 -0.916 2.264 -2.651 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 -10.669 15.751 18.138 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 -12.540 19.496 -7.040 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 -1.629 6.182 -4.502 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 -0.104 8.563 -2.439 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 12.354 17.941 -4.068 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 -1.499 -2.813 2.962 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 5.060 13.143 2.424 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 -4.932 3.435 0.192 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 0.109 -4.748 -5.084 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 9.013 -7.576 0.321 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 -14.050 0.254 -17.378 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 -0.796 -1.212 -3.354 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 3.089 6.284 -13.716 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 -3.824 -2.338 2.471 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 -1.907 0.213 1.747 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 0.172 -10.164 34.718 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 2.293 3.641 11.759 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 4.486 2.159 -9.561 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 -2.528 9.125 3.439 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 -4.683 10.574 6.706 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 2.375 -0.239 -1.608 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 19.603 4.907 -4.450 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 25.440 2.169 -17.658 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 13.644 1.950 1.799 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 12.204 0.007 -8.307 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 12.364 6.443 20.977 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 7.797 0.638 -4.140 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 -9.475 14.489 19.042 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 -4.143 0.076 -1.051 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 0.601 -3.608 0.110 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 -2.418 -2.448 1.908 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 -1.073 -24.202 -13.295 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 -2.500 -2.718 6.338 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 1.136 5.429 -14.442 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 -4.394 14.888 7.934 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 11.628 -2.881 -0.758 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 -12.489 -4.844 25.752 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 -9.018 -3.120 9.139 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 9.861 -4.905 -1.101 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 2.453 -8.284 -3.025 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 8.657 2.737 -0.912 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 4.262 0.289 -3.334 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 8.284 -8.867 2.001 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 4.737 -0.181 -2.705 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 0.064 -0.679 7.709 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 11.057 -4.165 6.755 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 22.559 -12.750 7.508 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 -3.482 6.029 -2.199 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 21.913 19.440 14.506 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 6.552 -22.800 5.330 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 -2.700 1.031 3.100 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 -11.003 24.315 5.534 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 1.674 -8.231 2.554 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 5.295 3.677 5.788 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 -1.910 -14.412 15.258 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 -12.130 14.648 5.184 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 -9.593 -3.414 8.576 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 8.019 -7.750 -13.600 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 -13.660 -1.191 10.946 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 0.772 -3.550 -5.148 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 7.831 20.650 -15.579 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 7.856 -6.524 -11.974 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 3.544 2.435 -0.686 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 -10.191 -7.534 -14.315 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 -2.957 -3.852 17.536 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 1.024 -3.651 3.594 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 1.881 11.407 -14.579 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 -17.876 -23.453 8.277 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 -1.776 8.307 -2.367 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 0.178 17.967 -9.191 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 -2.121 7.174 -1.879 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 1.846 -0.150 1.374 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 -1.623 -8.210 -7.118 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 8.877 10.777 -6.085 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 0.887 1.222 1.748 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 5.267 -10.244 0.316 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 -0.888 -7.210 4.310 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 -3.450 5.737 -4.317 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 -9.117 5.199 -4.886 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 -7.535 5.738 -4.269 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 -3.290 5.559 -0.931 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 -8.736 11.042 15.837 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 15.217 20.126 0.749 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 2.716 -2.746 -1.322 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 1.740 -3.788 -3.168 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 12.539 6.371 1.656 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 7.040 -1.635 -2.628 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 15.212 -7.737 -0.462 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 23.242 -13.729 -2.743 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 4.603 5.180 4.936 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 9.131 8.540 16.992 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 6.441 -2.586 14.836 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 -9.523 -4.226 -8.517 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 -9.195 1.441 -7.497 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 -9.155 -3.349 -9.209 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 2.445 4.972 -2.851 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 2.527 4.065 -1.660 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 1.123 3.660 -3.844 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 -2.522 -6.869 -4.535 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 4.112 14.445 14.893 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 -4.142 -10.540 8.455 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 0.125 -1.570 -1.297 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 3.982 -6.169 -1.924 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 5.285 1.586 12.026 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 -0.067 2.061 -7.776 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 2.487 -7.763 5.447 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 7.093 14.039 11.273 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 2.707 -0.791 6.209 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 0.511 25.755 4.842 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 -5.414 -2.532 12.767 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 -2.025 1.943 -6.158 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 0.544 0.651 -8.307 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 4.482 0.105 -9.214 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 -3.831 -1.533 -3.270 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 7.512 9.155 -14.976 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 4.382 -10.907 4.711 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 -1.072 2.486 6.696 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 5.579 -13.815 18.852 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 11.033 -0.591 -12.050 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 2.309 -3.289 0.764 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 16.337 -4.457 13.070 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 -15.628 -7.559 7.162 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 -3.465 -2.143 5.132 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 -20.198 -2.594 -17.548 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 5.247 15.152 13.939 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 3.485 1.900 8.730 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 -9.310 16.578 -2.591 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 1.830 12.630 -3.825 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 6.398 -7.649 2.904 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 -16.046 23.705 -2.152 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 -3.248 6.080 6.003 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 -2.750 -7.213 2.192 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 -21.318 12.431 -8.649 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 13.087 -5.323 29.569 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 -3.903 -2.922 -3.431 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 -2.987 -2.529 -4.782 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 -9.461 7.128 -3.824 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 1.222 -8.280 -0.417 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 17.003 -20.814 -23.493 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 15.558 -1.949 11.070 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 -0.412 6.771 2.744 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 1.261 27.366 12.114 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 5.845 29.291 8.873 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 -5.045 -1.572 4.056 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 1.203 30.714 9.228 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 1.333 -6.162 -11.461 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 7.920 -2.209 4.893 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 6.598 -2.528 6.250 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 8.587 -9.100 -0.575 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 -4.652 1.694 4.581 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 -24.118 -3.579 -5.568 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 14.381 -0.005 10.228 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 -1.624 1.862 -2.062 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 8.236 4.371 0.663 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 19.755 5.818 5.203 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 -4.873 -1.175 3.242 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 10.845 0.093 -2.441 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 -18.979 2.838 -5.802 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 -1.901 -2.222 -0.908 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 6.855 -6.072 10.182 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 2.123 -14.839 9.232 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 -3.774 2.293 3.093 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 -8.044 -8.664 28.482 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 0.380 16.066 8.568 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 -6.683 2.315 3.104 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 2.139 -8.926 -8.159 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 -16.247 -4.676 -5.200 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 2.394 -3.320 -3.094 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 16.121 -30.680 -12.512 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 -10.537 21.427 6.272 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 -4.371 -4.815 4.134 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 -12.135 17.747 8.293 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 4.570 12.039 0.501 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 -0.552 -3.371 -4.918 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 -4.911 -0.974 6.132 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 -11.856 -7.277 -9.103 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 0.563 -4.123 -4.911 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 -4.438 -12.601 -11.478 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 1.961 -0.328 -7.337 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 -3.651 -1.781 -5.323 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 -3.927 11.774 4.814 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 4.790 11.549 -4.278 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 8.661 -5.331 3.799 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 -10.608 3.364 39.047 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 10.859 -5.059 -15.586 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 4.350 4.016 2.119 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 -1.802 5.252 8.830 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 23.089 -1.857 5.417 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 -3.717 -0.787 0.394 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 -3.213 -18.526 -15.334 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 -4.177 -11.349 -9.108 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 -4.620 -0.230 -1.363 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 -5.372 2.604 -1.653 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 -3.414 18.803 -3.250 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 -9.471 -7.167 -1.176 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 10.991 -11.195 4.465 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 2.459 3.982 10.643 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 -1.274 -5.106 0.131 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 -10.904 11.180 3.947 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 -2.054 5.010 8.426 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 0.955 6.061 7.244 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 7.561 9.393 -7.826 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 -13.132 -2.069 8.210 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 -0.661 6.521 -5.038 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 18.008 -11.458 -4.001 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 -14.382 -1.207 -6.757 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 -7.117 -4.391 -10.999 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 9.073 1.709 -5.615 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 3.430 -9.518 -4.079 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 -0.941 5.343 -2.523 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 2.121 15.649 15.242 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 25.589 -5.968 4.079 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 3.249 2.149 2.066 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 5.096 24.011 30.739 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 -1.538 -0.970 -40.361 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 0.983 -2.709 -3.555 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 4.076 1.870 -7.322 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 -17.045 5.319 -15.620 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 5.713 5.944 -6.789 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 12.359 3.232 2.914 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 13.870 20.235 -4.180 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 0.364 2.372 2.910 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 -16.457 3.627 12.228 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 -6.017 2.297 4.815 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 -0.484 1.698 1.813 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 1.562 -0.368 10.293 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 7.957 13.932 20.290 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 -0.668 0.618 0.782 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 -7.502 17.177 -14.395 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 17.654 10.507 10.051 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 0.460 -7.119 -8.759 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 13.042 -0.071 -5.529 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 -8.050 14.115 0.191 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 -2.955 0.105 0.972 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 15.828 -8.744 7.194 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 0.224 9.210 9.374 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 -1.799 6.898 1.403 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 -3.691 5.486 13.370 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 -5.866 6.504 -8.327 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 1.225 -5.243 9.167 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 3.386 -9.706 11.449 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 -7.808 -5.593 10.037 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 -11.168 3.486 -3.978 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 -9.113 4.579 -10.820 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 0.078 -0.627 -18.700 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 -1.888 -0.765 -4.810 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 2.867 -9.356 -3.315 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 1.329 -1.047 -11.941 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 3.201 1.943 4.099 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 -9.751 8.412 4.422 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 -13.940 -11.184 -12.167 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 -4.733 3.961 -0.287 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 -17.134 11.677 -8.938 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 2.885 12.995 7.526 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 2.732 0.740 -3.429 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 -2.215 4.368 3.874 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 -6.721 6.295 17.163 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 2.829 -6.922 7.208 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 -4.364 16.389 11.008 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 7.107 -13.147 -3.342 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 -2.737 4.173 0.224 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 -14.116 -21.935 5.844 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 -7.218 -6.027 2.373 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 2.337 1.504 -1.677 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 2.718 2.997 -17.913 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 7.797 10.016 13.483 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 -3.830 -4.873 -1.814 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 9.354 -17.137 -42.059 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 4.416 5.985 -12.813 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 -3.608 -2.946 3.812 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 -0.200 10.582 14.436 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 -29.761 2.933 8.141 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 -2.865 5.271 6.282 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 -3.038 0.297 4.238 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 -2.442 4.786 4.818 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 -4.183 3.141 2.832 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 -37.761 0.073 -3.827 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 5.723 9.175 -12.644 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 7.571 -5.910 -3.082 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 1.789 -0.980 -8.788 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 -8.751 -8.960 8.395 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 2.467 2.239 -0.778 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 1.136 3.368 -2.727 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 -0.766 4.500 -4.883 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 -1.469 -0.007 3.174 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 -0.765 6.723 -9.572 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 -18.452 4.052 -5.724 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 -0.393 -3.046 -5.144 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 7.465 9.863 -37.277 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 -5.560 10.962 -13.181 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 2.395 1.635 -8.385 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 -15.862 29.236 -7.058 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 -15.213 11.809 2.426 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 0.070 -5.517 1.619 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 5.037 17.928 -10.225 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 -0.523 5.856 -0.099 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 1.377 5.847 3.488 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 0.440 5.102 7.326 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 4.709 5.253 -11.588 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 0.117 -3.608 -1.422 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 1.250 3.355 -0.570 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 -6.419 -6.859 -7.228 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 -1.815 8.837 -5.284 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 2.769 -6.793 -16.665 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 2.746 -1.015 19.125 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 3.370 0.471 -1.898 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 2.631 1.917 -4.336 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 4.698 -11.543 12.548 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 -1.735 -5.432 -0.583 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 -10.410 -5.835 -10.540 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 -8.574 -7.445 -3.422 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 -1.875 -0.597 -7.227 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 7.963 4.992 -6.542 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 -6.290 -8.804 0.471 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 2.438 1.204 6.596 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 -5.870 -0.827 -1.739 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 -5.335 -7.641 13.514 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 3.238 0.438 2.286 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 14.701 17.092 8.431 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 -12.759 -17.414 -4.184 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 -2.506 -3.959 -1.821 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 1.012 -31.139 -16.100 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 20.313 -11.497 2.929 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 3.295 -1.524 4.814 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 24.006 -13.571 12.585 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 10.361 -13.474 6.377 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 9.223 -2.957 0.094 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 1.945 -10.112 7.776 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 2.515 -0.366 -9.153 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 -0.865 -0.350 3.427 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 -29.439 11.583 2.572 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 10.605 21.924 -9.555 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 4.610 -2.759 -8.330 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 8.383 -0.777 -22.190 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 -4.662 -4.176 3.490 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 1.003 -2.958 -6.596 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 12.155 -7.037 14.477 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 4.486 13.420 -0.758 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 -2.769 -3.112 -0.298 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 -0.587 -5.225 1.503 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 -8.032 -4.323 -0.634 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 6.163 1.190 -1.217 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 -2.449 9.410 -14.421 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 -4.023 -16.736 -4.813 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 0.214 2.066 1.392 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 5.160 0.171 -0.840 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 10.828 13.446 -0.315 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 3.421 0.699 2.007 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 2.406 -3.936 19.089 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 27.299 -4.289 -8.451 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 5.570 0.299 0.153 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 12.341 -27.481 -13.571 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 4.093 6.333 4.158 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 2.835 1.879 3.903 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 8.860 -13.406 2.006 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 -1.734 -11.534 0.341 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 2.846 -4.385 0.851 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 -15.623 -20.255 30.282 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 -16.403 26.858 -5.934 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 -3.964 -10.073 -0.742 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 -3.266 -10.036 -1.702 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 4.302 -8.576 -25.191 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 -8.518 2.639 0.173 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 -10.153 0.766 -0.109 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 -17.465 -9.398 -11.979 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 1.225 0.060 0.401 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 5.088 -7.986 -10.872 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 11.931 -8.716 8.470 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 -7.883 -3.416 0.587 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 0.021 -10.940 5.702 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 -5.734 -6.733 -4.128 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 1.845 -4.955 -9.198 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 8.628 -5.454 -6.048 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 11.535 -7.496 -9.930 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 2.928 -4.484 2.831 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 5.090 -14.852 -1.472 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 -18.626 -0.095 -12.698 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 -1.605 2.625 -1.301 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 16.839 -5.415 10.819 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 -14.998 16.115 12.749 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 -3.498 -1.490 0.805 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 -1.640 4.251 4.796 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 18.048 -20.002 3.487 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 2.009 4.692 4.688 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 3.349 11.947 15.290 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 -1.256 18.461 1.329 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 -1.629 1.471 -4.239 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 -2.847 -5.883 -9.255 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 3.677 4.114 1.018 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 -8.560 1.939 -7.058 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 -16.903 -17.165 -15.929 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 3.909 22.039 -11.625 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 -4.537 0.279 1.298 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 -8.173 -5.480 2.203 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 1.653 -1.579 -2.230 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 3.843 -3.983 -0.770 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 2.906 -7.843 14.928 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 -27.052 -17.808 20.036 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 0.482 0.585 0.277 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 -19.890 1.394 4.145 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 16.266 18.548 13.445 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 -0.214 -2.389 -0.923 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 2.503 -0.134 11.024 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 -13.396 27.586 -9.471 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 5.678 6.071 -0.506 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 3.391 6.717 0.400 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 5.882 5.894 -3.447 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 9.416 0.837 0.693 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 1.515 16.673 -5.870 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 14.843 -1.714 4.304 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 -0.752 1.812 -1.463 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 -14.385 2.449 -12.459 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 9.387 8.263 -3.897 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 1.240 -1.013 -7.470 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 -2.217 16.863 -8.491 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 8.030 9.718 -3.266 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 -1.441 2.348 5.748 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 -1.357 15.135 14.136 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 -2.767 -6.030 -1.673 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 -2.652 -1.313 8.573 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 5.120 19.038 -30.448 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 -3.246 -3.608 12.002 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 -6.913 -3.362 -4.412 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 5.089 -1.706 -7.853 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 33.358 -2.667 17.392 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 6.983 -3.315 -1.326 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 9.174 -1.654 -1.180 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 -10.905 -7.124 -3.865 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 -3.730 -4.387 -1.998 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 1.934 9.527 -10.302 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 0.275 -11.646 -5.556 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 -4.270 0.178 0.841 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 -0.644 -0.886 -5.571 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 -9.946 2.367 11.110 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 3.871 0.016 -2.715 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 -9.411 -17.326 9.865 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 -10.540 -4.401 14.044 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 -1.507 -3.407 -1.702 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 12.392 -4.135 4.618 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 -8.881 2.886 -5.084 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 -5.640 1.811 6.683 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 -24.597 -40.586 10.982 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 -18.882 -10.093 4.061 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 2.983 -0.809 3.494 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 15.750 -1.239 4.478 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 -6.805 12.516 3.911 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 1.664 -2.201 -2.923 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 11.633 5.015 19.937 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 5.837 8.599 11.412 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 0.474 1.658 1.215 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 -7.185 34.966 -11.387 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 13.466 -15.013 19.503 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 0.795 -2.517 -1.847 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 -13.202 9.409 4.880 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 -12.773 -19.518 0.269 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 -6.992 0.672 -1.109 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 6.033 -10.643 -4.194 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 16.569 -20.821 -6.532 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 4.695 -1.408 -0.308 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 6.258 28.368 10.535 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 -9.950 -9.784 25.262 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 -4.691 1.313 0.743 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 0.477 -4.650 1.936 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 8.087 1.803 2.466 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 -2.931 7.590 -3.521 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 -9.349 3.572 0.641 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 8.068 0.296 -10.662 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 6.522 2.725 0.923 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 6.449 -1.248 8.295 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 5.493 6.170 -5.502 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 5.376 6.148 -0.728 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 -4.591 4.055 0.215 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 0.403 1.652 1.883 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 -5.133 2.376 -0.673 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 -6.291 7.138 -0.213 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 -12.882 -1.630 -0.850 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 -8.236 0.317 -3.239 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 -3.895 -6.207 1.057 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 -8.251 -9.337 -7.424 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 -0.056 4.010 1.221 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 -9.549 12.780 -3.121 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 8.357 2.553 -15.936 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 7.855 0.232 -2.300 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 0.264 -9.906 15.998 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 3.523 -0.562 -4.821 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 -0.990 -0.482 0.833 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 16.283 8.972 -9.676 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 -6.580 -13.731 6.364 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 1.136 0.859 -2.702 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 6.471 4.749 -14.312 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 12.782 20.057 1.271 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 4.138 -2.351 1.408 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 14.873 3.946 -18.972 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 4.459 -6.399 8.951 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 1.938 -5.745 2.855 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 11.527 11.917 17.938 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 4.517 -0.479 2.545 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 3.297 2.472 -0.634 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 1.877 -0.169 5.179 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 -0.903 4.589 -1.914 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 -1.010 0.714 -2.689 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 0.601 1.373 -5.279 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 2.952 11.850 9.852 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 -8.241 -2.608 -3.677 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 2.976 -0.106 20.044 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 -0.377 -17.925 13.661 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 -1.271 -2.667 3.234 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 -1.291 -4.802 3.757 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 3.645 -1.389 -0.537 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 3.630 1.565 -1.253 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 19.951 -6.149 0.757 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 2.829 -0.996 10.156 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 -2.914 6.662 2.955 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 -4.734 13.999 4.336 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 -1.938 12.891 -0.777 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 -4.942 0.487 1.508 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 0.090 5.752 -15.541 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 -4.889 1.898 16.257 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 -0.455 -0.706 1.937 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 -7.951 10.445 25.993 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 -1.466 9.285 -5.373 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 1.970 2.674 -0.928 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 -12.819 7.868 -16.205 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 0.083 1.267 -14.644 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 4.585 3.726 -5.878 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 -0.590 8.295 -15.883 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 -10.414 13.186 0.538 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 4.770 -0.606 2.425 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 -3.084 -0.797 -16.842 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 -11.340 -0.040 10.616 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 3.000 6.724 -3.288 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 7.557 13.667 -0.821 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 13.325 -9.719 -4.345 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 -0.557 3.138 -0.278 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 3.756 -4.753 -1.908 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 7.756 11.105 -13.383 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 4.938 -4.650 -2.719 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 -14.219 2.137 -6.865 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 -4.736 -23.257 -5.406 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 -4.223 3.330 -0.995 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 -2.862 15.905 -3.923 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 -15.675 -15.738 -12.903 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 5.026 6.642 2.242 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 10.180 16.601 1.957 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 13.544 -10.921 0.301 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 0.827 -0.705 -2.834 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 -12.349 20.647 -5.459 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 0.101 0.930 7.440 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 1.153 4.588 2.344 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 27.385 -11.816 35.394 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 0.739 6.109 9.182 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 3.496 1.489 -6.771 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 9.671 9.369 -13.631 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 -5.136 0.480 -2.056 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 6.359 -5.869 -4.683 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 -14.901 1.730 8.965 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 5.165 44.194 17.922 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 1.850 3.336 2.240 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 -10.181 6.177 3.621 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 6.231 7.103 14.471 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 -6.469 -6.796 -2.530 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 1.084 -4.932 -8.241 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 4.636 -5.719 -9.061 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 8.980 3.666 3.613 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 11.018 -9.330 7.566 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 5.350 26.466 2.879 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 1.089 1.611 1.659 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 1.032 -1.703 27.082 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 5.998 -21.963 -6.978 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 3.061 -0.747 -4.164 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 13.584 -12.151 -8.140 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 -2.526 8.444 -1.133 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 0.521 0.827 1.758 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 10.899 2.259 5.233 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 -5.588 2.506 10.684 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 -3.679 -1.366 1.837 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 -8.930 10.075 -11.316 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 4.905 8.511 12.919 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 -1.883 4.841 -0.604 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 11.519 19.508 11.050 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 -2.236 5.388 -15.296 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 -1.613 -1.060 3.205 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 12.394 -6.622 10.783 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 -2.332 -4.261 -13.661 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 4.609 -1.309 -2.209 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 -10.531 4.203 -5.738 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 -0.562 -0.010 -4.630 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 8.328 1.796 4.273 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 -25.798 -7.342 -8.623 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 19.020 8.867 8.197 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 -5.462 -0.323 0.405 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 11.518 7.961 12.835 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 6.612 -13.730 0.351 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 7.476 -4.400 -1.272 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 3.561 -0.884 2.406 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 20.432 -12.209 23.808 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 4.369 -7.190 4.727 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 -2.660 -4.523 3.179 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 -5.340 3.047 1.882 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 -1.541 -3.120 -2.389 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 2.321 2.761 17.174 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 -17.191 2.286 2.807 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 2.679 1.889 -1.893 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 6.159 11.912 -3.301 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 -7.613 -12.951 -0.009 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 -0.101 2.817 1.471 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 -4.975 6.235 -0.099 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 -29.633 21.411 -8.262 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 2.239 -4.698 3.905 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 -2.204 -15.842 -2.800 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 -0.954 -11.153 6.218 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 11.019 2.793 0.886 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 9.173 4.746 3.719 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 10.983 -15.412 -15.977 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 1.186 2.808 -7.164 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 -13.868 14.715 -3.910 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 25.126 -5.411 13.452 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 0.353 -2.168 -8.538 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 4.817 -7.479 -20.044 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 -15.374 -15.549 14.623 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 1.935 -2.827 -0.515 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 17.304 8.210 -9.823 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 5.857 2.640 -10.750 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 2.420 0.109 -2.283 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 -0.305 0.799 -4.781 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 19.304 -1.594 9.282 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 7.501 -5.845 -5.073 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 -15.032 -12.426 10.004 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 -7.312 -10.742 7.514 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 -0.281 3.599 1.362 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 16.932 -2.781 15.728 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 0.595 -11.409 -11.436 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 -3.286 -4.073 -0.003 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 3.175 -8.436 -6.792 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 -6.021 -12.544 3.661 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 0.147 -5.604 3.091 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 -3.530 -10.981 -7.114 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 -3.618 1.388 0.435 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 0.392 2.755 -9.012 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 -11.366 -3.421 -6.984 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 15.722 0.117 -5.995 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 -2.685 2.668 -4.967 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 -8.869 3.170 4.697 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 16.924 16.795 11.781 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 -0.009 0.436 -3.888 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 10.213 0.997 1.245 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 -6.320 -8.769 -9.326 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 -0.755 4.751 1.276 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 15.086 -5.248 37.431 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 -13.399 12.101 -26.323 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 7.422 -5.268 -2.003 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 16.662 -3.588 20.120 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 4.687 -10.672 -13.869 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 -0.040 7.456 0.433 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 9.559 14.209 -15.071 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 10.091 -1.520 26.086 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 1.059 1.891 3.503 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 9.545 -5.827 2.281 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 -20.348 19.735 2.445 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 -4.433 -7.664 0.964 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 -6.107 3.517 5.553 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 -3.317 -7.590 3.999 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 -9.231 -2.752 -9.837 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 -5.308 -11.913 -24.228 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 19.903 2.108 -28.105 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 -1.901 2.359 -3.173 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 4.868 -0.235 8.025 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 -4.305 16.934 21.396 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 0.911 -4.105 3.351 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 17.415 -1.512 32.573 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 -20.448 -0.562 -6.743 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 5.533 7.988 -3.785 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 4.601 10.097 3.403 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 2.950 5.996 -5.159 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 -2.995 -1.174 1.906 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 -2.860 0.559 -4.735 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 10.955 4.264 -6.905 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 -0.159 0.408 0.643 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 11.792 1.629 8.640 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 15.187 12.140 -3.906 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 -2.934 -1.385 2.599 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 10.305 6.204 17.511 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 2.788 6.310 -10.749 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 -8.926 3.094 1.421 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 -20.822 6.008 -9.775 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 -4.569 -5.736 2.712 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 -3.566 -2.326 2.292 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 7.094 11.573 -34.359 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 4.537 -1.156 -0.242 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 -0.722 3.730 -0.549 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 0.750 3.474 0.553 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 -3.673 0.588 -1.604 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 0.558 -1.630 2.313 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 9.203 7.167 2.329 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 7.974 17.209 -4.191 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 3.297 0.843 4.327 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 6.288 6.485 -2.133 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 -5.759 -6.750 7.127 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 2.957 -4.562 4.210 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 -3.943 -17.194 3.858 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 13.077 17.278 2.611 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 -5.383 0.020 -3.924 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 -7.158 -12.018 -9.494 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 0.043 3.375 1.926 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 -3.429 3.405 -6.753 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 4.033 -6.323 -16.724 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 -15.605 14.470 8.516 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 2.683 -2.344 -6.595 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 -4.102 11.193 -8.360 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 6.795 -2.670 -2.215 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 9.647 1.081 2.727 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 20.314 -7.391 3.543 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 17.222 2.714 6.694 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 5.877 6.693 -5.563 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 12.108 -0.545 -5.933 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 19.879 -12.433 6.654 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 -5.392 5.896 -1.424 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 -5.353 14.911 -4.427 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 -13.665 5.924 -4.358 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 -6.899 -1.849 0.644 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 -5.608 8.219 -29.235 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 3.183 -1.217 -15.193 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 0.408 2.140 -1.214 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 -7.827 2.013 3.465 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 -1.833 8.438 -3.047 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 2.043 -0.454 -1.362 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 7.553 -12.456 0.981 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 23.968 12.682 -14.050 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 -3.349 2.119 2.671 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 -1.084 12.619 -1.186 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 15.607 1.064 -5.136 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 1.927 2.196 1.419 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 8.269 -4.200 -2.201 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 3.567 -2.141 1.082 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 1.759 -10.531 0.288 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 -28.453 6.337 11.925 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 -3.987 -7.505 10.978 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 -4.323 -3.542 -4.816 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 -0.971 4.070 2.401 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 -0.034 -1.465 -13.224 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 -1.179 -0.527 2.590 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 -14.330 13.483 0.626 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 -12.105 -1.893 -8.336 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 -0.554 -2.196 -0.052 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 -12.892 -18.001 27.932 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 26.644 -0.882 1.981 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 -3.011 -0.546 -2.146 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 0.221 3.998 20.631 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 24.430 10.352 -15.612 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 3.388 -4.540 3.323 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 15.014 -4.401 6.622 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 -0.463 -11.046 15.326 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 -4.714 -6.975 -0.701 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 5.353 -1.683 4.936 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 20.304 8.439 8.348 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 3.192 1.480 5.882 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 37.290 24.328 -24.084 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 -16.302 -28.288 5.440 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 -1.704 1.982 -9.258 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 -11.527 13.264 -1.864 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 18.862 17.834 -12.964 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 -1.308 -3.311 4.923 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 8.412 11.088 -6.143 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 -9.756 -9.596 -0.829 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 2.204 -4.489 3.127 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 -1.882 -2.484 13.988 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 -6.766 -3.984 7.784 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 -3.587 -2.655 -2.641 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 -8.573 -3.171 -5.350 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 5.578 0.475 25.416 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 3.255 -3.041 -0.159 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 17.527 -4.291 14.925 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 -6.055 -2.752 -9.300 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 -0.738 1.624 -1.012 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 -28.492 -6.144 31.832 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 9.667 -6.895 5.573 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 0.861 4.012 0.679 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 12.614 0.746 20.447 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 -2.795 2.427 -5.547 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 2.902 7.128 -7.060 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 2.238 -7.347 8.048 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 3.786 17.741 4.412 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 -3.491 0.526 -2.942 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 -2.150 0.257 -0.126 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 2.237 -4.880 18.292 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 7.372 -2.906 4.362 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 -4.405 -7.004 5.943 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 -6.386 10.000 6.541 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 2.869 0.068 0.673 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 -23.416 12.515 15.509 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 10.331 -8.882 4.041 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 1.245 -0.120 5.230 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 5.738 3.372 0.402 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 21.351 5.004 -8.935 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 -4.009 1.364 0.918 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 -4.114 -0.466 1.713 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 -4.527 1.266 -1.042 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 0.332 -2.173 0.116 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 -1.466 0.748 -3.324 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 4.252 1.043 1.341 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 -2.815 -3.216 -6.114 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 1.966 -19.046 0.530 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 -2.197 18.100 11.737 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 4.998 -0.320 -1.485 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 15.508 -15.469 -2.887 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 -10.467 -4.920 -15.050 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 -1.384 -1.395 -1.105 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 -15.498 7.240 -1.924 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 -0.134 3.039 4.247 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 1.746 -3.454 -0.792 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 16.718 -19.497 -13.875 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 17.529 4.338 0.618 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 -1.733 -0.623 3.629 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 11.400 6.908 0.540 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 -7.968 -33.237 -15.885 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 -4.306 5.676 -0.535 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 -16.779 1.220 -0.960 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 9.627 -1.042 5.967 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 -4.985 3.510 2.844 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 20.469 4.078 2.387 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 -9.355 15.254 8.716 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 -8.688 -1.781 -1.782 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 -18.190 12.031 0.396 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 6.841 -1.725 -15.508 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 -1.875 -1.448 1.249 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 12.696 15.259 8.575 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 -12.070 16.683 -6.335 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 -5.072 -2.683 5.804 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 -28.431 -0.261 5.560 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 4.694 -19.194 6.774 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 8.892 -8.745 10.401 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 -3.217 -5.645 4.147 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 12.719 1.727 19.628 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 6.644 0.255 -4.410 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 3.568 -0.550 -1.865 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 -3.476 4.708 -11.634 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 1.435 -1.562 -0.438 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 12.237 3.992 -1.893 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 -6.097 1.297 8.669 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 -4.463 -0.789 1.130 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 18.272 -5.942 8.839 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 10.985 -0.240 14.958 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 3.880 0.098 0.564 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 -17.487 17.172 -6.879 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 11.906 -31.054 0.403 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 2.560 3.943 -0.857 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 2.641 23.688 27.263 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 8.996 10.919 0.603 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 -3.025 3.988 -0.886 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 2.570 -3.117 -4.464 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 -9.102 0.596 5.148 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 -1.324 -1.043 -7.391 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 12.597 -5.024 4.931 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 -8.026 -14.114 -30.528 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 3.368 0.566 -2.090 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 3.451 7.826 -7.876 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 4.675 17.030 -9.065 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 -1.081 5.162 6.405 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 -9.271 -0.872 7.792 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 1.177 7.175 6.833 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 3.283 1.902 -2.515 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 -11.466 4.335 -12.244 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 20.792 7.532 -10.579 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 4.239 -5.377 -3.855 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 -7.205 -9.802 -6.142 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 -2.039 14.881 14.604 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 1.512 4.836 2.080 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 -5.394 28.206 -16.630 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 -8.896 21.429 0.608 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 -3.114 4.483 0.078 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 -14.428 10.220 -2.032 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 -1.165 9.156 -4.336 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 -4.646 -3.889 -6.967 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 -7.932 -20.450 14.570 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 0.145 -11.573 -4.707 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 -4.653 3.321 0.298 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 6.093 15.797 -3.427 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 -1.406 -8.712 -8.716 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 -1.419 -4.368 3.432 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 -15.922 18.723 -1.191 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 4.322 -18.357 0.614 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 -5.327 5.807 -0.782 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 -10.911 8.701 -4.168 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 1.663 -11.103 -3.107 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 1.685 -2.458 -5.118 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 12.421 -11.354 -3.793 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 -2.261 5.078 -13.706 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 8.866 -3.317 -1.142 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 -3.824 -26.235 9.579 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 -4.028 5.348 -5.149 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 3.981 -4.994 2.156 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 -3.977 14.740 6.289 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 -0.468 -12.712 -7.958 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 -1.670 -7.019 0.533 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 -20.948 -11.636 1.658 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 -17.119 3.311 39.123 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 8.928 -0.450 4.331 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 11.638 -21.963 12.232 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 0.729 3.169 -11.225 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 -1.253 -2.609 2.899 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 -1.489 -7.090 -3.502 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 0.741 1.559 3.274 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 -0.545 -2.921 -0.235 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 -12.460 -0.517 18.173 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -11.278 18.711 -2.495 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 3.753 5.422 2.469 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 -19.828 -10.441 16.191 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 -2.353 -6.629 14.965 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 0.277 0.951 3.129 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 -11.362 -2.859 -7.583 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 -13.360 -32.482 11.361 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 1.247 -0.924 -0.254 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 -26.706 9.440 -21.018 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 18.919 -17.632 -11.578 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 -3.224 -2.310 2.441 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 -15.745 -3.870 10.449 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 -14.671 1.722 9.843 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 0.908 -0.484 5.378 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 -9.111 15.333 -3.146 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 -12.557 -18.721 10.539 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 3.743 -3.448 -8.776 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 16.690 -12.938 1.978 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 10.571 8.361 21.537 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 3.586 4.222 6.394 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 10.310 -8.557 11.241 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 -7.323 0.765 0.202 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 1.797 0.457 0.256 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 33.245 -11.772 -20.689 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 -9.512 5.311 -15.737 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 8.167 -3.982 0.558 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 19.003 -4.390 -17.353 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 4.775 -2.404 9.070 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 -0.602 -2.303 0.469 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 7.709 20.445 14.815 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 27.482 -20.521 -3.444 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 -5.058 -1.129 8.396 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 7.326 -5.100 2.212 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 -14.479 5.604 16.446 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 -0.153 4.205 -1.108 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 -0.465 -9.787 -2.839 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 1.195 4.394 -1.439 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 -2.581 0.397 -0.162 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 12.359 -10.683 -4.928 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 3.555 -4.463 5.105 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 0.712 6.491 2.788 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 4.709 17.335 -10.344 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 0.957 -2.852 7.659 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 2.176 5.453 4.425 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 -8.610 -2.861 22.503 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 21.228 -14.791 -1.965 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 -2.009 -0.821 -2.623 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 -8.217 5.592 -12.740 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 0.019 20.172 -12.608 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 2.382 2.181 1.847 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 -7.393 3.380 -29.027 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 -3.292 2.850 -15.793 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 -5.245 4.888 -0.857 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 -9.110 12.194 -1.372 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 -14.749 -2.736 3.121 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 2.887 1.787 1.158 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 -0.560 -21.836 -3.730 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 0.996 -1.773 12.433 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 2.368 0.657 4.194 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 -2.754 10.027 -4.939 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 -3.900 -19.685 7.055 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 -1.014 -0.213 1.178 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 8.157 5.052 11.118 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 -17.778 -4.871 -13.891 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 3.388 3.076 -5.100 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 -9.288 5.287 10.863 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 -18.637 6.479 19.142 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 6.878 3.816 -2.768 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 11.114 -28.716 16.848 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 -3.013 6.908 -22.803 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 3.081 5.030 -3.533 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 6.987 2.075 0.072 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 -4.307 8.238 -8.931 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 7.254 5.353 -9.518 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 37.841 -14.872 -14.332 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 13.460 -5.955 7.454 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 -3.332 6.096 -6.719 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 -21.299 5.866 -18.403 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 -10.376 5.861 -11.857 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 1.463 2.481 -3.049 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 8.844 -3.982 8.554 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 9.897 -7.062 22.607 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 -4.597 -2.625 -0.251 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 0.516 -0.301 4.487 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 -14.852 -2.354 2.476 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 -2.372 0.302 0.160 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 -2.642 -5.840 8.339 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 7.132 12.071 -4.059 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 -2.769 7.405 -3.746 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 -17.458 3.376 -1.486 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 -1.733 3.097 -26.886 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 -7.443 -3.245 4.427 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 22.789 -11.565 -15.248 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 -2.340 -4.324 0.424 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 -1.268 -1.950 0.828 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 27.409 8.980 2.586 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 5.368 11.038 1.926 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 3.587 3.321 -5.481 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 0.044 10.564 -10.477 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 10.201 -14.855 -12.679 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 -3.337 -4.264 -0.406 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 9.984 16.438 -0.996 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 -32.311 -6.380 -19.264 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 -2.464 -3.071 6.808 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 0.985 -18.042 -12.150 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 0.788 -21.014 15.907 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 -0.098 9.566 -3.517 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 1.258 11.959 -10.505 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 -3.816 7.317 -9.956 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 -5.237 6.842 -0.936 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 2.747 -45.877 11.809 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 -3.933 -17.384 -2.576 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 -1.752 -0.159 -1.972 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 8.961 -6.859 -2.201 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 2.473 11.035 0.186 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 -6.286 0.367 -4.140 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 -5.847 7.816 -7.826 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 -4.748 -8.025 -1.986 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 -1.742 -2.791 0.329 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 -14.324 14.981 -5.583 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 12.651 7.360 -20.976 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 2.573 3.469 0.502 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 0.460 8.817 4.327 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 -0.851 8.901 5.533 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 -3.781 -1.335 -3.408 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 7.319 -24.565 26.634 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 -1.540 -5.324 2.119 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 2.728 0.521 -8.432 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 7.752 -11.753 -9.799 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 19.101 21.795 -4.695 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 -1.514 4.611 4.583 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 -6.738 23.229 12.135 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 5.331 7.902 -14.685 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 -2.778 0.023 -0.518 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 -20.762 -7.861 -7.527 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 4.213 4.323 11.180 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 1.297 -3.991 -7.730 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 -0.644 8.485 18.887 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 -10.191 -6.486 6.000 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 -1.268 -1.060 -0.717 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 -4.294 -11.146 14.354 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 -1.749 -9.150 -2.077 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 5.871 -0.511 -5.739 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 8.982 9.984 -4.344 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 9.850 -18.303 -22.841 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 -3.576 -7.293 -0.880 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 17.948 9.922 -7.037 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 -22.207 -10.226 -5.925 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 -2.236 -4.418 0.509 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 -23.376 -1.340 7.642 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 -2.719 -6.165 0.570 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 -2.420 -1.245 -4.114 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 -0.455 -0.886 -12.140 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 -15.769 -17.579 8.969 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 -1.028 -2.200 0.379 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 -4.636 -9.054 -14.290 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 1.386 1.880 7.939 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 2.789 -5.560 1.122 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 3.495 -7.087 -21.415 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 -1.354 0.686 4.998 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 0.241 -0.376 -5.823 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 5.952 -3.006 -12.281 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 -21.519 -0.213 -3.325 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 6.829 -3.451 8.757 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 4.799 17.929 -3.130 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 5.185 8.255 -1.604 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 0.708 3.829 1.400 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 -24.949 -7.506 -10.868 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 -15.123 -4.426 -1.192 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 10.475 -2.143 4.488 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 -0.386 -15.009 -7.564 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 21.764 -4.057 1.917 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 -3.483 -2.114 2.616 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 4.063 -5.237 -4.710 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 6.485 -2.127 1.449 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 0.389 -4.597 4.155 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 -6.710 6.532 -0.850 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 -8.450 -5.923 -0.477 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 -0.878 4.368 -2.025 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 5.794 12.428 -5.347 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 -5.950 -4.252 -6.490 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 -7.013 3.328 5.766 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 -14.081 -8.153 4.663 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 17.422 -8.415 -12.461 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 -0.988 2.155 -0.362 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 -12.270 -7.120 -6.138 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 28.533 -1.268 -5.504 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 5.702 -1.157 6.997 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 7.802 -1.654 -11.681 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 -8.390 -6.854 -9.139 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 -0.737 -1.597 3.851 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 2.026 -20.104 -23.118 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 24.594 21.447 0.614 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 2.288 -3.035 -2.148 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 2.457 -3.836 -0.866 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 1.500 -14.504 -2.151 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 4.407 -3.131 3.754 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 7.051 -4.574 -2.942 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 -4.123 1.058 8.776 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 4.710 0.051 -7.273 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 1.391 -17.324 -15.161 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 -0.932 -23.451 -19.980 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 -11.264 3.157 1.406 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 -6.712 -0.109 -5.788 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 -12.726 -21.323 -5.445 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 4.587 4.904 0.725 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 -4.458 -19.271 -3.937 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 5.157 4.208 7.026 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 2.203 5.315 2.717 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 3.819 -2.579 -6.802 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 9.873 -4.932 14.063 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 5.637 -2.723 -5.369 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 8.508 -13.636 10.977 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 4.546 10.842 -7.678 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 1.413 -8.543 -4.564 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 15.733 -23.789 -0.522 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 -12.153 21.976 -6.422 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 -0.541 -5.505 -4.731 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 -11.620 -7.084 0.303 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 1.393 -2.219 -13.482 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 4.306 -6.362 0.327 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 14.898 1.118 0.774 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 -13.364 -15.663 -0.216 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 3.523 0.656 -5.986 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 -0.165 -1.255 -9.402 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 12.901 6.553 1.194 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 2.108 0.893 -0.349 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 8.345 7.253 -19.838 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 18.523 10.352 -16.048 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 -3.327 -2.141 0.935 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 -9.027 -37.459 -15.186 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 -4.274 6.302 -4.603 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 1.935 6.262 -1.201 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 -1.397 18.439 0.495 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 0.817 12.833 -9.707 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 2.319 -2.080 6.678 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 -6.708 -1.727 10.808 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 -10.384 -5.959 8.034 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 -0.100 -1.619 -0.391 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 11.536 9.854 -17.430 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 -7.554 0.556 3.110 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 4.681 -1.767 -0.252 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 -15.666 3.961 0.425 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 -29.389 14.877 -26.645 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 5.406 4.371 1.971 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 -2.570 15.132 12.881 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 11.079 -10.661 9.280 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 2.863 -0.324 -3.270 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 -3.619 -18.996 -3.418 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 5.311 1.691 -1.373 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 -2.555 0.537 -2.736 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 14.384 23.672 1.114 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 -27.272 24.107 8.738 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 -2.890 4.169 3.170 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 -9.376 3.996 -8.003 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 2.260 3.200 9.731 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 -4.186 2.452 0.045 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 6.305 5.502 -5.398 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 19.780 9.150 -3.391 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 -5.727 5.098 1.799 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 5.163 6.102 1.031 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 11.470 7.182 2.100 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 0.271 0.420 -1.976 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 -5.080 -28.160 -11.671 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 16.780 -6.880 -20.739 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 1.606 0.653 -1.448 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 4.089 2.075 -3.416 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 -15.460 -10.718 12.620 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 1.722 3.952 -3.199 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 -0.919 -8.424 9.756 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 -8.462 -10.664 -10.019 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 -6.902 -2.360 0.797 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 -0.747 -1.528 -4.359 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 -18.847 -0.558 2.927 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 -0.615 -5.616 -1.107 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 -10.612 -0.589 13.320 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 5.221 16.980 -13.790 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 -1.612 -5.321 -5.109 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 12.193 -3.770 8.954 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 1.060 -2.171 1.656 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 5.227 -1.407 2.713 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 14.000 2.472 8.348 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 26.843 7.730 -10.940 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 1.981 3.749 0.431 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 -6.058 4.918 -12.234 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 7.333 -17.626 -0.652 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 3.888 2.848 -2.658 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 5.200 -11.547 0.946 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 1.945 0.189 -11.609 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 -3.661 -3.970 -3.920 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 -18.808 -7.009 -3.879 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 0.924 -9.228 -4.244 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 -1.129 1.410 -2.922 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 0.594 6.127 -4.481 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 -2.817 1.675 1.174 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 -4.832 -6.844 4.842 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 -5.137 -13.741 11.996 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 1.462 -2.767 -2.000 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 8.329 -0.013 3.498 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 -12.815 8.029 11.544 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 -1.406 6.715 2.631 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 -4.994 -7.756 4.154 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 -7.522 3.542 6.068 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 -6.842 0.750 1.865 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 1.104 0.251 -0.973 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 -0.171 11.003 22.758 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 -8.199 -21.821 -0.527 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 0.309 -0.978 -3.645 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 7.453 -2.852 12.653 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 0.493 -1.591 8.840 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 0.109 9.451 3.078 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 8.267 7.124 5.721 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 -2.561 14.389 7.990 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 1.893 -3.852 -5.377 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 22.346 5.597 -17.014 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 -9.535 -21.817 -4.677 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 -0.070 -4.858 4.512 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 -3.099 19.764 12.172 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 -1.351 -5.422 -3.327 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 -1.733 -11.329 -0.973 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 -0.853 -10.441 -1.446 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 -6.746 0.218 6.895 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 4.878 -8.365 0.865 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 7.299 -8.166 3.194 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 6.506 7.398 -4.944 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 -5.133 -3.962 -5.681 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 4.927 6.299 20.546 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 -13.048 -2.849 -9.866 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 9.157 3.863 -2.846 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 -9.020 1.517 0.077 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 3.056 24.305 0.137 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 1.470 -3.713 2.973 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 19.654 -0.842 -0.241 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 -7.255 11.693 -1.548 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 -4.012 -2.011 -3.940 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 -10.920 3.604 21.134 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 -6.973 2.575 10.324 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 -1.034 2.894 4.786 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 -12.095 -27.937 -8.100 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 13.864 2.148 -5.357 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 3.009 -0.194 -2.152 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 -1.240 -23.679 -16.862 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 22.511 16.899 -20.070 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 2.594 -1.049 1.710 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 -10.934 -18.040 2.783 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 2.478 6.630 19.829 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 -1.098 0.885 2.301 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 19.149 30.956 10.282 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 2.682 1.953 5.470 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 4.558 -4.091 -1.242 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 15.287 14.832 24.882 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 32.593 -38.965 -5.533 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 0.457 -0.569 4.694 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 9.533 -2.322 -7.953 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 -19.347 -0.616 -6.066 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 -3.451 0.021 -4.738 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 10.102 -5.344 -15.500 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 -3.576 -8.855 5.080 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 -3.035 3.582 -0.498 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 -4.540 1.157 -6.641 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 -8.266 1.931 8.264 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 -5.055 1.642 -7.055 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 -8.688 4.707 8.949 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 -9.932 -7.094 11.652 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 -3.176 -2.731 3.724 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 -17.443 -5.710 -13.510 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 -12.371 6.106 1.525 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 -4.229 -8.169 4.573 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 -3.048 -16.258 -3.885 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 6.966 -4.895 0.301 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 1.172 -1.898 -0.867 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 -41.959 -13.473 43.177 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 -8.343 -11.532 21.655 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 -0.582 -0.914 -6.614 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 -23.319 3.257 17.524 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 -16.441 -27.414 1.424 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 4.241 2.805 6.160 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 9.557 3.413 18.884 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 6.557 0.007 26.135 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 -2.735 -5.209 -0.575 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 -7.488 0.765 -0.061 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 -8.581 -12.571 -1.339 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 -3.064 -2.625 1.800 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 -7.418 22.474 5.143 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 15.299 -7.319 17.715 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 -3.945 2.931 -6.478 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 -17.103 0.462 20.808 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 -8.891 -7.075 -1.583 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 -2.185 -0.661 -7.042 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 -2.750 20.970 6.380 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 -2.327 2.271 -8.804 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 0.435 1.370 0.871 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 -2.212 4.522 -3.784 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 1.770 -17.230 -21.405 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 -5.118 -3.935 -2.273 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 -14.197 -12.107 -12.441 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 3.102 -14.363 6.194 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 1.087 1.233 3.148 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 -17.598 21.752 -2.156 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 3.275 -0.029 1.410 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 4.246 -2.637 -2.083 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 -3.603 0.964 1.681 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 10.559 -9.534 1.307 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 4.656 -2.412 -0.031 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 13.163 7.072 -6.870 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 -6.773 -3.500 -9.289 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 1.475 4.268 3.575 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 6.677 -4.384 6.321 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 -8.353 -14.482 -4.713 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 9.335 0.111 2.394 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 9.436 7.779 -0.369 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 13.288 -1.201 8.650 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 2.352 -2.701 0.466 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 11.253 -9.457 -5.800 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 10.048 -5.922 -17.461 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 -4.539 0.829 0.823 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 -7.766 10.820 16.220 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 28.765 16.527 9.520 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 6.077 1.225 0.521 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 -2.089 12.370 31.871 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 -19.444 -24.843 -14.408 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 -1.932 -6.418 -9.173 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 10.606 -30.571 -4.570 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 -28.892 -5.351 8.238 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 -2.963 6.232 -3.621 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 -5.855 -1.450 15.959 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 18.868 15.572 12.015 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 3.710 3.274 4.422 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 3.130 -1.383 -4.105 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 12.336 3.090 8.632 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 0.351 1.805 -1.812 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 8.573 -6.433 1.030 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 -10.735 1.420 -11.640 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 1.301 -1.380 -1.758 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 1.381 -4.524 -1.730 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 -17.126 -5.909 -3.177 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 2.137 -5.264 -3.469 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 -10.182 -10.988 16.341 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 5.380 -6.637 -2.821 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 -5.666 -0.847 -4.358 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 -1.923 -6.611 1.436 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 10.752 -3.496 7.584 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 -0.353 0.280 -8.426 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 -15.674 -3.683 18.661 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 -16.992 -10.150 -6.303 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 -2.351 -3.983 0.327 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 20.873 -3.187 -0.693 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 -29.381 2.445 17.218 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 0.692 2.648 2.879 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 -7.247 11.174 -4.912 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 1.266 -5.367 0.437 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 -2.339 4.596 0.678 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 2.076 -2.513 -20.425 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 -33.167 12.590 7.559 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 -4.510 2.814 3.192 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 -5.126 -3.120 -5.660 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 7.812 12.100 -2.980 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 1.373 -5.929 3.018 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 3.051 -8.772 -3.892 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 6.996 -4.396 4.157 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 -5.148 -2.120 4.192 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 -9.574 10.619 -1.371 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 7.765 -3.389 0.399 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 -2.484 2.130 5.460 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 1.188 1.502 9.952 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 0.216 4.681 -5.630 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 0.379 -2.941 1.768 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 2.306 -1.922 -2.357 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 -6.136 -4.669 5.908 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 2.068 -0.928 4.730 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 -4.656 -4.314 5.231 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 0.595 0.129 5.882 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 -4.827 4.973 2.328 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 -16.996 4.715 1.544 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 10.860 -6.302 -9.980 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 -0.616 -2.211 1.643 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 21.331 7.397 -5.177 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 -4.130 -4.271 2.462 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 4.124 -1.103 -3.994 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 10.285 -12.090 -12.997 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 4.490 3.418 -6.286 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 0.135 6.521 1.389 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 -4.604 17.161 -1.346 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 -2.390 13.193 1.269 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 6.696 0.222 7.531 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 -8.652 -5.595 -4.822 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 10.974 -14.804 11.999 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 -5.852 2.992 2.120 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 -8.092 -25.445 0.086 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 13.936 -10.198 -4.613 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 -1.661 0.541 -4.009 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 0.027 -2.636 -10.020 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 -8.188 14.795 24.272 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 8.359 -4.557 -1.043 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 12.468 21.745 -9.447 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 24.123 -17.259 -12.202 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 -7.054 -0.269 -1.599 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 -7.869 9.794 -2.721 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 -6.530 13.307 7.664 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 6.390 3.928 0.260 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 6.644 13.466 5.315 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 3.922 6.303 -2.883 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 -0.129 3.429 2.658 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 -27.271 6.385 -10.455 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 33.178 1.135 -13.664 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 -2.529 3.980 6.328 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 -6.475 -19.235 -22.420 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 16.917 -9.606 36.682 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 2.660 4.686 1.016 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 4.359 15.059 -5.401 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 8.698 0.051 -15.481 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 1.821 -4.556 2.824 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 16.201 19.534 7.027 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 20.990 -16.595 16.101 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 1.204 6.573 -3.224 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 0.629 0.285 -21.215 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 3.682 -1.155 -8.434 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 -3.961 -1.373 0.886 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 -5.748 -15.824 -9.220 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 -9.897 -3.063 0.013 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 4.336 1.415 -5.955 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 -5.810 12.810 -16.255 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 14.357 -9.926 5.430 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 1.827 2.674 0.981 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 0.589 5.551 1.698 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 1.787 4.140 1.126 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 -0.495 -0.092 -4.488 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 30.480 -1.117 -20.354 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 -3.140 -1.299 -2.871 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 -0.571 -10.566 1.618 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 -8.659 -16.928 -3.932 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 -26.074 17.648 27.322 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 0.666 -3.084 3.115 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 6.337 -6.420 14.660 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 -21.191 4.006 -7.801 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 -0.953 -5.315 4.860 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 -4.407 -8.112 11.723 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 -4.005 -5.718 5.648 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 -4.968 -0.118 -1.309 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 2.340 -5.273 -2.244 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 -6.648 19.072 1.925 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 0.721 -2.260 -2.344 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 -0.769 -2.350 -8.937 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 2.820 -3.590 3.532 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 3.851 1.003 1.125 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 11.506 -0.320 2.128 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 5.706 -3.807 4.289 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 -4.079 -4.502 -1.779 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 -3.076 -1.313 -6.378 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 -0.686 -8.735 -1.703 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 -1.573 -5.646 -4.657 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 10.302 3.232 10.262 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 -0.732 -0.049 -13.006 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 5.431 -2.165 -9.285 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 8.503 14.557 2.047 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 5.948 3.608 -29.735 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 10.194 -2.382 -1.658 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 -2.642 -6.787 -8.034 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 18.368 -0.169 14.512 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 -3.004 5.547 4.105 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 1.673 -7.068 -8.173 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 -3.758 14.640 11.757 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 2.179 0.211 -2.800 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 6.002 2.063 -1.304 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 -14.646 -5.742 -3.718 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 5.387 -2.227 -4.019 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 4.853 7.417 -1.329 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 21.167 -11.192 -13.676 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 -2.177 -5.762 5.831 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 7.620 4.433 23.712 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 -9.451 -3.411 10.717 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 1.853 0.106 -2.800 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 -2.486 -18.444 8.281 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 -20.661 -20.043 1.781 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 1.755 -5.997 3.146 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 -11.959 1.061 17.810 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 8.266 1.131 9.134 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 1.715 3.131 -3.570 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 7.201 -4.300 -4.070 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 2.971 1.799 -7.083 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 1.171 -1.284 2.508 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 -18.606 -10.016 -19.975 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 23.026 25.502 22.097 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 -4.039 -0.123 0.310 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 2.652 -37.165 22.623 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 3.928 -4.091 11.127 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 5.677 -2.147 2.142 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 -3.624 -6.644 -1.349 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 5.775 5.300 -7.814 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 1.412 1.549 1.100 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 3.655 0.010 -5.833 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 -7.993 1.465 0.588 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 -3.719 0.971 0.001 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 3.016 -9.668 13.013 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 -12.278 -23.630 -1.484 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 -3.131 3.017 0.342 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 5.037 3.192 4.594 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 -9.013 2.605 -3.461 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 -9.887 -0.325 0.897 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 -13.122 3.178 -1.680 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 -2.815 8.251 -13.988 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 3.843 8.473 -4.312 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 -2.496 -2.152 0.977 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 -0.056 3.825 -2.697 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 -6.553 -0.843 1.775 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 -2.400 -1.575 0.805 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 -3.317 0.994 -6.106 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 -3.789 1.632 -5.828 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 5.205 8.217 -18.702 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 -4.795 1.092 -4.359 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 -2.774 4.910 -5.852 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 -30.313 11.517 -18.416 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 4.812 1.942 13.566 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 -6.199 -3.369 0.353 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 1.723 -4.640 0.050 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 -1.558 -20.057 -0.799 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 3.692 -1.050 2.423 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 -11.217 6.486 8.336 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 -1.458 -6.964 -14.650 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 2.142 1.032 0.817 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 22.801 11.854 -21.054 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 -4.589 -5.502 1.473 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 -4.006 -1.815 -2.715 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 -2.125 -15.128 -6.784 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 -3.117 -4.297 9.667 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 2.368 8.348 -2.562 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 -2.835 10.049 1.979 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 28.708 -16.767 -2.997 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 1.721 2.399 -0.278 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 1.690 6.695 9.889 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 -2.258 0.351 -8.349 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 -4.377 -0.187 -2.300 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 -25.147 13.630 -5.482 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 7.199 4.288 -8.603 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 1.032 -4.402 -2.960 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 14.534 -4.438 -12.479 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 5.422 -17.733 -2.238 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 -4.544 3.476 4.530 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 -24.072 6.045 12.081 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 9.264 2.520 -2.013 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 3.417 5.626 3.033 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 15.319 -2.634 4.115 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 -11.457 10.607 -30.683 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 -1.159 4.864 4.282 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 22.689 -0.637 4.115 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 -10.128 -1.162 24.027 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 4.224 1.976 0.921 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 19.447 4.802 9.067 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 -5.945 1.559 10.690 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 2.096 -0.653 1.397 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 -0.548 -24.699 2.881 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 -14.233 9.297 -2.258 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 -2.108 4.919 4.378 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 -12.420 13.973 -7.750 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 9.906 7.983 16.298 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 1.287 4.694 3.804 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 -12.802 -2.696 -5.934 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 0.856 16.825 9.023 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 -1.028 0.736 -2.841 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 -18.958 25.905 -43.738 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 -30.878 12.086 -22.401 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 -8.317 -1.805 -5.950 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 10.225 9.528 -10.183 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 -14.030 -8.755 8.778 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 2.682 0.568 0.709 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 8.860 -1.966 -1.069 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 0.832 1.405 1.474 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 7.061 1.754 5.945 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 -3.764 6.773 -2.856 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 14.696 1.015 11.282 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 2.460 0.684 -1.463 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 -1.967 5.721 -13.560 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 -4.097 0.457 1.697 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 1.013 -5.107 -2.643 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 13.933 11.885 -5.823 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 -22.559 -6.833 17.937 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 0.548 -7.763 -3.451 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 8.456 1.632 -17.140 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 4.332 -6.747 0.667 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 -5.305 -1.269 -1.884 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 2.892 2.435 24.933 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 -7.060 -17.089 -1.232 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 4.021 -1.571 3.462 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 2.182 -7.948 9.110 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 -3.147 -6.699 6.121 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 -3.043 -6.885 1.168 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 -5.197 -11.713 -6.301 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 -4.201 -10.986 -1.133 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 2.681 -4.033 -2.253 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 5.158 3.709 -7.177 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 -7.485 -4.074 8.997 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 7.487 -6.590 -1.820 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 -3.779 -14.262 -8.529 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 0.419 -12.411 -10.875 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 -2.031 1.446 -0.898 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 -2.400 3.933 0.369 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 -3.206 5.030 -4.481 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 4.432 1.317 0.336 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 2.685 -13.446 12.435 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 -9.957 -5.616 3.023 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 -3.391 -4.484 2.027 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 8.358 7.334 25.335 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 -8.989 -6.105 -3.562 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 -3.886 2.011 4.406 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 6.418 -0.303 -3.085 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 3.415 -13.017 20.574 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 -1.561 2.732 1.960 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 26.855 11.539 1.245 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 -16.207 4.025 -18.824 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 4.507 1.039 -5.473 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 -7.298 -3.398 -2.928 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 7.914 -3.665 -12.861 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 3.297 -0.099 -4.257 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 2.579 -0.976 -7.340 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 0.521 -0.468 -11.122 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 -2.860 5.599 1.213 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 2.663 -15.811 19.698 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 -35.630 14.364 -5.330 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 4.538 -2.944 -1.499 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 -5.363 -21.345 -10.103 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 18.398 12.482 4.077 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 1.292 4.374 -2.153 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 3.485 0.192 13.835 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 -9.851 -8.952 1.091 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 -4.657 2.539 1.719 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 -9.233 7.262 -15.747 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 -5.088 -1.744 10.009 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 2.792 -3.923 4.689 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 24.682 4.229 1.713 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 -10.800 -6.308 15.668 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 -1.710 2.101 -2.407 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 -17.611 -6.266 -4.445 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 -18.587 -14.728 -7.933 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 -2.922 2.028 2.389 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 -10.885 -2.810 -5.231 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 12.658 8.621 6.291 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 -4.051 4.487 1.659 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 -0.282 1.512 -0.762 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 -11.316 17.359 -5.971 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 -1.892 -3.322 -0.242 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 -14.016 0.435 5.268 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 3.533 -11.232 1.732 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 0.065 -6.449 -4.561 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 10.790 -5.665 6.842 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 -8.440 -3.986 6.716 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 0.477 8.716 4.158 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 -3.535 5.169 -4.272 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 7.057 4.347 -3.368 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 -1.329 3.546 3.676 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 -6.621 6.731 8.124 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 -35.090 38.201 9.735 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 -1.919 -0.932 2.751 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 -10.847 0.045 -3.024 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 -9.657 -14.766 19.207 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 4.950 7.025 0.945 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 3.559 -12.177 15.100 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 15.832 11.708 18.811 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 -4.704 -2.800 0.279 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 19.939 -1.879 17.643 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 -9.072 10.232 12.568 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 -1.333 1.266 2.984 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 -5.977 22.149 1.853 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 -14.382 -5.716 -8.983 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 -0.611 -2.952 -1.642 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 7.892 -9.954 15.869 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 -16.204 -32.214 28.575 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 -0.359 -0.445 2.444 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 8.667 -1.626 7.315 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 -3.663 -0.622 -7.819 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 1.255 -4.556 -1.421 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 6.165 -16.428 0.763 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 1.278 -1.627 7.303 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 -2.735 3.471 -2.018 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 -5.608 -0.159 -1.177 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 -2.757 6.228 3.572 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 3.363 0.336 3.407 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 -1.435 -5.130 5.465 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 10.851 5.012 9.837 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 10.245 6.946 1.848 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 8.026 13.081 -8.558 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 1.677 0.499 1.080 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 7.024 -6.296 1.932 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 7.251 9.684 -16.121 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 -21.259 20.145 -3.536 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 -1.602 -7.868 -2.153 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 6.178 7.100 6.707 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 -7.521 14.804 10.042 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 -2.976 1.538 -5.552 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 -13.760 10.886 -25.600 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 -21.352 -7.294 6.904 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 -1.061 -2.902 5.350 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 6.152 21.748 8.841 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 3.098 17.112 8.524 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 -0.654 -3.318 -2.398 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 -2.091 -4.261 1.891 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 -0.531 0.994 -0.439 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 -1.514 5.599 2.860 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 8.624 4.770 8.639 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 -7.150 -23.693 9.196 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 5.923 10.539 -4.243 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 4.965 20.056 -9.178 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 5.768 8.102 -5.534 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 0.773 1.938 1.660 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 25.077 -11.913 -8.290 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 11.348 0.444 -1.485 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 0.447 3.324 3.628 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 1.074 3.014 4.555 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 -4.939 17.971 -3.391 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 1.447 6.944 -1.721 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 2.142 6.800 -7.172 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 1.809 7.009 -3.092 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 -1.520 5.705 -0.983 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 6.486 5.754 2.671 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 4.368 22.790 -13.419 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 -6.014 -10.985 1.736 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 5.188 0.458 10.729 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 -12.678 -17.674 -4.116 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 -1.823 -0.770 -1.602 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 -0.741 -0.454 -0.001 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 0.675 3.495 7.832 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 -1.224 -0.259 0.553 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 -6.800 -6.248 -5.024 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 8.339 1.802 4.665 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 4.076 0.530 4.133 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 -6.126 -0.560 20.106 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 -12.292 0.800 28.748 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 6.930 2.294 -1.797 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 -0.253 -17.330 -3.310 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 1.217 -4.063 -4.685 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 -1.132 5.097 -2.280 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 11.752 -18.128 3.751 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 3.439 -11.155 -2.230 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 4.975 2.483 -5.303 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 -23.242 18.738 7.726 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 29.121 21.594 16.686 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 0.950 -1.220 4.525 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 -2.503 9.606 14.611 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 20.491 -20.830 15.613 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 -2.080 3.138 -2.525 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 -0.185 0.803 -4.525 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 3.357 10.429 16.049 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 4.604 -3.133 -1.509 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 14.875 6.397 -19.180 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 24.936 -5.938 -13.440 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 3.783 -3.217 0.047 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 5.524 -2.649 2.414 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 30.785 -1.258 21.257 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 -8.655 2.543 -1.751 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 11.811 12.607 9.787 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 -4.192 20.295 -8.402 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 -0.429 9.439 -1.009 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 -17.328 2.312 15.719 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 8.122 -0.000 7.928 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 3.836 5.053 4.362 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 4.739 11.927 -5.705 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 4.877 3.530 2.144 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 4.475 5.318 -1.468 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 22.774 16.242 7.540 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 1.181 -19.403 -1.496 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 -4.448 1.036 -5.017 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 -2.802 -1.001 -4.804 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 -1.040 1.510 -10.434 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 3.498 -0.628 0.830 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 -16.038 -14.115 21.928 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 -4.422 -5.755 -7.967 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 -0.307 2.432 -6.787 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 -5.372 -1.494 49.614 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 -11.372 31.697 -14.509 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 -6.114 -0.475 -3.483 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 -8.967 5.353 1.447 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 8.470 5.484 -6.411 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 -4.190 -3.653 -3.135 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 -12.631 -1.963 3.256 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 28.265 0.406 -1.606 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 -2.926 -6.030 2.417 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 -6.113 -3.772 -4.681 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 2.045 19.874 -17.379 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 -1.251 0.704 0.896 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 11.704 11.810 6.657 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 -13.750 7.930 8.522 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 -4.320 3.299 -0.394 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 -1.897 4.465 1.481 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 -2.436 7.602 -9.222 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 -1.816 4.853 -7.424 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 -12.226 4.500 9.552 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 -12.832 2.269 -24.450 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 -0.201 -4.910 2.471 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 -9.218 -11.684 -8.788 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 5.653 4.484 -5.710 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 0.770 0.896 6.589 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 -12.504 -6.584 -2.937 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 12.519 6.013 -7.239 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 -1.850 -0.399 6.055 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 10.845 -2.007 -2.359 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 6.435 2.999 20.687 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 4.313 4.489 3.151 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 13.524 -3.091 -2.354 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 -13.031 6.068 3.062 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 -1.123 5.388 -3.235 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 11.755 2.828 -0.209 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 20.162 15.302 5.534 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 -0.435 -2.042 -7.190 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 -2.992 5.506 -4.338 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 -7.797 6.913 -0.326 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 -3.311 3.922 -0.195 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 -10.361 25.160 0.425 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 -4.182 10.336 0.227 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 -1.237 1.004 1.404 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 7.914 1.941 -2.090 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 9.582 0.201 -3.117 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 3.878 2.749 -5.388 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 -6.410 21.462 -2.979 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 4.446 25.289 -12.558 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 -0.571 0.168 -1.355 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 -26.916 21.044 -10.752 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 -4.172 -6.704 3.772 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 2.374 7.432 2.192 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 -11.007 2.881 -4.906 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 -6.243 11.667 18.782 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 10.129 0.760 -0.446 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 -8.738 -17.698 1.611 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 11.114 4.291 6.108 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 5.639 1.826 -8.946 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 5.056 12.637 -0.954 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 16.551 6.932 -1.997 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 -1.036 6.058 2.522 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 -4.705 -0.804 2.908 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 4.205 3.652 0.239 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 -3.122 -3.726 1.243 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 -3.105 4.692 -17.586 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 -2.436 -8.053 17.637 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 2.333 6.762 1.569 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 30.459 3.831 21.799 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 5.835 -26.756 -26.400 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 2.720 -6.647 0.207 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 3.544 -9.596 5.765 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 3.017 -7.724 7.878 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 6.511 -1.974 -6.258 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 13.149 7.315 -5.237 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 -11.943 0.828 4.568 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 4.477 -3.385 -4.676 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 -6.748 -3.698 -3.916 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 -13.967 0.780 5.882 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 -4.423 4.093 -5.407 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 11.592 10.138 -16.869 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 -20.347 -0.112 -20.890 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 8.839 1.832 5.594 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 4.769 -15.987 1.632 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 25.736 12.907 2.285 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 6.050 -0.849 2.664 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 4.451 -11.557 -4.419 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 26.702 3.767 1.162 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 -3.280 -0.754 8.756 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 -18.667 3.978 17.838 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 7.446 12.989 6.276 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 4.061 -0.446 -3.139 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 3.744 0.816 -6.424 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 3.584 -0.538 -4.922 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 -2.098 -2.220 -6.713 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 0.491 15.988 -8.811 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 11.803 -2.414 -5.334 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 1.501 -2.192 -5.974 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 6.548 -9.019 -17.235 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 -7.715 15.716 -6.578 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 1.067 3.337 -3.578 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 1.216 2.864 -3.973 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 1.990 -11.989 0.501 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 0.527 4.264 3.661 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 2.152 -0.843 -24.006 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 17.911 -16.883 17.415 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 2.580 -0.680 9.487 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 -15.690 -17.649 24.791 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 15.138 2.493 8.335 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 -0.838 -1.786 -2.783 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 17.963 -17.590 2.209 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 -25.980 -20.023 0.351 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 -0.780 -3.187 -2.508 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 8.277 2.237 14.624 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 -10.362 0.796 -1.059 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 -0.135 -2.873 -10.512 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 1.602 39.955 -9.777 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 -33.004 -13.815 -16.172 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 3.331 -0.609 -3.227 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 3.176 -3.269 -28.865 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 3.718 26.952 3.566 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 -6.720 1.973 -3.580 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 23.227 6.046 4.171 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 -8.336 1.656 -3.168 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 -3.920 -0.128 2.812 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 -8.620 2.531 4.148 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 -1.365 14.727 -5.843 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 0.706 0.317 -2.084 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 -4.792 -5.609 8.733 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 10.739 14.458 -5.423 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 -2.605 6.235 3.140 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 1.416 5.420 0.803 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 7.675 13.449 14.064 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 -8.209 -5.204 8.095 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 -9.549 2.825 3.691 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 3.889 -7.043 17.284 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 0.707 0.546 4.240 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 -11.228 0.924 13.407 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 -9.666 -12.425 0.098 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 -0.276 -6.346 -3.637 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 -31.112 -13.313 16.698 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 -8.243 -5.640 2.360 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 7.870 1.730 -0.143 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 11.657 16.288 -7.880 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 -2.043 -11.872 -5.669 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 -0.040 10.266 0.827 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 -0.103 3.403 -4.708 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 -25.268 -46.713 -14.388 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 -1.679 -1.939 6.789 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 -6.544 -12.448 -0.107 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 -9.206 3.589 -14.108 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 -0.109 -0.735 3.215 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 5.635 10.615 -5.874 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 7.767 3.120 15.561 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 -1.324 2.373 0.432 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 6.769 -5.111 1.832 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 2.487 -1.553 1.423 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 -2.927 3.937 4.550 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 -3.326 -6.875 -5.694 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 -3.122 12.317 15.156 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 -1.711 0.379 -0.189 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 -31.461 4.850 19.080 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 16.494 18.256 -17.258 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 1.419 -3.103 -2.991 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 -7.777 12.133 8.010 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 -1.874 3.477 -12.573 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 2.339 0.903 1.014 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 -8.885 -1.177 -0.380 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 -1.881 0.468 -4.089 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 0.405 -0.972 -1.355 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 5.146 9.416 -0.947 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 -2.075 1.369 -3.138 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 0.930 3.438 6.389 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 -18.796 -6.707 27.622 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 -17.885 -14.029 -0.108 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 1.332 -1.658 -0.377 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 -5.809 10.135 7.473 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 -4.978 -1.358 -15.703 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 -0.269 -2.602 0.935 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 -17.380 -16.488 -21.244 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 14.055 -0.980 -14.101 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 5.976 5.990 0.477 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 0.923 5.349 2.426 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 -13.782 23.507 20.379 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 2.528 -0.155 3.263 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 9.810 10.085 -4.046 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 3.550 -7.979 5.515 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 -1.593 3.090 -4.585 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 10.730 4.203 -4.562 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 -4.396 5.227 3.361 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 -1.708 -1.619 -1.931 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 -5.715 -0.122 -4.997 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 13.491 -1.017 11.952 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 5.682 2.782 -2.347 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 1.350 -8.607 -27.437 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 -14.973 3.680 4.839 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 -0.030 0.791 -2.058 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 -19.381 4.555 -5.501 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 11.643 -1.339 -10.664 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 3.181 -1.697 3.938 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 -3.706 -3.729 8.572 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 21.131 3.542 -8.854 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 -2.442 -5.509 -4.470 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 -12.346 -4.764 6.275 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 2.169 7.111 -6.104 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 1.915 1.223 6.573 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 -0.608 2.498 -7.989 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 1.671 5.051 11.860 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 1.147 0.813 -2.536 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 -6.796 26.915 5.446 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 4.782 -9.476 -7.075 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 5.576 4.195 -0.630 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 9.051 -4.022 1.300 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 1.458 11.689 0.885 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 -7.960 -1.090 1.916 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 -10.940 -6.197 2.899 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 -12.484 3.379 1.741 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 -2.375 0.489 -2.579 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 2.110 4.271 6.633 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 -12.466 -7.286 -15.167 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 3.496 4.388 1.362 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 -7.693 23.748 1.011 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 6.135 2.477 1.504 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 -2.229 -4.082 2.835 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 -7.800 10.073 2.883 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 -5.535 0.749 5.420 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 -1.921 -0.210 5.673 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 16.247 -1.076 -4.784 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 -12.684 -8.248 7.634 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 -4.496 -1.573 0.664 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 26.044 3.469 6.721 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 3.156 8.737 -17.478 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 3.080 4.181 -2.992 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 -7.939 27.071 -18.317 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 -1.844 -1.014 -26.170 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 3.446 -1.214 2.600 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 6.128 8.719 -15.786 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 -13.911 25.425 14.045 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 -1.828 -7.488 5.675 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 7.642 -7.097 26.595 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 -1.775 1.935 0.596 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 2.099 -1.865 5.180 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 -17.806 21.072 3.301 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 0.399 7.502 7.711 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 -5.531 2.170 -0.828 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 -2.799 6.613 -22.320 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 15.473 -1.836 5.387 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 6.462 -1.569 5.126 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 -5.065 -3.939 20.295 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 3.023 -9.632 -9.401 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 1.039 1.131 0.879 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 -18.108 -7.665 21.969 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 9.387 1.233 -0.568 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 -3.621 -0.797 2.296 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 -3.721 3.767 -0.682 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 5.171 -21.418 -10.360 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 -0.471 3.279 -3.855 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -18.915 32.639 6.789 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 -31.025 36.271 -0.877 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 4.193 -1.193 3.662 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 -18.757 -4.720 1.291 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 -10.674 -3.497 -7.684 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 -3.571 -1.152 -0.192 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 -10.927 -8.559 7.009 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 -6.704 12.362 4.160 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 2.935 -6.981 1.670 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 13.932 -28.056 -7.647 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 1.572 2.685 -1.359 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 1.887 -7.152 -0.085 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 14.469 -0.867 0.221 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 -3.983 -14.785 -22.204 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 0.177 -5.387 -2.918 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 2.733 -4.547 -0.660 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 11.904 -3.664 6.501 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 -1.747 -1.696 -1.425 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 -0.650 -4.156 -5.416 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 0.256 4.619 -0.753 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 2.147 -1.539 -3.736 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 14.240 -16.059 11.563 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 -0.867 2.530 -8.187 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 3.004 -0.945 -5.536 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 -6.472 -5.058 8.812 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 6.103 -5.687 -20.582 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 1.157 -6.691 1.827 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 3.786 -15.903 9.511 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 -1.110 -7.816 3.071 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 -2.211 -0.076 2.378 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 -3.433 -4.586 -4.125 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 -2.902 4.262 11.570 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 -0.689 -0.994 -2.869 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 -11.068 1.929 -3.895 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 6.460 -21.506 -15.687 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 -2.211 -6.279 -8.467 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 11.864 14.614 -4.049 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 -3.402 -0.760 -4.064 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 -2.716 1.410 5.394 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 -9.935 14.809 -5.324 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 17.140 5.754 6.677 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 1.560 4.996 -3.790 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 12.899 10.368 6.259 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 -7.500 11.814 2.996 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 -2.161 0.380 -2.194 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 0.001 7.015 -11.395 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 -2.320 -3.608 0.283 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 0.939 -3.507 -3.507 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 -6.967 -5.452 -9.991 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 3.994 -11.348 -29.164 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 4.909 -1.100 -3.715 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 13.357 -0.678 -12.565 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 38.031 3.083 -30.132 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 1.623 -1.523 3.626 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 -3.138 -3.283 3.209 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 9.034 -2.006 -7.417 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 -1.687 -1.600 1.336 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 -12.113 -4.645 -4.931 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 -15.025 6.000 3.819 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 5.404 0.741 -0.127 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 6.849 -12.861 -9.602 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 14.254 -3.638 15.668 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 -5.085 1.506 -2.199 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 -2.907 -0.419 -4.576 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 0.808 0.717 0.970 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 -1.112 0.353 -8.956 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 15.136 4.745 -7.756 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 -9.534 15.174 -14.227 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 7.211 7.839 -2.310 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 20.465 -1.563 -27.437 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 -2.727 14.785 16.071 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 -4.970 6.301 -1.623 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 -15.173 -12.901 9.793 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 11.874 10.032 -12.101 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 -5.606 3.267 5.476 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 -2.346 -7.973 6.138 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 -14.006 2.568 -5.032 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 4.511 2.735 2.226 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 -2.357 4.376 -7.532 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 2.205 -1.061 -3.568 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 6.937 -0.554 -1.274 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 -6.815 -1.575 -11.477 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 -6.179 -6.213 8.309 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 1.563 3.257 -1.709 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 -29.140 -13.382 -20.175 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 -15.312 -11.558 -13.925 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 -3.351 -4.997 -0.293 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 0.676 -22.508 8.591 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 -2.613 -1.085 -14.101 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 1.649 -1.767 -2.293 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 5.293 5.602 -6.558 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 0.231 0.585 -2.191 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 1.796 10.048 -3.179 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 0.149 32.178 -24.731 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 4.237 21.569 -13.444 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 -5.439 1.790 -4.038 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 -4.215 22.793 20.421 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 2.011 1.045 -10.030 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 3.874 2.933 -5.624 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 2.595 3.948 -4.731 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 17.787 8.847 0.683 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 -5.839 -2.655 -4.798 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 -11.829 -17.441 7.433 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 -8.992 9.965 -16.703 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 -5.177 -0.405 -2.590 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 -17.810 -13.734 -9.290 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 -3.658 4.026 -4.609 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 -3.190 5.901 4.366 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 8.021 -7.426 -13.955 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 6.085 0.381 -10.129 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 -0.660 -1.278 2.160 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 -2.775 2.672 12.543 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 -7.438 8.688 -7.104 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 -3.971 -8.628 -2.867 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 -10.636 9.379 15.824 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 6.780 -11.642 -10.159 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 -6.078 -4.939 0.942 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 19.919 -9.001 7.740 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 -2.906 6.889 -5.119 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 5.742 -5.363 4.019 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 10.186 -30.506 4.519 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 18.764 5.124 -4.409 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 4.097 2.046 0.345 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 -1.207 -11.409 10.889 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 -6.492 -14.807 22.757 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 2.685 -1.948 -5.415 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 -3.961 2.586 -16.251 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 7.155 9.566 9.992 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 0.922 3.499 3.963 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 18.278 9.537 2.902 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 6.047 5.445 3.468 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 1.506 3.116 -0.134 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 -7.804 -5.292 -14.005 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 11.546 11.917 -3.089 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 4.035 -5.790 -0.339 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 -8.561 7.568 24.270 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 7.698 -8.974 -4.184 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 -1.928 -5.879 -0.494 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 -4.635 -12.635 -9.869 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 7.558 -8.924 2.837 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 -2.047 -7.854 -0.148 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 -7.039 0.367 0.432 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 12.909 12.401 -15.988 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 -2.070 -2.221 1.845 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 13.421 -8.818 -25.340 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 -15.329 4.332 24.644 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 -7.259 9.008 -5.241 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 -31.062 -1.311 4.004 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 0.168 6.459 12.758 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 -3.131 3.427 -1.514 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 6.670 -16.995 -0.324 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 -6.384 -6.191 7.611 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 8.965 -1.500 5.797 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 -6.349 -3.854 6.163 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 -14.852 15.182 -21.578 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 2.945 -3.250 2.038 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 3.028 -7.937 4.743 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 15.710 4.862 7.503 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 -2.022 7.548 -2.380 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 12.890 11.300 -24.926 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 -2.488 7.218 -1.815 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 3.523 -6.122 0.398 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 -4.703 -19.282 -3.281 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 -10.413 -13.933 -9.886 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 -10.076 -4.312 -7.692 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 9.740 6.965 -7.402 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 -6.349 -7.178 7.771 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 -0.384 -3.469 3.394 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 -10.971 15.262 -4.322 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 15.414 26.772 13.964 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 2.521 0.394 -7.493 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 -5.348 0.087 -11.702 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 7.652 16.688 -16.629 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 -5.574 -3.252 4.142 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 0.592 -10.851 -3.465 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 9.806 -15.884 -13.036 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 1.247 2.588 4.509 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 -15.212 -12.463 -29.039 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 4.954 22.901 11.583 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 -4.349 -5.454 5.030 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 -17.223 21.577 -18.367 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 14.913 0.877 20.291 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 1.633 -2.447 -2.620 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 0.807 1.800 -8.706 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 6.065 4.212 -0.185 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 -4.085 -3.550 2.659 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 14.203 33.228 15.021 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 24.949 -0.291 11.309 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 -2.795 0.074 2.165 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 1.853 7.190 -1.114 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 -7.172 -12.315 9.355 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 -5.485 -0.380 -0.967 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 12.112 9.055 -4.587 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 -3.825 -5.160 -2.591 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 -4.380 -4.491 -1.026 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 -2.001 -4.855 0.209 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 -6.319 -3.893 -0.625 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 1.408 6.957 -3.018 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 5.213 11.491 0.904 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 -5.901 11.298 -1.637 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 1.745 -0.081 -3.923 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 0.938 -17.829 -13.879 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 10.446 -11.007 -11.268 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 -0.798 5.966 -4.496 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 -2.232 1.933 -8.800 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 4.317 7.854 -6.140 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 -5.733 -4.956 4.460 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 -4.264 12.025 10.007 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 1.279 -0.013 1.057 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 1.768 0.147 4.706 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 9.962 0.736 5.412 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 12.080 -5.932 13.314 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 0.454 0.438 -1.546 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 -14.204 -2.572 9.462 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 -3.431 10.754 3.030 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 3.438 0.115 -2.942 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 0.171 5.003 5.247 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 2.289 -14.002 -14.485 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 1.283 2.439 -2.006 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 7.731 20.075 -1.298 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 -16.255 3.362 3.555 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 -3.830 4.183 2.782 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 -19.416 5.486 -7.005 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 -10.440 -13.906 -0.181 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 6.778 5.500 3.246 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 -11.008 -4.027 -6.396 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 4.948 -5.661 9.386 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 -2.710 1.498 0.715 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 5.279 8.767 -7.819 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 7.550 -7.021 -2.745 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 2.775 -3.973 -0.450 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 -23.911 -19.265 2.402 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 9.697 1.901 1.839 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 9.030 2.987 2.227 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 14.184 1.722 1.160 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 7.934 3.798 7.841 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 3.241 -1.740 -5.729 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 -22.275 -12.305 6.519 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 7.037 2.049 5.507 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 3.853 -1.102 6.498 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 0.026 4.432 5.098 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 12.409 -10.216 9.500 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 -0.160 0.085 -0.633 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 19.975 16.983 9.771 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 -8.444 2.580 20.421 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 2.145 1.035 -4.880 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 -3.761 8.236 -2.060 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 8.071 0.723 -4.044 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 2.072 1.508 -3.917 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 -18.253 11.504 -4.017 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 -0.016 9.882 -6.185 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 3.184 5.791 1.789 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 18.911 -10.468 5.686 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 6.803 26.149 -26.020 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 -0.642 -0.610 -10.889 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 -7.748 6.678 -12.043 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 -5.803 10.802 -26.549 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 -0.772 4.835 5.878 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 3.627 -3.341 -1.454 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 7.719 -18.606 -2.697 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 -7.621 -5.689 -0.863 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 -22.749 2.664 8.221 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 14.531 -23.702 -19.369 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 -0.089 0.096 -2.982 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 -5.010 1.802 5.208 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 2.993 -6.480 -1.234 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 2.210 -3.604 5.570 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 0.665 -1.060 9.442 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 3.861 -5.568 8.530 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 7.000 4.299 -0.655 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 10.553 -3.742 -19.351 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 4.380 9.764 3.409 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 -7.365 -2.191 0.207 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 -20.053 -2.934 -2.262 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 -18.476 0.432 -1.156 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 -5.632 -1.562 -0.208 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 -2.563 -25.508 9.736 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 -3.096 -29.015 13.071 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 -0.146 2.327 7.157 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 11.066 -11.330 -5.351 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 -2.208 17.563 -4.152 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 3.043 1.381 2.389 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 0.902 3.702 2.060 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 9.756 3.003 2.355 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 -1.179 -4.966 0.434 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 -3.188 4.128 -14.326 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 -1.291 -4.159 5.426 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 -0.790 3.494 -2.539 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 10.069 15.260 -1.180 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 -13.439 8.170 -14.155 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 1.648 -2.928 2.416 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 2.701 -4.770 4.412 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 9.586 -31.138 8.909 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 -4.510 -2.130 -2.153 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 -14.000 -8.162 2.609 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 13.696 3.922 -0.082 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 -1.161 -3.105 1.501 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 10.114 -10.445 -8.425 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 4.904 12.459 4.247 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 1.115 -2.352 0.529 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 -5.214 13.569 19.396 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 -3.908 -1.623 4.055 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 -0.817 -3.610 9.297 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 2.444 10.623 10.383 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 3.279 6.649 9.031 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 5.309 -6.276 0.377 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 8.386 -7.032 1.943 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 -15.609 -0.874 5.755 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 1.585 -3.145 -2.044 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 -13.699 11.880 -12.583 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 -13.220 -15.710 4.887 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 -3.201 -0.959 2.090 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 -9.773 -2.309 10.206 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 -0.150 9.448 0.246 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 1.802 -0.551 1.183 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 4.730 -15.403 12.763 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 -14.517 -5.806 -9.287 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 6.539 -4.379 -0.471 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 -3.583 3.279 -10.351 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 6.184 -4.597 20.878 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 -1.458 -0.726 -1.039 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 -29.486 -3.048 20.234 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 -18.661 -5.338 -1.866 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 0.046 0.262 0.403 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 0.181 -42.748 0.793 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 -0.953 17.585 -33.410 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 -5.152 -0.210 3.934 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 4.101 6.416 -9.399 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 -7.016 -1.438 6.697 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 2.563 -2.207 5.974 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 -5.779 -8.991 24.658 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 18.484 4.843 4.278 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 3.528 1.535 -8.595 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 -12.179 -17.200 24.532 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 -15.375 26.440 9.570 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 -2.532 -8.472 -2.714 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 2.664 -8.064 -2.935 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 -26.599 -14.595 1.518 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 -0.953 -4.350 1.794 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 12.952 -5.520 8.125 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 -0.891 32.845 -10.354 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 -1.354 -0.099 -2.630 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 -17.746 14.398 -8.433 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 2.170 8.013 19.551 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 5.241 4.794 3.831 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 13.697 0.424 -10.301 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 20.656 -5.126 -22.804 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 3.037 0.786 -1.979 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 -7.295 7.631 0.588 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 -2.600 -18.827 15.194 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 3.026 -0.431 0.659 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 -6.210 -33.148 -26.157 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 -2.490 3.535 -0.453 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 2.270 4.484 -4.926 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 -6.596 -1.968 -7.990 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 3.519 -3.531 0.042 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 6.125 -5.411 0.849 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 5.298 -18.265 0.624 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 36.660 4.620 3.323 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 2.002 3.697 -8.969 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 -18.747 11.643 14.739 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 11.751 2.557 -12.195 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 4.620 -7.093 -7.941 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 14.202 -24.640 6.933 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 14.140 -2.245 -3.849 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 -0.041 2.894 0.612 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 27.386 8.311 -18.365 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 -22.842 -4.264 10.126 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 4.428 -3.864 1.553 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 1.426 3.831 -13.392 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 -2.413 -3.497 17.136 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 -4.172 0.892 -1.849 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 3.134 -1.430 7.462 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 -5.270 0.747 3.138 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 2.264 -1.754 -4.575 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 -14.258 4.603 1.686 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 -4.212 31.052 18.132 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 3.431 -2.266 -0.027 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 -10.556 -9.181 20.352 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 2.113 -11.694 2.323 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 0.310 5.373 -3.182 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 -25.837 -8.915 18.580 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 -7.228 26.788 -24.829 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 5.067 0.349 0.251 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 3.672 11.219 8.753 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 -5.623 -6.529 -3.026 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 3.534 -4.246 -3.535 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 11.964 3.768 12.810 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 -0.557 8.357 -8.911 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 -2.376 -0.909 -0.767 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 -5.026 5.881 -2.300 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 -3.284 -15.955 -17.834 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 0.533 -2.193 -1.351 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 -9.582 1.700 -4.425 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 -10.460 20.291 22.037 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 2.724 -3.162 -1.128 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 -4.524 1.251 -3.705 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 -4.248 -11.997 2.391 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 -9.808 -0.397 -1.788 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 20.967 -8.398 -11.103 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 -28.936 7.244 8.225 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 3.053 3.176 -5.448 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 9.449 11.787 -5.463 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 21.052 3.109 1.554 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 1.478 -2.379 -1.769 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 4.051 -23.004 -13.445 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 20.466 9.750 -14.699 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 -1.461 -1.948 4.073 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 -5.795 -8.748 1.453 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 7.395 0.614 -3.472 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 1.480 -1.653 -0.840 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 9.662 -10.214 -0.946 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 -9.556 -4.362 -0.305 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 -2.274 -2.629 3.018 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 -4.179 16.722 13.068 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 -9.535 11.811 38.260 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 -4.333 -3.291 -6.235 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 -4.642 11.899 -17.425 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 6.530 -2.762 -3.880 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 -1.267 -1.601 7.081 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 2.588 -7.176 23.179 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 6.803 1.394 14.508 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 0.968 -1.602 2.660 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 9.135 -20.188 8.189 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 7.371 -6.724 4.065 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 -2.813 -0.036 3.209 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 3.663 8.540 10.025 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 3.616 1.277 -24.845 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 3.901 -1.089 0.488 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 -0.688 29.396 -5.231 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 14.395 -8.375 2.130 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 0.821 -5.076 -0.352 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 -8.565 -8.846 -15.210 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 16.232 -0.407 0.887 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 -6.039 5.371 0.497 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 -9.277 -19.671 0.859 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 3.820 0.472 -4.466 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 2.185 -5.317 3.073 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 -7.727 -15.742 15.438 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 -4.844 -12.042 11.021 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 -1.473 -2.029 -0.399 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 -11.960 -2.314 19.746 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 3.543 18.721 1.741 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 -8.611 -3.722 -10.449 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 -26.129 4.167 -13.090 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 5.527 -27.518 -8.778 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 7.795 0.662 6.803 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 12.633 6.174 -18.642 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 4.103 12.991 13.818 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 -2.733 -1.546 0.879 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 2.522 4.659 -1.175 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 -15.980 17.482 11.233 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 -0.639 -0.460 -0.287 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 14.072 -4.406 11.420 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 -1.598 -12.425 6.663 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 -5.960 -0.251 -2.490 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 -0.144 25.265 -29.952 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 11.612 -20.130 -3.165 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 -3.977 -3.930 3.893 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 12.122 4.494 -4.806 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 -3.674 -19.572 -2.735 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 -0.507 -2.728 4.213 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 2.646 -9.976 23.647 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 -8.431 11.280 -22.290 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 1.638 4.842 6.963 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 -25.896 18.813 8.970 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 -9.700 -22.740 11.642 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 7.406 -7.598 -4.247 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 -3.346 2.475 -2.718 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 11.904 0.921 -4.755 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 1.587 -2.120 0.434 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 -2.317 -3.280 6.212 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 3.775 22.386 11.958 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 7.415 2.081 0.732 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 -9.422 -2.393 13.925 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 17.502 -10.045 1.800 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 -6.668 -1.279 0.329 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 5.455 -17.116 -10.497 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 -16.741 -15.868 15.014 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 -2.259 6.258 3.064 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 6.029 4.390 -23.415 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 -1.307 16.905 -10.141 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 1.025 -3.228 4.394 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 -18.428 1.090 4.711 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 4.815 -3.972 -10.414 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 -2.444 -3.192 3.493 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 -14.037 -18.229 -16.656 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 18.352 -11.539 13.662 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 7.052 4.240 -1.479 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 17.556 2.500 -0.449 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 3.236 -5.359 -0.870 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 -3.045 -1.170 2.313 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 -7.154 4.593 0.403 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 3.718 -12.844 5.596 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 -0.263 -0.648 3.006 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 2.908 -10.197 -7.910 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 -3.269 -8.681 -4.054 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 -0.841 0.658 -1.041 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 7.693 8.723 50.259 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 1.413 -4.700 -15.364 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 -2.891 0.910 0.476 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 2.038 -3.079 4.718 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 15.755 15.105 7.087 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 2.093 -7.207 -9.282 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 2.337 -11.895 -11.389 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 -1.447 -11.413 -20.866 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 0.109 8.535 -5.099 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 10.858 13.755 8.205 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 1.711 8.967 -18.787 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 2.145 7.925 -0.993 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 9.582 8.833 -4.369 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 -18.760 21.692 -2.893 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 0.909 -1.844 -3.332 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 -7.738 -0.435 -18.625 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 0.345 -14.281 -23.068 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 -2.403 4.779 6.626 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 27.389 -26.105 -9.896 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 -19.065 13.327 -3.033 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 -0.390 -7.539 -1.346 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 -0.531 4.683 -3.549 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 22.044 -9.189 4.144 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 3.571 -0.815 7.359 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 5.107 -21.951 -2.796 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 10.053 8.615 2.136 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 -2.126 -2.726 -0.866 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 -9.233 2.026 -10.029 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 -16.298 -10.727 6.677 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 1.642 -10.320 -0.542 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 5.718 -1.608 -12.736 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 -0.536 -11.939 -1.099 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 -3.570 -2.746 3.982 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 -12.916 -4.435 6.189 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 -1.115 5.046 11.946 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 -5.232 -5.564 6.054 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 -32.869 -7.913 10.183 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 -3.493 -7.239 9.707 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 0.352 -0.377 1.188 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 -9.041 -12.959 11.420 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 -13.709 -15.331 9.987 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 1.526 1.396 -3.188 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 13.911 -0.198 -6.385 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 -1.005 11.977 -6.794 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 5.133 -1.563 -2.765 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 -20.604 7.183 -11.628 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 6.521 13.724 18.476 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 -2.360 -2.559 5.962 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 -2.062 -2.164 6.426 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 -3.823 4.673 10.945 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 7.913 -1.718 0.436 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 -10.326 11.731 0.701 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 -1.791 0.224 -9.389 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 3.416 3.692 5.209 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 2.764 11.780 25.750 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 -17.670 -2.674 1.252 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 2.622 7.914 1.590 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 4.287 -4.465 1.370 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 -14.278 11.886 -1.850 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 1.195 -2.934 -4.533 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 -6.306 -19.144 0.961 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 7.632 10.215 -15.997 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 9.109 -2.704 -5.169 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 11.933 -11.674 -6.386 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 4.992 15.982 -3.405 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 -0.848 2.472 -1.628 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 21.457 18.163 11.588 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 0.636 -15.388 -18.160 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 0.931 -0.216 2.912 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 14.820 11.017 -7.175 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 -23.000 3.526 0.312 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 2.152 0.608 -2.725 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 4.345 3.946 7.587 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 -2.384 6.644 -0.388 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 3.119 1.379 -4.624 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 -10.053 18.215 1.439 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 -4.859 0.742 4.570 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 0.142 -2.931 -7.174 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 0.517 -1.859 -5.291 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 -5.732 -0.024 -28.905 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 4.016 -2.582 -0.942 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 11.632 -8.556 -10.146 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 1.502 11.449 1.360 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 4.125 2.392 0.235 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 21.675 -0.133 -15.580 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 7.302 16.916 -6.599 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 3.919 -1.260 1.942 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 5.214 -1.438 -4.355 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 35.651 1.249 -8.413 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 0.030 0.947 3.576 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 13.158 1.909 -5.700 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 -6.841 -12.642 -1.926 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 -1.893 1.982 -5.480 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 -1.161 0.350 13.129 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 -6.510 3.361 -29.721 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 -4.117 3.836 4.179 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 -8.997 -1.762 3.325 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 3.074 5.841 11.753 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 1.442 -3.763 -0.122 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 7.838 4.439 3.835 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 10.549 8.493 4.723 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 4.440 -5.093 -4.755 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 47.078 -5.376 1.435 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 -2.804 36.470 1.584 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 -5.186 2.125 7.853 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 -7.662 15.030 -3.820 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 10.256 5.658 14.917 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 2.740 1.062 -0.256 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 7.286 11.112 -13.099 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 -10.565 -0.328 6.127 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 3.644 6.021 1.912 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 -1.266 6.385 17.177 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 26.350 -3.686 7.131 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 -1.816 3.802 0.395 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 11.384 0.913 4.880 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 1.902 -27.484 11.407 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 -0.531 1.571 5.713 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 0.320 14.015 9.736 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 -0.611 -10.713 0.446 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 9.567 -0.515 -4.173 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 7.449 -7.987 -1.645 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 2.286 7.733 14.587 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 -12.716 -2.316 -2.354 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 0.191 0.342 -15.605 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 -14.597 -2.764 -16.137 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 -4.992 -5.097 -7.027 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 8.567 -11.592 10.326 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 0.076 17.952 -10.142 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 -5.919 -0.270 -4.117 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 -2.424 -4.757 -16.182 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 4.303 -6.431 -2.222 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 1.210 2.768 6.223 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 -22.006 1.906 7.704 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 4.037 1.258 4.849 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 -8.173 2.318 4.935 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 13.073 3.811 29.846 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 -34.877 9.964 3.561 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 0.984 0.779 10.258 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 5.245 16.450 -4.992 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 -22.377 8.635 -29.850 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 0.905 2.728 8.253 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 5.633 3.135 -8.672 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 -10.700 11.822 8.038 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 -1.975 -1.781 0.822 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 -11.850 18.107 14.842 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 8.902 -5.563 27.622 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 1.158 5.941 -6.160 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 -1.127 1.192 -11.421 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 8.228 7.969 -2.915 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 1.349 -1.106 0.699 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 19.853 7.288 -9.377 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 14.900 5.351 -7.109 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 2.152 -0.613 -1.734 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 1.524 -3.847 -12.508 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 -11.297 17.435 4.533 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 0.033 -1.152 1.383 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 21.580 5.341 20.379 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 0.840 16.262 17.051 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 4.659 1.077 -1.344 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 15.005 2.243 -2.137 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 1.410 2.997 5.958 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 -5.570 2.926 0.417 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 -0.317 -15.854 -7.222 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 -4.988 -0.685 1.873 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 3.489 -4.423 -0.104 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 -19.923 9.459 26.335 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 0.315 -6.865 -7.701 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 -2.321 -2.441 -6.184 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 -23.564 -15.087 5.213 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 -13.965 -7.465 4.276 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 -1.868 4.131 0.467 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 1.281 14.822 2.057 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 -19.830 4.100 2.458 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 1.629 2.599 -3.871 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 6.942 11.906 -6.667 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 -2.339 -6.677 7.200 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 -0.903 2.949 -1.036 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 -7.466 -0.608 5.727 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 -5.520 6.306 -5.686 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 6.001 3.999 -1.215 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 5.623 -4.381 4.778 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 -5.509 14.524 -12.331 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 3.564 -0.622 5.101 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 13.874 7.747 10.949 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 0.089 1.912 8.724 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 -5.787 4.571 3.133 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 -24.752 -21.916 0.978 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 -17.500 1.370 4.725 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 -1.878 1.333 0.299 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 -35.881 -7.455 4.705 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 -8.994 -7.748 0.980 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 1.471 2.917 0.497 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 1.389 3.534 -14.218 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 3.197 -11.323 7.347 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 6.771 5.540 -2.601 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 5.946 -5.314 10.575 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 12.982 -3.159 -14.806 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 2.551 -0.701 0.324 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 7.390 -2.332 10.479 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 -0.248 -6.494 -5.786 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 -2.995 2.341 -2.406 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 9.289 -3.971 -2.987 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 5.492 2.516 -5.642 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 0.607 -1.679 -1.539 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 -27.982 0.830 -13.175 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 -10.577 -1.204 11.816 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 1.258 5.087 -1.474 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 -19.276 12.536 -21.498 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 -13.996 17.410 -15.821 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 1.967 1.158 1.674 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 -9.036 5.692 16.984 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 -0.459 13.119 -12.716 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 2.064 -0.591 4.440 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 -12.264 8.019 -6.978 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 4.954 14.422 14.081 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 3.263 0.583 -3.287 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 -2.017 3.331 -5.184 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 3.488 -14.637 7.882 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 -6.955 5.160 0.158 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 1.085 -3.457 11.938 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 4.212 -4.529 8.282 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 2.343 -1.053 -8.594 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 2.004 2.114 8.639 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 15.330 -8.711 -13.630 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 -1.478 2.703 -1.540 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 -20.383 -2.769 -7.364 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 23.148 -1.525 11.101 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 -0.226 2.166 1.526 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 8.411 21.359 -4.067 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 6.293 18.271 -3.709 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 -2.874 1.084 1.383 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 14.924 -5.711 -4.199 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 -13.836 -6.797 -10.025 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 1.248 -1.258 0.464 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 4.588 3.367 0.680 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 1.543 7.349 -4.818 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 6.430 -9.012 2.521 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 -3.428 3.634 0.984 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 -17.743 18.158 -15.966 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 4.914 -3.750 7.042 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 1.460 6.938 -3.795 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 12.318 -15.244 -1.743 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 -3.471 -1.733 1.500 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 -6.660 22.906 4.901 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 -21.567 -2.256 6.551 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 -9.506 4.015 4.092 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 -4.047 6.592 6.449 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 -14.079 2.226 -0.586 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 2.380 2.550 3.883 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 7.535 8.627 3.583 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 -0.484 -3.154 2.197 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 2.041 -0.060 -0.968 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 3.493 -0.345 -1.550 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 -6.222 -2.776 -13.438 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 -1.361 -2.893 1.509 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 16.590 4.032 15.378 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 -4.228 -14.610 -13.827 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 -0.706 -3.720 -1.184 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 23.886 -1.464 -12.914 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 -5.189 11.674 10.469 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 5.834 0.135 3.924 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 8.591 3.934 -8.349 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 -9.419 10.990 -3.420 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 -1.473 5.731 -2.368 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 -4.732 27.597 12.498 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 21.839 -13.066 -7.219 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 3.501 -4.217 -3.495 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 -3.402 -7.853 -23.302 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 4.388 0.689 4.481 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 -4.152 3.341 -0.737 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 2.710 -3.361 -6.291 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 -22.544 -3.893 7.094 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 4.610 5.008 1.319 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 34.264 17.788 2.186 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 9.936 10.796 12.285 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 -6.162 -1.116 -0.300 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 -6.103 -2.608 -1.565 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 -1.755 13.297 4.509 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 -0.817 4.417 -2.173 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 1.411 16.312 26.182 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 -17.574 -23.648 2.021 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 -4.834 -1.827 6.619 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 8.654 -3.675 2.190 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 1.683 -0.123 14.449 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 -1.580 -2.685 -0.760 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 -5.862 -7.964 0.641 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 -3.437 -3.937 0.396 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 -2.845 -0.655 1.247 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 1.093 0.185 8.638 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 -11.573 0.013 1.533 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 8.885 -7.545 0.937 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 -0.501 14.314 11.077 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 4.654 -1.608 -0.779 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 1.558 2.722 -1.043 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 7.254 -0.172 -7.098 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 0.713 18.499 1.813 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 2.894 -3.372 1.239 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 9.967 6.587 -1.928 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 -0.261 -19.114 1.763 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 -2.778 2.967 -5.092 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 -1.825 1.779 -5.096 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 1.405 -8.904 -8.420 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 1.936 -3.809 -3.075 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 -1.584 -20.839 17.126 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 2.617 -1.952 -1.187 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 -4.652 1.054 0.344 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 4.004 -7.900 2.092 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 -7.552 -7.562 -5.747 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 0.478 -1.046 0.364 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 -4.738 1.558 -20.271 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 -15.527 -6.140 5.706 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 1.032 -3.854 2.057 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 -12.242 11.368 -0.632 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 12.379 3.408 11.185 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 2.412 8.872 -3.736 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 18.606 0.514 9.792 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 -2.949 8.824 17.160 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 2.816 -3.776 -2.006 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 0.057 -1.403 -4.572 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 0.116 7.728 -10.209 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 -2.060 -2.161 0.691 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 19.944 -7.082 -34.497 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 -1.120 -6.518 -8.490 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 -6.840 -9.730 -3.084 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 10.579 -27.939 14.454 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 -5.273 5.335 -6.424 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 1.491 -0.473 4.087 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 2.530 -6.229 -1.296 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 -2.469 -0.605 -0.958 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 0.731 3.843 4.748 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 -5.454 7.221 -4.900 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 4.719 5.036 4.083 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 2.255 4.536 -1.560 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 -6.659 3.301 -2.524 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 23.355 12.264 5.018 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 1.373 -1.060 -1.152 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 -3.304 9.858 12.102 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 -0.941 -17.338 -11.855 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 0.273 1.431 -1.022 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 -12.364 8.373 -25.185 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 8.612 -28.330 -37.106 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 -0.361 -2.902 2.836 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 5.298 -8.537 -19.023 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 15.481 -18.610 11.973 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 3.989 -1.381 2.390 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 -1.244 0.166 9.247 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 -0.125 -12.305 3.732 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 -6.761 -5.268 4.963 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 -7.052 4.126 -11.637 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 9.280 -1.440 27.540 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 4.320 1.033 3.518 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 2.524 -3.793 -19.695 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 4.405 -0.775 -3.868 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 -8.392 -3.599 1.566 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 -2.186 13.923 11.411 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 6.906 -7.865 -11.716 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 -5.920 -1.786 -3.432 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 -8.672 6.312 5.609 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 -5.653 -8.743 -14.581 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 -6.877 3.008 9.179 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 23.516 2.069 -12.704 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 -4.864 -3.847 1.685 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 0.771 -2.067 5.590 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 -12.404 8.803 1.830 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 3.703 -23.764 6.497 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 5.977 4.789 -1.026 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 5.145 3.768 8.636 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 6.943 3.533 3.191 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 4.917 -4.195 0.699 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 -2.232 -3.291 -1.122 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 2.048 -5.167 10.051 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 0.588 5.729 -0.268 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 4.397 6.959 -2.257 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 -12.279 1.363 7.443 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 -0.714 4.666 -2.074 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 0.129 9.263 -2.111 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 1.726 3.416 -5.231 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 -2.872 -3.163 -0.556 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 4.698 -3.179 -1.844 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 -4.771 3.643 -1.748 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 5.262 5.553 -3.328 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 7.783 6.351 -16.775 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 0.608 14.884 -14.857 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 2.324 -3.073 -0.614 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 9.486 -8.741 -12.608 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 -7.459 -7.886 -0.486 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 4.031 0.129 5.183 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 12.179 12.669 0.100 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 -2.534 -17.899 19.867 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 -4.554 -3.561 0.152 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 -23.220 2.233 7.654 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 0.570 -16.128 -1.120 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 -0.787 0.824 -0.656 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 11.279 18.844 -4.464 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 -11.426 -15.563 -25.598 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 0.217 2.016 5.384 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 10.322 -5.008 -26.182 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 15.605 9.899 20.398 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 7.578 1.952 1.601 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 -3.053 11.501 22.074 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 -0.571 6.679 9.062 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 -7.334 -4.322 -2.984 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 -16.769 -2.806 -3.989 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 -23.246 -10.181 -11.587 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 2.539 -2.683 2.494 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 2.492 2.393 -6.878 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 -13.311 2.689 -7.631 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 5.775 0.287 3.191 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 -0.672 25.070 -15.514 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 -15.310 9.273 -10.485 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 0.058 -4.045 7.633 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 -6.357 2.581 11.191 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 -12.360 -1.547 -0.599 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 -0.795 -3.123 -1.595 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 -6.646 -11.489 -15.082 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 -2.604 -3.651 -13.586 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 4.276 0.971 4.159 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 11.227 -1.846 3.563 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 12.529 14.571 4.407 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 -0.686 -2.396 -2.882 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 0.155 -7.026 6.879 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 -15.256 -10.408 2.203 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 -1.601 3.153 1.824 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 -4.339 10.263 -9.572 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 0.332 -3.201 29.619 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 0.149 1.448 5.501 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 -16.275 -2.058 4.438 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 17.200 7.344 0.762 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 -8.357 -1.835 -6.725 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 -1.234 13.686 4.327 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 4.704 -16.812 -4.404 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 0.149 7.769 -4.274 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 -0.997 5.584 15.098 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 -7.458 25.886 -4.440 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 -10.123 -5.654 -0.257 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 -6.639 21.053 -16.915 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 14.773 -22.880 -7.923 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 1.357 6.388 -0.108 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 10.009 2.864 23.558 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 6.273 6.608 5.875 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 1.492 -3.560 -5.306 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 7.753 -12.866 2.864 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 -0.701 0.889 -7.290 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 3.301 -9.682 -5.223 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 1.495 1.820 -4.680 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 -0.955 -12.705 6.827 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 -5.081 1.714 3.135 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 5.418 6.993 1.935 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 12.437 -18.844 0.948 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 -1.771 -5.365 -2.372 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 -2.734 -4.785 -1.333 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 14.989 4.002 -27.269 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 -1.775 2.654 0.820 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 0.700 3.376 -10.533 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 1.913 15.058 -3.879 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 -0.260 0.506 0.333 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 -15.563 -27.459 -9.334 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 15.831 -0.398 8.780 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 -8.432 -1.326 4.081 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 10.195 -0.327 10.680 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 -4.440 6.891 -15.827 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 -1.504 -0.077 4.696 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 1.727 14.447 15.225 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 12.122 7.630 9.024 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 -14.116 10.871 0.981 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 -10.258 -2.898 -2.089 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 -22.175 -9.284 -12.885 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 -6.578 5.219 -3.127 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 -28.095 18.971 -13.562 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 17.314 -7.912 -3.271 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 7.726 3.388 0.176 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 14.378 -7.086 -18.479 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 4.613 -18.679 -10.608 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 0.440 2.045 2.125 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 5.737 4.744 10.813 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 -5.964 -5.796 -11.459 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 -0.943 1.213 -2.590 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 -2.197 7.808 -17.901 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 1.809 -10.920 23.377 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 -0.588 0.322 0.455 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 -2.362 -11.756 -12.617 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 -6.824 -14.958 -11.993 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 3.004 -1.742 6.486 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 -2.418 -1.354 5.515 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 13.950 -1.140 6.750 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 -0.649 -4.014 5.811 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 -11.633 -0.994 -5.978 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 -10.785 10.820 11.378 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 7.749 -3.848 1.127 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 12.467 12.523 0.770 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 27.561 -15.423 -1.237 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 0.809 7.291 -2.014 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 12.696 5.070 -11.725 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 -21.392 24.490 -12.142 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 -0.688 -0.256 7.971 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 12.325 8.787 14.248 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 0.059 -4.945 24.313 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 0.698 -8.245 1.544 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 10.614 29.875 6.252 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 5.415 -16.901 3.251 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 -0.187 -0.569 -2.292 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 5.749 10.615 -8.345 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 -2.913 27.039 -0.947 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 -8.444 -8.538 1.906 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 -32.947 7.870 12.534 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 -12.841 4.584 -12.210 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 -7.940 -3.167 -0.952 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 4.361 -9.927 2.926 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 -16.079 1.639 -3.659 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 -5.109 -5.489 0.440 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 -15.815 -1.089 5.459 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 -7.024 -6.465 7.368 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 1.682 6.854 -3.884 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 -8.163 -7.298 1.336 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 3.732 5.981 -7.257 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 0.964 -8.783 2.449 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 4.576 0.149 13.911 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 17.511 -22.187 5.153 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 -1.204 -0.195 3.708 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 1.677 -11.401 -0.171 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 1.500 -3.220 3.947 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 3.695 2.361 -8.535 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 0.024 0.674 -31.502 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 0.484 -2.710 -25.429 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 3.625 1.735 -1.524 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 26.077 -3.591 -5.942 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 -3.408 -12.152 -7.980 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 -6.238 2.381 8.159 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 -16.141 14.501 -17.943 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 8.081 -4.640 16.282 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 0.056 3.240 -5.014 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 -5.853 -15.790 -5.136 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 2.305 -12.032 -2.084 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 2.221 -5.926 3.767 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 -33.791 -11.936 3.003 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 -24.035 -21.600 3.921 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 -2.044 5.209 -3.140 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 -12.969 2.341 -3.371 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 -2.828 12.973 3.699 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 6.536 4.465 6.074 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 7.306 1.912 -6.963 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 0.974 21.154 -21.407 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 3.364 4.304 2.730 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 15.276 -0.878 -4.593 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 0.275 -7.084 8.212 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 3.419 1.133 2.191 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 1.400 -0.854 -20.039 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 9.856 4.347 13.997 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 -0.520 -5.824 2.364 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 -2.270 -1.864 20.369 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 -17.186 -6.974 -7.269 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 1.387 -3.315 -2.373 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 -1.182 -6.881 -11.083 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 -4.923 -4.687 10.679 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 -2.381 -0.473 -3.491 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 -3.329 2.458 -7.205 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 -5.017 -0.037 4.554 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 -1.887 -2.653 7.541 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 20.863 -3.005 -23.568 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 19.130 -2.033 0.872 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 -2.206 2.646 0.820 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 -10.968 14.961 -20.141 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 0.213 14.164 -3.531 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 -1.819 7.888 -2.648 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 -0.843 13.303 7.915 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 9.710 11.478 6.684 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 -3.566 4.228 -5.675 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 -6.491 0.954 -5.011 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 -15.724 -8.152 -6.079 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 -3.582 -2.594 0.849 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 -8.788 9.494 -9.632 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 13.213 -29.546 21.744 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 4.821 -9.224 -0.384 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 -28.626 -32.827 -11.532 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 29.852 12.223 6.636 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 -0.050 -1.433 5.549 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 -4.169 -3.195 9.373 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 -17.764 -12.742 -0.442 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 -2.506 -3.182 0.976 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 -6.592 -15.021 -0.233 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 -1.334 1.689 1.540 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 -8.213 3.291 -1.565 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 22.197 -11.473 -4.643 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 -4.429 -4.548 -12.341 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 4.232 -1.835 1.002 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 22.710 -20.082 13.119 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 -10.634 -28.571 1.606 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 -1.584 1.482 0.340 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 8.344 -2.267 6.805 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 -10.607 9.499 4.066 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 0.259 -4.142 3.349 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 8.125 -7.276 6.704 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 -34.079 6.598 -19.679 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 -0.062 -5.390 3.878 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 20.519 3.301 26.084 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 -3.062 -16.065 19.577 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 0.588 -5.662 -5.805 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 8.336 0.005 -4.672 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 -10.904 -9.035 5.887 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 4.353 -5.222 -4.939 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 -7.055 -17.142 5.119 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 1.111 -5.060 -8.965 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 -3.580 1.085 -6.378 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 6.983 0.303 -9.821 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 -3.056 30.129 3.538 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 2.146 -3.007 5.839 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 -2.978 19.875 18.010 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 10.250 -6.433 1.160 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 -0.910 -5.042 -0.919 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 -0.247 -6.047 -1.988 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 -10.837 -0.386 12.864 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 -6.987 3.095 -0.290 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 -14.621 -9.784 21.877 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 -7.670 33.689 5.641 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 5.288 0.850 9.356 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 -4.536 -5.446 2.094 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 8.139 2.364 0.660 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 -6.016 1.151 3.762 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 -0.614 10.217 7.083 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 -23.296 23.004 -6.546 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 6.823 3.475 -4.111 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 21.396 -0.083 -9.209 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 -14.472 -2.286 -4.585 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 0.537 -3.486 8.403 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 13.521 5.945 10.242 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 -0.210 -12.126 -5.447 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 4.661 0.323 -5.348 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 -0.119 -8.160 0.591 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 -8.225 -23.038 11.856 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 2.401 -1.771 -2.163 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 -13.906 -8.408 -4.890 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 0.155 20.711 11.852 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 2.055 -5.477 1.614 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 -15.849 28.197 8.604 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 -6.572 13.010 8.430 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 -0.434 1.504 6.438 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 -12.761 10.466 -8.303 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 -19.375 4.724 -5.069 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 -0.672 -3.132 1.431 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 -11.018 -3.308 -11.079 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 -6.675 -1.564 -2.219 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 0.693 1.080 -2.205 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 3.695 0.782 -5.524 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 -2.461 3.746 2.154 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 2.237 0.623 5.408 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 5.862 -20.344 20.135 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 -3.699 22.225 -4.856 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 -1.882 -1.958 0.263 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 43.227 -11.473 12.597 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 11.647 4.683 16.830 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 -3.074 2.806 -1.318 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 6.952 9.410 -0.575 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 -9.448 3.025 2.027 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 -0.885 0.202 6.147 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 5.102 24.020 5.710 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 -22.488 -8.284 9.424 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 5.541 4.990 0.625 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 26.441 4.425 1.243 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 1.567 -10.424 -2.917 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 -4.636 2.283 -5.316 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 -5.421 -7.658 2.341 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 -8.180 10.190 -0.514 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 -7.167 2.742 1.979 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 -4.895 0.475 -26.077 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 -19.539 -17.456 11.234 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 -7.176 7.111 0.298 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 -7.858 -11.734 21.151 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 -7.486 21.595 -13.887 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 -2.786 6.874 1.361 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 -7.156 0.767 -8.683 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 -11.675 1.876 -11.226 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 -4.876 -2.594 2.001 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 -9.240 26.111 -5.870 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 -5.313 4.312 -1.008 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 -1.124 -6.512 8.740 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 -19.873 -20.906 11.086 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 33.703 0.223 3.050 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 1.076 -0.822 11.343 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 19.674 5.229 -7.805 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 3.974 -16.804 33.337 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 -2.812 -5.056 3.319 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 7.721 -4.932 -14.345 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 11.466 0.942 -10.409 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 -5.355 -7.787 0.865 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 -12.816 -1.417 11.302 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 7.736 -12.184 12.106 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 -4.979 0.371 -2.871 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 -8.709 6.016 -2.900 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 -4.173 -1.554 0.006 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 3.486 10.478 -6.073 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 -14.423 9.547 -7.515 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 8.883 -1.031 -18.047 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 -4.312 -1.871 -2.536 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 7.125 5.762 7.842 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 -11.637 -21.504 13.935 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 -0.729 -4.373 -3.332 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 0.409 -7.093 -3.368 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 4.086 -11.658 -3.097 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 0.932 -2.580 6.134 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 7.358 6.089 8.942 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 4.552 5.170 3.339 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 -4.034 9.993 2.560 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 -10.691 -2.280 12.845 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 -7.964 -5.100 9.499 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 7.801 -2.345 -1.928 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 11.965 4.577 6.107 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 10.930 3.776 17.365 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 -2.736 0.045 1.639 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 -10.788 18.119 -1.649 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 17.327 5.346 -0.284 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 4.097 -1.748 2.122 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 -0.503 -10.826 -13.979 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 4.558 -10.702 -0.853 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 -2.856 -1.110 2.143 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 3.051 3.284 10.283 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 3.271 -15.323 3.765 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 3.703 -1.865 0.623 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 9.732 0.011 7.849 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 10.460 8.161 16.027 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 -1.004 1.490 -1.420 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 -13.052 -2.826 14.506 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 -12.247 4.129 -0.196 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 -3.561 -1.685 -4.368 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 8.142 0.917 11.562 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 0.247 -3.390 5.122 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 1.410 3.855 -1.705 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 -6.145 9.785 -1.060 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 -19.471 19.805 0.129 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 -5.028 0.988 1.162 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 -6.491 7.243 -6.377 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 8.241 -0.493 -9.196 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 3.338 -4.077 1.343 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 25.613 -7.276 -16.031 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 9.030 -4.483 -2.759 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 -3.835 13.222 -1.659 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 2.219 14.220 -2.207 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 10.570 3.842 4.537 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 -0.579 -3.948 0.370 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 -2.588 3.095 0.216 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 8.112 -11.462 -11.287 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 1.844 -0.869 -3.373 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 -16.514 1.964 -2.136 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 13.863 6.014 6.580 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 -2.563 -1.561 4.904 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 6.833 -7.246 -9.951 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 -5.901 3.010 9.679 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 -5.305 2.632 6.365 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 5.701 0.233 7.765 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 -4.539 -0.824 -11.138 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 -0.611 1.038 8.524 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 -6.470 -0.627 36.939 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 1.440 -27.831 -6.491 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 -4.648 1.108 2.528 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 -0.759 21.587 -3.697 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 -6.519 -3.575 -5.320 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 0.046 -4.909 2.566 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 7.819 -2.333 6.371 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 -6.664 -8.122 7.092 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 -2.597 3.228 -0.053 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 -3.745 3.659 0.589 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 -10.519 -24.502 14.925 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 0.053 -6.680 4.224 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 -1.867 15.612 15.209 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 19.957 3.608 21.290 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 -2.400 3.942 3.280 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 -25.913 -0.280 4.088 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 -13.797 -4.221 1.416 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 0.870 -1.032 0.400 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 -2.590 12.601 -10.838 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 -16.404 -8.542 7.568 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 -4.457 2.140 6.441 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 -13.413 -16.846 -18.126 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 0.890 -22.913 22.032 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 -0.782 3.216 -1.891 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 -33.478 14.221 -15.841 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 20.631 24.482 -11.090 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 -0.967 2.268 3.506 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 -0.401 -9.773 -4.729 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 -14.507 5.557 6.754 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 4.638 -0.214 3.409 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 -10.813 -19.987 3.250 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 2.726 -4.845 -9.356 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 5.439 4.342 1.986 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 15.969 -9.678 -17.770 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 -20.392 -8.825 -3.090 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 -3.122 2.583 0.441 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 -17.790 10.337 -8.542 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 -25.376 17.951 -16.403 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 1.482 0.386 -1.016 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 -2.964 -1.956 -2.533 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 -6.107 10.189 10.502 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 0.391 -1.559 -0.361 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 8.244 16.855 -18.964 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 -13.137 -5.875 -5.369 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 -4.971 -1.042 7.662 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 -6.224 14.076 7.493 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 4.705 3.230 -9.015 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 -2.736 -5.666 3.734 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 -4.341 -6.082 15.821 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 3.364 -3.890 -20.818 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 -7.979 -2.470 -0.711 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 -14.177 -6.214 2.161 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 -11.835 -6.148 1.679 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 -7.191 3.638 5.461 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 -20.639 -0.049 17.345 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 -19.251 4.620 15.781 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 -7.444 1.162 -1.606 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 -7.151 -1.316 -24.509 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 26.229 -15.084 -6.019 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 -2.040 -0.013 2.237 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 -2.942 -7.707 -11.800 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 -5.402 19.064 -5.167 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 -0.266 4.322 2.861 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 -9.916 -5.572 22.627 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 -6.060 22.184 -8.181 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 -1.047 2.694 5.187 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 1.740 -0.680 -2.120 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 -10.891 14.752 17.548 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 0.793 3.051 2.583 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 13.516 -3.636 14.736 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 15.160 -9.425 15.951 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 -1.199 -5.300 6.236 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 2.798 1.571 22.259 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 -7.037 14.672 -7.301 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 -1.394 -0.995 -2.580 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 0.750 -2.786 3.961 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 4.227 0.224 -6.520 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 0.917 -1.966 -2.533 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 -10.810 33.144 -12.355 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 7.633 4.293 -1.034 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 -4.917 1.015 0.223 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 0.076 4.674 8.531 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 -7.872 -5.324 -2.766 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 4.537 7.197 1.526 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 16.262 21.167 -16.008 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 6.199 5.008 1.309 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 0.750 -0.083 2.221 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 -2.436 11.465 5.660 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 1.155 3.207 15.107 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 -0.018 2.535 -0.085 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 -10.604 22.694 -6.202 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 -8.686 0.749 12.515 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 -0.341 -1.288 4.917 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 1.204 -6.887 2.973 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 4.092 -11.492 -0.301 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 -8.269 -2.898 -1.078 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 15.402 -13.158 6.607 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 -13.480 15.683 17.631 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 -6.951 0.655 -6.349 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 -26.113 -8.023 4.433 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 15.076 -8.879 -20.337 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 -3.557 -3.832 4.394 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 -2.080 -2.544 -8.535 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 3.972 6.257 -0.801 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 2.547 6.816 3.756 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 17.980 -0.249 -16.342 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 -6.729 3.906 5.811 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 0.751 1.963 3.056 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 -13.488 -0.018 10.383 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 26.610 -9.193 -5.872 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 -8.869 -4.207 -4.497 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 -3.021 -14.684 4.761 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 3.574 -16.043 9.521 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 2.380 -2.020 3.096 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 -13.879 -8.879 4.669 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 -11.207 -5.652 -3.365 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 -4.433 1.891 -1.769 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 -1.506 3.046 -7.307 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 1.390 13.893 -16.612 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 -1.691 3.999 4.387 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 -15.576 18.900 -4.911 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 1.039 -19.140 -8.148 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 4.012 3.312 2.757 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 4.044 0.078 2.950 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 4.172 9.063 1.822 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 -1.382 4.978 1.870 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 -7.131 -1.561 -1.567 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 -0.763 7.420 4.309 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 -3.384 8.365 -0.954 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 -1.894 25.579 15.555 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 0.772 -4.828 -3.971 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 0.351 -1.779 -4.952 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 5.006 -11.078 -12.911 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 -3.924 -1.725 -2.682 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 -0.696 -6.003 -1.469 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 -13.150 -27.921 9.059 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 -8.461 3.985 8.821 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 -2.720 -1.801 1.654 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 -0.885 -5.249 0.087 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 21.538 14.203 -2.756 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 5.818 5.871 -5.668 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 -1.138 4.619 -24.132 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 6.888 -8.874 -0.829 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 -4.266 -1.152 -1.966 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 6.007 7.027 -2.621 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 0.541 -10.202 -0.640 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 0.100 1.425 -1.947 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 20.939 -19.673 -5.404 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 -23.655 5.014 -17.414 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 -7.174 -3.296 -4.335 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 12.954 10.503 -17.379 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 -13.302 26.076 -0.746 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 1.288 -1.347 2.550 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 2.651 4.305 7.159 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 2.600 2.186 -3.100 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 -0.121 3.344 -0.025 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 -29.853 -0.824 -3.704 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 13.829 6.308 -7.289 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 5.909 1.600 -2.291 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 -4.924 -8.060 -11.601 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 17.567 1.153 -5.720 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 4.583 1.178 0.750 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 5.400 6.722 9.980 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 -2.545 -4.851 -7.571 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 1.964 -1.989 -0.320 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 1.713 7.033 -7.305 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 -9.277 -0.679 -6.682 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 1.546 -1.055 4.418 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 -16.001 6.493 6.205 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 -19.974 8.236 6.695 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 1.038 1.183 0.821 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 -5.365 7.104 0.767 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 -0.122 4.878 8.397 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 -2.375 0.584 3.179 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 0.288 0.878 -3.200 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 -8.648 7.338 2.625 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 -3.015 0.171 -0.428 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 -2.131 -15.046 -1.500 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 -13.409 14.307 -9.420 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 -3.699 -10.751 0.720 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 11.299 -0.307 22.729 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 13.899 9.139 18.377 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 -3.012 4.390 -5.288 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 3.524 3.179 12.108 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 -10.731 15.753 -11.659 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 -1.420 -2.048 1.256 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 -1.701 23.614 16.039 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 -5.111 -21.407 23.513 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 -2.236 4.446 -3.215 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 -11.036 6.722 -13.322 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 3.072 11.046 -9.516 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 -2.920 -0.774 -0.391 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 -11.961 -1.994 0.229 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 4.662 0.700 -1.401 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 0.285 -0.916 6.546 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 -5.095 7.099 0.521 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 -2.470 11.353 -12.474 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 3.138 2.112 0.947 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 1.186 2.553 -0.124 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 17.547 -3.831 -8.719 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 6.461 -3.147 -3.910 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 -8.639 6.108 2.762 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 -28.211 21.622 2.072 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 6.189 5.682 3.805 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 25.118 -3.109 10.333 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 -0.798 -3.399 -9.464 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 -7.254 3.371 -0.562 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 17.883 -7.272 7.987 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 -35.461 16.684 12.286 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 2.898 -2.119 -3.353 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 -17.537 -21.600 -10.855 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 -11.201 10.473 -7.697 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 2.262 -2.461 0.607 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 0.410 -17.291 -11.052 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 2.418 -1.724 8.175 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 4.975 -2.478 1.206 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 8.339 -0.699 -8.317 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 21.022 -6.449 -0.441 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 -1.396 -8.849 8.435 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 -0.936 -10.634 6.780 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 26.358 2.121 8.606 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 0.251 4.194 3.177 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 -0.582 -1.454 -0.601 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 -7.588 -9.210 -28.985 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 -2.370 4.260 0.760 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 27.116 38.534 4.618 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 -10.001 -3.990 0.052 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 2.636 -0.271 4.189 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 9.576 -13.458 28.379 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 -26.643 -6.441 -1.780 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 -5.690 -8.037 -4.107 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 -16.055 -17.917 -9.484 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 16.569 -1.063 4.990 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 -7.913 0.044 -3.258 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 6.432 7.361 -14.558 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 14.714 -1.443 11.893 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 -2.691 5.972 0.683 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 2.641 -9.369 -2.888 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 -2.032 5.831 17.207 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 1.979 -8.655 8.834 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 -3.448 -13.600 5.450 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 -0.968 -1.929 6.438 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 5.851 0.545 1.681 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 17.258 -20.168 3.603 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 4.463 -16.095 -12.775 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 7.061 0.062 -2.429 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 8.917 2.541 -10.925 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 13.795 -27.483 16.557 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 1.125 -1.257 -0.436 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 3.969 -9.514 9.977 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 -2.049 2.998 -6.734 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 1.546 0.866 0.196 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 1.363 6.960 -6.611 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 0.128 -12.482 5.718 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 0.310 -1.886 -6.037 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 2.572 -3.442 -8.745 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 0.652 -13.505 -24.832 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 -3.529 1.057 1.860 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 -3.518 6.343 -5.166 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 -7.775 4.110 16.823 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 -0.409 2.735 -4.094 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 -6.464 10.564 -11.115 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 3.056 0.899 -14.122 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 -11.144 3.600 -2.017 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 -3.322 -9.566 2.258 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 -9.362 7.699 -7.661 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 0.118 -2.134 -0.502 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 -1.245 -14.602 -3.254 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 60.497 -9.982 -9.114 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 -2.649 -2.202 -10.240 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 -14.060 -7.510 -17.754 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 -2.451 -7.436 0.245 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 -5.989 -3.208 -0.679 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 6.305 6.654 1.885 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 -1.636 2.973 3.073 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 -1.620 -4.020 -6.773 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 -5.347 -3.868 10.241 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 -4.555 -7.294 -15.246 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 0.567 -3.125 -0.912 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 -3.839 11.633 6.232 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 -11.786 4.160 -0.113 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 -0.741 -6.519 -2.832 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 -2.190 -16.626 -6.070 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 4.469 1.217 1.666 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 3.646 3.063 1.039 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 6.104 1.273 1.046 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 -3.406 10.406 1.691 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 4.851 -5.446 0.762 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 -8.261 -5.139 5.518 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 -3.177 -5.640 5.420 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 4.554 9.503 1.896 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 -0.887 14.745 21.316 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 1.543 9.827 8.047 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 -1.124 2.515 -1.666 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 0.720 -11.643 -9.182 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 -0.972 11.964 13.737 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 5.376 -3.410 -10.517 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 5.867 -18.582 -16.404 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 -8.471 -3.592 -2.957 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 5.046 -1.457 -3.060 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 5.479 -0.256 6.161 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 6.697 15.467 -4.055 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 -2.384 3.245 -0.682 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 -3.784 -7.213 -4.002 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 5.832 5.645 -11.266 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 -4.963 6.956 0.684 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 26.720 12.281 6.944 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 9.587 7.759 8.589 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 -0.189 2.803 3.950 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 11.053 13.142 5.349 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 -4.522 0.273 18.388 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 7.301 0.128 4.209 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 8.392 -2.977 -3.871 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 0.777 11.727 -6.504 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 -4.568 0.457 -1.317 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 -5.076 -1.128 -2.833 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 -2.398 1.098 0.736 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 1.281 -4.027 2.920 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 10.979 0.282 -15.247 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 7.483 -0.378 -0.473 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 5.906 -1.484 -0.723 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 -7.768 -6.259 -5.043 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 5.556 13.046 8.712 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 3.749 -0.034 6.686 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 -18.680 -2.669 -1.515 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 6.956 16.436 6.230 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 -6.221 -8.726 3.029 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 -2.549 -6.452 8.557 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 -16.380 -2.264 -9.695 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 2.175 -7.239 2.150 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 0.849 -8.364 -15.807 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 6.853 0.229 -9.859 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 -3.317 4.256 -2.507 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 -5.955 5.576 -0.838 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 -1.495 8.250 13.035 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 2.881 -2.513 -0.628 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 18.678 4.862 6.322 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 -12.670 -12.825 -1.702 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 -0.235 4.061 -3.546 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 3.642 -1.231 -13.774 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 -3.781 -1.502 -6.584 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 0.320 2.111 1.042 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 11.775 7.839 -16.515 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 8.714 14.356 13.418 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 -4.555 -4.626 3.361 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 0.066 -12.740 16.327 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 11.879 3.067 15.762 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 -7.180 -1.892 4.904 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 -9.128 -1.488 5.735 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 -49.573 21.282 12.435 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 -6.768 0.582 1.895 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 -9.465 11.154 -2.756 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 -22.666 0.270 -18.893 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 1.632 7.743 5.173 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 -0.379 4.759 -0.807 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 -0.269 5.155 -1.910 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 4.479 8.956 -1.952 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 -4.450 14.908 -20.480 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 6.628 15.662 9.750 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 -1.339 -3.851 -4.783 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 -14.152 -29.610 -6.625 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 -15.600 8.049 5.925 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 4.885 0.671 2.130 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 19.906 -2.571 -10.915 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 -17.947 0.356 -1.949 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 0.062 -4.928 3.330 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 -22.177 -9.944 2.054 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 7.260 7.148 -3.471 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 4.182 0.209 2.632 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 10.111 1.546 -4.387 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 -1.268 13.907 -1.166 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 3.901 -4.179 -4.510 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 -4.414 -4.345 -0.758 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 5.396 -17.341 -0.958 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 6.128 0.366 0.620 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 -5.512 16.636 -16.959 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 11.354 -10.680 1.797 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 -0.423 2.240 3.250 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 -3.100 -33.666 -7.118 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 -7.597 20.280 30.451 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 1.257 -2.868 -0.112 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 3.308 3.729 3.410 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 -12.857 -15.239 -0.995 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 -5.626 5.094 6.128 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 -4.943 9.003 5.943 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 -8.991 -6.560 3.642 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 0.549 -1.098 2.655 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 8.368 34.650 23.121 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 6.056 -7.309 13.089 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 -6.260 -0.131 4.763 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 -11.079 -6.228 -5.343 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 -8.132 2.699 5.292 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 1.018 -5.573 3.434 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 7.519 15.122 10.312 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 1.512 -20.689 16.017 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 -4.827 1.938 -5.882 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 -1.598 -3.088 5.142 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 -3.550 12.461 -1.471 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 -0.456 -7.193 3.324 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 5.704 -12.824 12.621 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 4.273 2.495 -3.363 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 4.323 2.505 0.730 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 -13.674 -4.004 -23.075 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 -20.139 2.097 10.372 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 -3.439 3.718 0.086 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 6.677 -13.445 1.986 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 -4.141 3.842 -0.907 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 1.840 -0.276 -2.379 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 -9.973 15.893 -6.606 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 -12.050 13.953 -27.627 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 1.698 5.970 6.430 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 7.996 -3.378 14.033 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 1.840 -15.550 -0.068 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 -2.565 0.888 -0.042 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 -0.371 17.528 17.666 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 -13.987 2.363 -1.807 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 2.644 2.820 -0.754 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 3.628 -5.802 -1.241 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 -5.931 3.951 -2.216 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 3.258 1.291 0.411 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 18.104 10.550 -7.128 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 3.568 2.015 13.583 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 -2.102 -0.355 1.475 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 -10.768 1.892 -16.418 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 -0.153 -4.967 -1.109 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 1.005 -2.520 -3.275 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 -5.603 7.212 -2.997 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 5.415 -1.590 -12.746 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 8.554 -2.395 -6.722 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 -14.834 9.118 -10.337 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 12.972 -4.241 -6.100 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 -0.728 -4.099 -1.509 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 0.378 0.426 4.937 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 8.200 -11.458 -3.151 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 -3.008 4.933 3.012 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 -2.654 2.182 7.607 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 -13.474 0.094 -1.539 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 -4.971 0.386 4.149 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 -11.549 1.194 -12.902 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 9.000 25.468 2.473 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 2.115 1.215 -0.749 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 -21.317 5.769 -8.190 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 1.289 19.214 27.509 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 -2.845 -0.401 0.505 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 -2.045 20.047 -7.173 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 -4.441 13.264 -1.269 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 -0.620 -5.686 3.791 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 5.638 -17.558 10.729 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 -5.894 8.640 0.082 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 3.340 8.908 0.011 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 0.742 10.190 5.230 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 23.434 -21.764 4.676 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 -2.743 2.204 -6.791 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 -0.047 8.551 -13.131 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 -4.588 -0.722 -14.371 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 1.873 5.109 1.779 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 1.775 3.644 0.898 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 3.132 12.342 9.433 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 0.273 -0.846 2.775 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 -0.941 9.896 -12.672 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 -0.215 -15.361 -8.254 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 -3.325 -2.352 3.513 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 11.625 -8.817 -2.112 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 -9.042 15.572 -11.433 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 4.279 -6.659 -3.181 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 8.259 -16.622 -2.545 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 8.114 -2.798 1.610 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 4.095 7.092 -5.914 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 7.040 6.478 -7.606 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 -29.078 16.545 -1.062 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 0.328 1.386 -0.455 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 -5.345 -8.469 16.088 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 3.665 6.609 -11.140 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 -1.485 2.004 1.110 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 5.444 7.865 5.612 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 7.927 19.568 6.820 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 -2.407 -0.575 7.308 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 -2.047 0.920 -8.940 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 -13.223 -5.633 19.747 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 4.485 -0.731 1.565 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 -13.938 4.935 -24.985 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 1.740 1.603 8.801 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 2.151 2.411 -2.791 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 8.680 -0.041 -2.005 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 11.863 2.905 -8.505 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 -2.045 -0.102 2.303 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 -8.164 -8.416 12.607 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 4.985 -7.828 2.883 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 4.360 4.341 -1.742 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 -14.050 2.201 -10.068 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 -1.521 -16.472 -23.774 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 -1.928 -6.789 2.510 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 -1.481 -10.379 8.039 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 -11.814 -6.908 2.885 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 7.028 -1.778 8.846 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 24.837 -2.287 2.669 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 -3.622 10.641 0.195 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 2.750 -2.493 -3.914 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 14.834 -4.423 20.221 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 0.556 -22.927 -21.373 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 -1.030 0.433 1.654 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 -9.819 -9.809 3.539 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 12.906 4.023 2.974 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 -2.349 4.562 2.098 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 -9.264 -7.121 11.661 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 10.867 8.004 10.945 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 -3.565 6.523 -4.848 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 -7.629 7.103 3.067 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 -7.395 -2.040 0.756 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 -5.086 5.039 -1.896 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 -13.171 -12.095 13.166 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 -7.024 -7.801 24.589 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 1.266 -2.155 -2.079 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 8.443 -0.542 -2.298 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 -5.806 -6.240 -3.307 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 4.312 3.929 -3.722 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 -2.002 -9.620 -17.466 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 13.111 -17.928 -12.763 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 -0.556 -0.655 -8.118 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 -8.405 1.842 -2.885 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 -1.722 -0.193 -10.240 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 1.791 0.287 8.308 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 22.418 -18.229 5.825 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 -8.500 10.831 -5.436 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 4.931 2.940 -4.698 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 -45.143 14.200 -27.682 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 -12.645 8.570 14.583 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 -5.332 5.470 -10.202 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 -8.862 -7.657 -0.978 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 8.034 0.335 -4.941 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 4.316 6.611 -4.774 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 -15.877 1.225 -14.491 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 -9.793 10.738 -6.935 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 0.349 0.238 5.613 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 -30.579 -9.577 10.546 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 14.638 8.356 -0.309 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 1.565 -3.521 0.831 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 -2.663 -1.799 -4.544 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 26.840 -24.035 16.746 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 -2.451 2.977 -1.357 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 -8.880 11.183 3.434 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 -12.678 -3.032 -8.884 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 -1.915 -4.273 1.078 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 -5.541 3.576 15.734 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 8.507 10.051 0.984 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 -4.648 3.712 -3.610 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 -10.284 9.647 9.854 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 22.901 24.376 -15.519 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 -10.179 -0.710 3.112 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 -11.911 7.083 15.253 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 -8.478 -9.245 0.185 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 1.383 -4.502 -3.441 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 -14.227 -8.316 -0.602 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 -0.395 18.621 0.972 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 -1.589 2.704 -2.942 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 6.349 -8.506 -10.592 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 -4.920 1.018 -4.181 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 0.066 -4.095 -3.757 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 -2.686 -12.297 -21.830 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 -1.137 12.448 4.393 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 6.931 5.336 -0.999 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 -0.550 -11.646 16.517 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 6.411 3.686 0.715 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 -0.390 1.052 2.001 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 6.389 3.403 10.391 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 0.311 4.372 -2.482 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 -2.763 -5.299 2.573 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 1.749 4.454 -2.401 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 -2.058 -4.552 16.243 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 -2.403 -1.395 5.848 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 -13.732 0.048 8.318 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 -17.483 0.009 9.928 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 -6.088 2.895 -0.457 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 6.155 7.953 -3.226 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 -25.309 -7.953 9.516 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 -2.561 -3.484 -6.391 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 2.348 -1.530 -12.156 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 0.639 6.481 -16.185 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 4.404 2.547 5.348 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 24.847 5.437 1.023 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 10.234 3.584 6.769 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 0.893 3.051 1.823 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 -17.160 1.396 -8.600 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 2.034 -10.078 -23.235 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 2.667 -4.578 -2.999 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 -2.655 -0.799 -16.635 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 5.941 -2.252 7.717 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 -3.066 0.191 10.598 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 8.917 5.808 18.091 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 -3.283 -0.171 10.378 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 1.298 5.522 -3.335 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 8.644 6.632 -0.006 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 -3.737 5.207 -3.818 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 11.300 -1.595 1.850 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 25.518 11.686 12.500 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 1.558 8.578 -4.707 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 2.839 1.237 5.380 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 10.191 5.406 -5.819 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 -6.239 -1.071 3.133 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 1.839 -3.505 -1.119 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 7.879 -0.211 19.171 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 7.094 14.463 -3.992 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 -0.528 6.172 -0.095 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 -10.204 17.027 39.041 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 -39.880 -1.309 -6.942 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 4.048 6.012 5.149 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 -25.815 25.528 21.879 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 16.483 -9.740 18.325 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 -3.854 -5.893 -8.000 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 0.648 -8.006 -35.198 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 -19.353 11.602 2.400 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 -2.163 3.701 5.515 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 0.661 3.663 -5.870 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 1.408 -8.729 8.698 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 -1.209 -2.113 -0.571 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 10.545 3.927 11.043 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 -5.279 -10.233 -2.717 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 5.945 -4.750 1.762 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 -8.009 9.351 8.607 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 -22.050 -18.552 -16.003 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 -4.232 1.692 0.342 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 -16.322 11.804 -6.122 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 -8.945 7.709 -5.840 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 7.391 -0.606 9.061 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 16.867 -6.470 -5.035 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 9.098 -1.832 5.884 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 -2.694 4.650 -3.238 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 9.811 -0.502 -0.641 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 -3.965 9.347 -12.986 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 -2.236 -3.852 1.914 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 8.260 15.677 5.084 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 -4.509 22.711 3.717 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 -0.033 0.031 3.777 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 3.396 -8.434 -2.839 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 0.032 -4.317 -4.322 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 -6.096 9.338 0.382 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 -15.230 13.630 5.490 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 -7.692 11.919 -15.669 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 -6.996 -0.112 -9.345 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 -2.982 2.971 1.895 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 -19.636 -1.717 -18.113 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 2.530 -1.712 6.217 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 17.718 -13.337 4.331 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 14.230 0.491 9.834 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 -2.552 2.174 -4.969 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 -4.046 -6.257 -20.567 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 -1.129 -12.316 -9.866 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 -0.082 -5.145 -1.319 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 -4.088 -9.318 -14.257 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 0.060 -4.501 6.237 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 2.273 -7.902 1.038 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 1.732 9.396 -6.731 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 0.691 0.477 -5.923 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 0.878 4.681 -4.475 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 -4.284 -9.931 24.274 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 -6.297 6.633 -13.587 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 2.417 0.283 3.291 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 -1.354 -5.706 -2.300 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 5.551 6.839 8.295 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 2.347 6.072 -2.186 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 1.712 -6.387 -5.135 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 7.335 20.765 0.105 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 5.654 -1.859 -4.736 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 12.559 2.308 -9.556 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 2.813 17.108 7.843 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 0.034 -7.203 2.963 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 3.940 -3.888 -23.646 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 6.127 -9.715 -7.719 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 -1.807 -6.425 1.619 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 -10.718 -16.171 9.567 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 14.304 -7.544 7.963 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 1.722 5.239 0.182 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 10.666 1.883 3.215 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 -0.087 4.948 -5.762 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 2.902 -0.999 -0.321 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 -10.126 -4.036 -5.631 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 17.167 -4.375 -6.932 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 -4.619 -3.341 -0.775 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 -3.575 6.562 -14.338 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 -3.643 -7.591 6.865 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 2.980 3.810 0.568 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 -27.597 -23.169 21.077 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 4.057 11.063 -37.827 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 4.519 3.177 -1.674 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 -7.342 8.405 -13.069 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 -10.016 33.781 -1.123 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 -1.093 -2.880 -1.672 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 -7.296 9.906 14.392 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 0.081 -11.257 -10.083 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 -4.109 -4.164 -4.352 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 15.032 -2.180 -8.834 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 -12.560 5.071 -2.513 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 -0.782 -5.600 -3.646 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 4.727 -2.477 -3.199 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 -3.072 -4.829 -14.465 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 -2.186 0.914 -1.438 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 -26.774 3.059 -4.213 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 22.525 -0.290 0.738 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 2.954 1.089 -7.713 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 -0.171 6.973 -12.727 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 -3.372 3.400 -5.665 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 6.584 -4.769 2.353 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 -3.579 7.293 -5.208 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 6.971 4.205 2.877 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 3.338 4.001 -1.572 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 -11.752 14.788 15.657 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 13.911 -2.700 13.213 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 -5.353 -1.733 -1.449 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 -3.940 -16.177 -8.851 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 3.586 9.299 0.961 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 1.988 -6.026 -0.741 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 -4.431 -16.280 4.370 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 21.680 -10.296 -1.466 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 -1.223 3.880 5.778 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 1.753 -7.838 2.329 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 -3.817 17.924 10.045 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 1.035 -4.392 -2.081 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 4.475 -5.149 -4.933 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 2.583 -12.414 5.881 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 -5.426 -0.434 0.127 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 -8.942 -0.458 -6.906 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 -11.044 3.676 -1.724 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 -4.017 -8.268 2.451 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 -7.596 -9.507 6.582 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 -4.331 -7.941 2.778 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 -1.280 4.621 -6.016 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 6.343 -9.079 -12.151 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 10.563 -11.140 34.745 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 -0.466 2.330 -3.722 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 7.480 12.350 -11.558 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 6.508 5.106 -1.118 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 -0.958 -3.578 3.306 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 -6.640 4.319 6.821 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 -17.052 9.448 4.291 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 -6.902 0.294 -3.260 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 -7.358 -18.653 3.298 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 9.711 13.190 1.787 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 -2.565 2.048 -1.114 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 -1.925 18.427 -11.541 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 -16.352 6.482 -1.159 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 -0.637 -0.959 3.652 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 -1.808 -12.061 -3.314 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 -6.841 -5.621 -7.455 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 -2.659 -0.328 -4.863 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 -25.206 4.970 -11.384 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 3.972 -24.443 -6.669 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 -0.777 6.971 -0.583 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 -13.162 10.722 0.614 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 1.145 8.680 -10.398 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 4.771 -5.330 -1.953 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 11.555 -10.682 -3.677 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 -11.718 -10.446 6.033 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 4.650 7.268 0.687 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 2.216 -8.031 3.082 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 -5.964 -4.568 -13.895 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 5.853 -12.982 1.451 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 1.590 27.095 -21.353 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 10.979 2.931 0.611 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 -1.063 0.728 -0.295 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 8.209 3.616 5.621 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 -4.219 6.539 2.625 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 -7.250 -0.650 4.147 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 -0.071 -0.617 -3.055 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 -5.791 -14.982 -1.042 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 -3.206 8.904 -6.331 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 -4.476 8.894 -11.937 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 -12.345 10.562 -10.755 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 1.381 -4.419 0.501 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 -0.302 -3.876 -8.716 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 5.683 -8.397 -1.855 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 -0.616 2.466 -5.236 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 -8.783 16.351 20.883 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 -7.797 -6.224 -8.696 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 -7.906 -4.294 2.826 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 16.952 -15.316 4.671 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 1.606 -7.017 8.877 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 8.869 3.785 3.730 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 9.256 3.178 5.723 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 15.129 -0.527 1.101 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 -1.815 3.542 -0.894 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 1.812 10.393 -0.881 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 -5.841 -2.907 -1.672 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 -6.565 -2.632 -7.383 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 7.286 4.560 7.543 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 -15.251 -11.038 -8.868 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 -6.881 7.156 -1.446 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 -3.614 9.090 -4.807 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 8.332 4.687 1.658 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 0.605 -7.206 0.473 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 1.005 -11.609 -4.637 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 -4.256 11.001 1.612 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 5.318 1.042 -4.241 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 14.414 -3.628 -0.626 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 23.144 -6.948 -2.134 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 0.626 -3.828 5.253 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 -0.795 -8.077 2.474 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 11.324 14.285 19.403 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 2.124 -2.183 3.280 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 -21.096 -4.432 -4.541 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 -5.432 5.916 10.661 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 -8.051 -3.662 -0.617 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 2.908 9.373 8.818 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 20.996 -4.476 6.470 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 6.978 7.050 1.515 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 5.982 0.028 -7.760 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 8.310 20.135 -3.113 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 0.779 -1.290 -6.850 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 -25.431 18.943 15.183 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 -1.072 11.448 -9.466 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 -1.608 -5.568 -6.896 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 -0.782 -7.343 -23.542 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 -5.645 10.339 -4.142 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 0.876 -3.315 1.089 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 -3.947 -17.257 11.718 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 6.796 -12.157 7.382 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 -4.728 -3.835 -7.818 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 -34.855 21.410 -4.573 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 6.698 -12.607 -14.201 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 -3.785 0.604 5.425 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 -19.366 -9.299 -40.044 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 -9.509 -8.403 20.524 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 -2.799 -1.387 1.847 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 6.501 29.555 7.504 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 -3.285 -4.247 -0.624 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 -4.514 6.226 3.343 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 -10.148 -1.877 7.867 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 15.115 -0.813 -12.017 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 1.140 2.440 5.931 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 -18.170 0.339 -2.012 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 -5.235 -12.081 -1.863 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 2.957 5.644 -2.184 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 1.334 1.707 -23.957 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 -5.359 22.674 2.498 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 -2.122 2.936 0.541 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 8.978 18.320 -3.140 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 -0.122 -12.455 1.394 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 4.132 -2.409 2.568 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 6.877 -3.318 6.841 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 1.987 -0.644 4.609 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 -2.938 0.073 -1.365 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 -5.431 -7.087 17.170 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 0.511 6.046 7.943 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 1.875 -1.318 -4.931 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 -2.004 -10.536 -24.192 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 2.339 9.532 15.404 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 -0.806 2.286 0.221 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 -10.625 18.144 -11.606 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 -16.419 -11.612 8.726 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 7.004 -2.789 3.928 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 -6.692 8.707 -13.233 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 28.480 -3.136 -3.991 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 -2.785 -5.979 -4.524 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 10.689 -13.931 6.564 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 1.292 -16.657 9.670 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 0.026 6.461 -6.844 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 11.844 5.747 35.630 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 -2.704 16.949 4.339 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 13.613 4.617 -2.833 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 5.132 9.773 22.379 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 21.052 14.651 -2.861 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 -5.265 -2.607 5.239 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 -5.852 17.881 -9.940 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 2.062 10.135 -2.417 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 5.282 14.241 -6.485 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 -20.253 26.284 8.499 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 1.777 24.112 15.550 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 5.339 -3.379 4.265 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 10.961 12.433 -0.385 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 0.071 -1.450 28.905 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 -2.044 0.237 -1.364 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 -10.783 -0.010 -4.053 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 32.144 4.881 -8.924 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 5.526 6.784 -4.856 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 3.106 8.657 -15.328 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 8.803 -3.153 -9.003 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 4.769 -0.174 -2.217 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 -8.267 -8.066 -25.604 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 5.338 -12.078 -1.049 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 5.814 -4.698 4.406 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 -8.261 3.357 -1.391 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 -4.960 0.105 -8.061 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 0.333 3.444 6.608 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 -0.737 19.528 7.436 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 -13.329 -0.918 -5.315 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 -0.553 6.803 5.841 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 -0.164 5.803 4.616 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 0.459 4.327 1.051 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 -1.058 1.301 4.147 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 -3.180 14.112 -3.930 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 2.585 -0.417 4.399 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 -0.102 0.583 -7.378 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 15.864 2.444 -5.620 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 0.435 6.649 -15.268 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 1.494 -0.988 -1.111 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 -6.574 12.931 -17.697 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 4.687 -5.461 4.122 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 0.886 -2.251 4.304 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 12.886 0.875 20.247 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 12.130 -22.630 -15.513 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 5.656 -2.524 3.421 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 -2.556 4.041 1.300 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 7.623 -4.978 10.144 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 -0.238 3.463 0.680 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 0.420 25.706 10.531 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 -17.848 6.471 9.694 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 -0.765 -2.184 -1.807 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 0.803 -1.894 -1.404 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 1.021 -3.781 3.055 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 3.051 -1.876 1.604 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 1.580 -4.169 4.310 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 15.238 10.501 -13.502 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 -1.425 4.076 -10.032 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 4.094 27.909 -6.961 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 9.491 -12.392 5.733 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 -4.826 -1.033 1.812 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 -5.297 -0.024 1.266 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 -15.833 6.238 5.867 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 -4.848 6.609 -1.409 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 9.589 -29.493 -12.831 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 6.308 7.083 27.981 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 -0.270 -0.964 -5.318 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 2.975 -4.427 2.983 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 13.449 13.862 -16.319 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 2.688 -0.825 2.287 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 5.866 -2.389 -0.751 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 -21.561 -20.611 -33.404 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 -3.324 3.015 3.145 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 -8.249 3.180 5.928 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 -3.172 7.622 -3.554 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 6.763 -5.394 -0.566 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 2.867 0.753 3.023 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 10.232 -6.814 -1.592 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 2.442 -5.688 -5.133 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 21.113 6.184 4.039 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 4.218 2.203 -6.747 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 5.643 1.361 -6.739 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 34.928 -8.205 -2.226 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 41.057 10.740 -9.529 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 2.647 -0.323 8.537 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 -4.735 -2.119 9.903 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 2.370 0.303 6.392 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 -0.165 1.162 4.072 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 24.013 5.386 7.796 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 -14.560 -5.509 8.852 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 2.442 6.440 -8.604 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 17.184 -11.397 -2.986 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 -9.824 6.977 2.509 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 -0.116 5.385 -5.098 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 6.917 -19.372 11.483 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 0.959 15.244 -8.311 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 -3.026 1.144 0.635 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 21.628 -8.701 3.675 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 -10.203 6.858 1.713 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 -0.532 2.315 2.544 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 -1.210 10.486 -1.835 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 -2.373 0.151 -1.966 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 2.890 0.039 0.427 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 1.212 2.885 7.662 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 9.672 3.092 2.037 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 0.364 -2.837 -2.827 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 12.645 -2.654 -18.507 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 -13.185 -12.588 7.107 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 -6.949 -3.064 2.149 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 -1.185 -21.566 -13.856 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 4.877 2.142 -1.086 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 6.072 3.594 0.204 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 9.285 -4.806 -11.649 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 19.974 1.890 6.498 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 -2.623 1.837 6.567 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 3.745 -14.288 14.366 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 -11.522 -5.738 -3.646 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 -0.301 0.231 0.935 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 15.885 -15.090 12.209 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 -12.254 -7.840 7.589 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 -0.965 -1.375 8.666 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 5.377 0.641 11.724 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 -0.160 -2.967 7.124 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 0.442 1.330 -2.730 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 11.195 -2.250 1.291 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 9.406 -2.930 6.320 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 -8.584 1.260 -3.119 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 -2.627 -22.759 -16.372 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 18.647 16.822 -28.823 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 -2.083 -4.770 1.858 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 -8.010 -6.262 -2.646 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 -3.547 11.228 16.481 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 4.903 1.517 1.469 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 -7.370 29.527 18.977 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 -19.106 -3.753 -6.275 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 -6.884 -0.348 -1.546 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 11.694 -1.352 -9.072 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 -4.420 -11.831 13.165 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 -7.072 1.880 -0.107 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 -1.826 0.481 1.607 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 1.321 0.812 2.721 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 3.213 4.970 -8.079 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 6.747 8.328 -17.794 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 12.427 -15.515 2.673 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 2.691 -0.222 -1.640 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 -5.046 10.292 -4.889 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 10.296 -0.817 7.810 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 2.085 8.676 -7.389 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 2.806 23.641 2.466 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 -20.793 7.356 -7.657 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 5.811 -4.544 -0.257 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 16.579 3.173 7.186 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 -7.769 15.095 28.637 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 -4.311 -5.531 1.977 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 9.175 -14.331 3.894 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 -10.446 -5.907 0.089 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 4.330 1.316 1.943 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 8.643 16.307 7.726 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 4.428 -1.825 -4.612 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 0.073 -4.289 1.698 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 -4.591 -27.337 13.793 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 -9.209 13.212 -11.905 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 -2.322 2.242 1.740 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 17.435 -17.023 -4.905 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 -6.923 -3.276 -4.242 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 -5.560 -2.346 -3.779 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 1.272 -12.533 -11.502 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 -16.744 0.278 -8.819 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 1.154 2.943 5.569 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 9.132 6.541 3.507 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 -4.359 10.047 4.801 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 -2.581 0.477 5.225 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 12.545 -8.719 31.374 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 -3.831 1.192 2.908 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 1.807 -2.193 -2.240 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 1.401 5.309 16.004 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 -6.548 12.762 -8.684 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 1.905 4.816 7.526 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 -10.553 -0.089 -1.918 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 9.717 5.071 -0.864 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 -0.040 2.326 -0.044 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 -1.873 19.346 -20.874 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 1.688 -3.994 20.530 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 1.483 -0.631 -0.180 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 -3.938 -7.442 -7.062 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 15.194 -16.412 -19.796 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 1.689 4.277 -2.446 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 -17.410 -9.286 12.070 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 -4.723 2.182 -10.256 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 1.822 -4.421 0.891 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 8.459 -7.869 3.266 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 -5.342 5.231 9.700 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 3.602 -6.831 -0.789 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 1.988 -6.255 -1.110 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 40.771 -23.080 15.127 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 -3.478 -3.613 -0.670 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 -6.243 1.205 12.058 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 15.447 -0.343 20.809 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 0.435 -0.917 11.555 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 -6.393 17.760 4.278 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 -9.576 -5.719 12.465 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 -4.412 -6.321 -2.065 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 0.501 -9.888 7.800 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 4.847 -6.794 -6.795 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 5.402 -5.239 -2.353 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 14.906 -13.529 8.299 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 8.607 3.948 0.715 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 3.444 5.098 -2.688 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 -3.015 -14.877 13.022 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 3.691 2.774 -0.246 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 4.679 6.423 -3.185 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 8.025 12.713 1.614 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 -8.447 -13.869 -15.784 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 4.530 5.412 -1.089 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 -2.598 -5.785 -7.858 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 4.375 1.651 9.954 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 -1.837 0.407 7.751 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 -8.444 -14.830 12.238 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 -5.878 7.213 0.153 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 -4.647 -0.770 -1.964 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 -4.166 1.668 -10.218 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 -2.867 -4.223 1.346 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 -5.579 1.358 3.142 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 -0.824 9.944 -17.474 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 -12.714 -7.196 22.814 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 6.483 -0.798 -0.557 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 -8.860 -1.846 -13.879 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 10.840 14.260 -4.389 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 -3.923 -7.219 -0.262 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 29.710 -18.764 15.259 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 -21.794 20.659 -27.369 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 2.812 -4.126 -3.299 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 4.694 -5.003 9.488 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 -4.524 5.498 -5.693 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 4.475 4.481 -0.487 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 -15.088 1.035 9.294 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 16.190 15.354 -18.684 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 -2.633 -0.983 -1.382 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 -10.854 -0.289 -0.853 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 -7.407 0.314 -0.690 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 4.802 -5.165 -4.530 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 -24.284 -10.157 -4.502 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 -3.940 20.666 -2.846 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 -4.322 4.207 3.606 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 -1.718 11.072 3.598 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 -6.970 2.631 9.496 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 -0.023 1.853 2.651 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 0.940 0.790 -8.470 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 -6.582 -6.578 4.741 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 -0.620 1.166 4.465 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 10.708 -4.220 -0.610 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 -9.656 10.300 4.574 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 5.482 2.323 1.429 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 6.522 -15.262 2.422 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 -11.338 -12.811 8.880 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 -0.049 -2.528 -3.415 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 -2.264 4.587 -1.719 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 -7.622 -8.307 -3.877 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 1.960 -2.560 4.940 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 -8.293 -9.224 -11.325 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 -9.058 7.826 24.406 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 -6.098 1.935 -3.405 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 -0.812 6.414 -0.107 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 -2.641 2.044 -2.139 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 2.807 4.468 -5.753 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 5.291 4.382 -7.665 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 6.453 -9.469 -6.361 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 -6.277 2.212 -5.532 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 2.125 -16.130 3.197 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 -7.025 22.792 -10.181 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 0.288 1.069 -3.372 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 -32.761 16.567 -16.859 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 13.012 17.597 8.491 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 -1.232 -2.978 -5.237 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 0.530 -1.870 7.018 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 5.469 -4.466 0.225 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 -2.773 -7.073 -0.743 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 -0.305 -11.792 -4.883 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 -4.344 -5.112 9.996 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 4.343 3.628 -4.330 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 -3.836 -0.709 -13.783 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 5.756 15.242 -4.964 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 -3.379 -3.422 4.373 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 -4.305 6.635 11.977 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 -0.959 -15.908 -5.796 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 3.068 -1.221 4.157 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 -11.067 -4.901 -19.688 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 9.330 2.558 -21.507 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 5.209 -0.400 -3.711 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 1.301 -1.469 -19.836 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 4.188 1.244 -4.823 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 -1.094 1.839 -0.896 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 1.193 -1.490 -3.841 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 -14.188 6.114 10.345 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 -2.389 3.843 0.779 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 -1.215 -14.631 13.558 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 -0.988 -2.530 -5.282 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 -1.958 -0.837 -1.754 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 -1.191 -3.561 -8.991 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 0.674 3.371 -12.586 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 0.225 0.243 -0.658 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 -8.311 -3.608 -0.239 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 6.960 -0.867 7.673 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 1.432 -2.550 1.876 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 8.269 -2.852 -2.271 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 -10.415 6.764 10.075 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 -7.499 2.941 5.705 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 -7.740 2.227 8.993 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 -9.980 7.073 -12.838 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 4.615 -3.830 -9.275 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 21.960 29.058 -4.664 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 -9.969 -8.331 3.891 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 -3.020 -6.418 -2.093 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 19.302 -10.661 17.854 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 13.592 -6.304 27.542 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 -2.842 -5.741 -0.825 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 -1.598 -12.413 -10.085 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 5.704 -23.311 -1.244 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 1.814 -5.649 1.644 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 36.152 -10.818 15.621 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 18.495 -2.269 -11.374 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 -2.067 0.759 -0.122 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 -11.554 5.791 -7.246 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 -9.455 -1.750 -8.892 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 5.030 1.046 -0.449 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 0.409 5.548 5.766 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 0.596 2.625 3.067 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 5.036 -2.871 -0.045 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 26.693 9.750 4.537 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 -8.486 -0.962 17.846 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 0.185 -1.684 -2.582 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 -20.005 -30.351 -5.901 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 -2.432 -3.530 -3.338 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 -4.448 -0.860 0.627 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 -2.832 5.295 -11.378 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 -10.261 12.810 11.806 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 -7.571 2.451 3.149 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 -9.599 -22.206 2.365 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 -2.849 6.641 -23.107 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 3.360 -0.015 4.114 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 -32.623 11.461 -12.367 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 24.918 -22.047 -15.902 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 8.604 1.638 -0.610 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 2.408 -12.254 -8.947 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 6.734 -3.199 -3.043 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 -2.515 -0.181 0.726 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 19.476 -12.906 4.998 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 -14.458 -21.421 9.503 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 3.457 4.237 2.911 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 25.092 -0.564 -1.815 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 -3.907 22.733 -9.807 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 0.702 2.550 1.694 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 12.706 -2.137 1.958 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 3.452 9.214 -5.013 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 -1.067 -4.494 6.166 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 -13.321 -5.589 5.996 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 7.536 -12.733 34.872 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 4.762 1.583 0.653 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 -11.103 -0.997 -4.128 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 -4.201 -0.321 -5.752 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 -1.655 5.705 2.724 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 -3.018 4.137 -12.545 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 -15.311 17.219 18.396 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 -4.780 -1.465 -0.148 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 10.815 23.889 -17.445 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 22.914 -1.469 12.194 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 3.073 5.822 -5.726 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 -5.081 1.078 -12.907 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 13.759 13.315 9.575 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 -7.513 3.167 -2.153 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 -6.135 -7.564 -0.360 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 -5.012 1.901 0.982 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 1.279 1.067 7.310 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 -3.309 0.902 21.140 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 0.324 -2.854 2.984 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 -1.903 5.066 2.732 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 3.219 17.585 -9.047 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 -1.870 1.070 -6.588 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 -5.095 -0.166 -3.404 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 -17.012 0.374 21.274 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 -12.400 -5.524 -20.825 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 -1.940 1.926 -0.616 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 16.163 4.859 6.486 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 -5.245 -0.974 -3.217 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 -2.051 1.862 2.889 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 -25.220 1.919 18.321 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 13.854 -17.580 13.749 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 1.043 -0.752 -0.500 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 12.986 -18.519 16.280 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 3.809 -2.332 -11.391 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 6.016 1.875 -0.204 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 -2.896 -0.659 16.538 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 -19.113 1.974 16.343 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 5.724 3.849 2.718 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 -10.492 6.098 -19.286 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 -3.933 4.610 7.339 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 -0.410 7.172 2.645 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 3.412 2.860 3.253 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 -13.230 6.943 10.847 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 -4.794 -3.801 0.912 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 -8.279 0.378 4.407 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 6.864 -10.982 -5.359 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 2.429 1.357 -0.697 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 -21.545 8.232 7.331 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 -19.833 -29.550 3.797 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 -1.629 11.526 -5.400 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 13.231 14.471 7.358 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 -15.547 6.540 2.298 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 4.206 2.873 1.558 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 0.816 -4.195 2.157 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 15.974 3.784 8.108 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 -3.491 4.216 -1.678 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 5.137 5.845 15.940 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 -5.733 1.783 9.360 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 3.637 -3.994 0.056 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 -5.618 1.368 15.955 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 13.514 -19.942 0.170 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 -1.624 -1.911 -2.030 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 -14.663 -6.643 -2.208 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 10.450 5.207 0.601 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 7.145 0.278 3.151 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 0.917 7.514 9.222 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 6.479 -6.713 3.802 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 0.091 -3.191 -1.023 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 1.571 -19.001 -30.230 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 -3.891 -23.416 22.204 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 -4.747 -2.830 4.726 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 1.273 4.360 -10.206 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 -18.094 -9.996 2.705 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 -3.831 2.283 -1.152 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 -14.347 5.404 0.009 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 -3.757 -24.612 -2.730 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 1.035 -3.096 -5.575 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 -15.155 -10.393 -1.113 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 -2.655 21.233 0.803 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 5.686 0.428 -1.341 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 2.771 -17.870 -7.424 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 -0.800 -14.073 4.262 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 -1.118 0.484 5.610 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 -3.799 7.877 5.566 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 8.680 5.804 -11.147 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 -0.471 -3.213 -8.411 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 -40.125 -14.389 -5.987 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 -2.357 17.066 10.009 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 0.458 -2.864 1.983 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 -24.021 -15.788 0.134 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 -16.900 -6.532 -9.571 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 -1.103 6.075 -4.176 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 12.215 7.641 12.860 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 10.832 -2.947 -19.195 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 -5.522 -3.750 -2.116 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 2.498 15.862 -2.093 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 -3.230 2.502 -16.833 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 0.075 1.428 0.611 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 0.224 1.746 1.016 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 3.220 -1.007 -3.329 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 -3.372 -4.816 -4.127 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 -7.275 -9.050 11.840 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 -8.059 -14.902 -6.183 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 3.970 -1.628 -1.527 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 15.850 13.782 16.647 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 17.826 0.174 -22.024 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 1.803 2.117 3.231 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 11.364 2.558 12.372 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 -6.105 0.507 -0.415 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 1.230 0.354 0.053 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 -8.075 9.621 -10.732 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 -9.248 1.580 7.399 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 -4.528 -2.726 -2.462 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 -16.714 11.315 12.221 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 -6.987 -17.366 1.724 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 1.697 -2.356 -2.451 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 1.401 -4.325 -1.002 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 -1.884 8.033 -9.785 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 3.842 -2.630 -1.367 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 4.849 -4.714 7.143 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 -4.185 4.671 -14.184 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 4.189 1.958 3.411 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 3.319 -7.219 -0.132 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 4.472 5.186 7.832 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 -7.302 6.331 -0.624 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 -6.476 5.189 7.910 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 -1.842 11.678 -1.426 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 -1.938 -0.906 2.080 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 10.898 -1.411 -4.097 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 -11.475 4.095 -2.402 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 -8.029 2.860 2.789 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 -10.255 2.576 1.575 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 1.575 3.995 9.166 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 1.946 0.198 6.882 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 -0.763 14.997 13.320 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 0.652 18.204 22.932 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 -2.342 -0.771 -0.912 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 5.252 13.557 -9.470 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 -4.092 -4.920 2.947 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 4.377 -4.323 -5.500 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 -2.613 1.611 8.933 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 -11.911 -11.946 -0.094 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 6.445 1.413 -0.540 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 7.984 6.622 -7.533 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 9.221 3.752 5.953 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 3.470 0.207 -2.299 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 -7.280 -9.508 4.633 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 -31.441 9.526 -5.584 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 3.362 1.598 -2.873 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 1.222 1.418 -20.464 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 12.608 21.335 -5.119 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 0.046 -0.133 -2.594 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 -3.066 -0.429 0.713 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 -0.075 -1.579 -3.906 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 -5.444 0.282 -0.357 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 -7.322 -12.283 4.481 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 -0.648 -18.076 4.096 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 -7.133 -7.216 5.137 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 8.248 2.654 -9.490 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 7.355 -6.967 -10.108 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 5.804 4.528 1.836 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 23.347 19.840 -4.231 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 16.044 -3.268 5.084 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 -0.448 3.811 -3.528 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 18.164 -11.544 -13.617 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 -11.079 -17.073 -17.072 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 0.694 -6.188 -2.504 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 3.182 7.904 10.773 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 -2.603 -24.151 -17.334 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 0.998 1.877 -2.378 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 14.161 10.187 -10.688 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 8.083 8.069 -7.626 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 -1.137 4.198 -1.410 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 -23.305 -17.016 -16.620 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 -5.975 0.756 -33.951 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 -3.670 -1.171 -2.624 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 12.491 -4.776 -12.537 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 -1.437 -11.084 14.849 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 -2.416 -3.943 3.713 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 -1.489 -10.579 2.651 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 0.846 -10.792 -8.862 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 -1.935 -6.103 -0.648 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 -1.335 -18.085 7.286 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 3.348 -10.627 -10.847 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 0.464 -5.681 4.200 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 -0.283 -16.561 9.858 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 -11.718 -3.824 0.553 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 -1.062 1.472 -7.659 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 -2.694 -4.955 2.000 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 10.158 4.892 -7.724 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 3.963 2.051 1.245 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 15.269 13.750 -7.865 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 4.949 -8.958 -1.530 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 2.057 0.029 0.844 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 -3.168 1.714 -12.166 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 12.743 -0.382 -19.286 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 1.655 5.506 -0.056 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 -1.929 10.776 4.086 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 3.732 11.088 8.168 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 -4.451 0.418 6.592 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 13.502 -19.525 12.875 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 -30.900 -12.601 17.715 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 -5.583 -4.130 -4.815 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 5.573 9.231 2.250 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 13.580 14.741 8.295 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 0.512 2.094 -5.859 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 6.552 -0.592 13.209 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 -2.851 10.588 -10.590 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 0.626 -2.037 -3.430 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 13.310 -28.414 -12.586 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 -3.690 -13.192 15.468 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 -1.901 -0.823 -0.893 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 8.926 -6.749 33.691 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -12.817 0.652 -2.281 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 1.170 -5.141 -0.765 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 4.188 -8.385 -2.958 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 -1.381 -4.210 -1.025 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 -0.926 1.329 -0.712 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 5.738 -11.478 12.279 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 -10.070 25.122 -17.355 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 0.131 -1.443 1.934 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 -3.250 -9.279 -3.528 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 20.951 -5.317 7.181 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 5.442 -2.400 0.892 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 2.745 -12.724 21.078 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 26.495 -6.227 6.048 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 -2.913 -4.240 1.075 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 -0.886 -8.214 -5.773 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 14.312 11.605 7.962 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 -5.508 3.520 -7.794 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 -21.784 0.874 -10.048 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 -10.477 -20.702 -5.494 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 2.622 -3.945 3.412 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 10.243 12.530 13.234 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 -20.318 4.227 7.280 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 0.406 2.427 2.202 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 16.797 -0.589 1.709 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 15.958 4.841 -11.958 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 5.777 1.964 -1.947 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 -11.985 -20.734 1.414 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 9.027 3.805 -10.831 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 2.341 3.052 -1.915 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 -5.336 0.025 -16.337 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 -11.065 -2.744 -27.313 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 3.240 0.452 -0.816 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 3.811 1.736 1.892 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 -6.959 29.345 0.000 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 0.264 5.292 2.864 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 -2.660 -8.044 4.461 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 3.983 7.790 3.936 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 -6.300 -0.967 3.046 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 7.429 7.566 -18.116 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 -22.200 -8.741 -19.888 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 -0.834 -5.664 4.481 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 13.997 -7.882 9.008 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 -18.328 2.357 -10.281 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 -3.770 -3.582 0.793 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 7.888 3.798 7.150 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 4.230 -11.943 -20.697 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 2.953 -5.198 3.548 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 11.811 -11.130 -14.693 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 -4.104 29.900 -8.218 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 -0.637 2.345 -1.199 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 -2.842 5.184 4.782 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 5.116 2.074 -1.698 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 -1.588 0.432 -0.860 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 -4.295 6.873 1.452 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 -4.342 -4.362 4.742 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 1.829 2.451 2.919 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 -5.994 7.589 -15.070 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 -4.024 25.748 -22.055 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 -2.176 -1.631 3.711 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 3.373 -12.094 -18.532 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 -14.518 3.769 7.223 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 -1.384 5.481 -4.091 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 5.089 -7.433 -10.980 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 -13.516 -5.443 7.350 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 -0.940 9.491 -9.786 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 1.980 -2.928 12.255 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 -1.796 -33.470 -4.907 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 0.312 0.182 -0.205 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 9.457 21.841 2.605 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 -19.864 6.497 -11.403 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 0.414 -2.818 -2.379 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 17.505 -10.121 -8.888 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 14.100 -6.909 -1.432 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 0.039 0.469 1.170 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 17.138 -29.695 -11.305 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 -5.743 10.237 4.581 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 5.393 -1.415 3.337 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 5.624 14.084 -9.514 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 10.192 -13.096 -10.670 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 -3.533 -4.392 0.546 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 -19.854 -6.919 -10.470 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 -6.606 11.067 1.800 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 -4.431 6.798 0.632 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 -16.468 -20.014 -12.743 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 11.254 -6.764 7.896 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 1.582 -3.417 -1.477 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 -16.442 -15.753 -13.725 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 5.989 19.577 15.833 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 -2.720 3.511 0.112 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 -5.311 -1.616 7.562 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 8.011 -27.085 4.329 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 1.418 -0.701 5.858 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 -15.114 15.036 -3.631 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 -4.254 5.028 -4.169 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 0.795 1.496 1.513 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 -2.696 -0.344 -4.189 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 -20.230 -13.149 15.404 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 3.732 -4.218 6.180 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 -10.637 -6.016 -19.891 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 1.370 3.599 9.936 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 -2.939 -5.709 4.865 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 27.310 1.913 -5.918 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 -14.685 5.975 -4.874 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 5.309 -4.676 -2.401 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 5.085 7.150 20.163 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 -19.893 9.512 17.462 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 8.450 -2.145 -0.085 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 10.749 -23.624 -2.241 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 -1.808 -4.865 -5.750 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 -4.477 -1.464 9.545 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 16.154 0.947 -19.287 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 -12.894 -4.488 17.703 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 -0.069 7.429 -2.447 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 7.421 14.369 11.140 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 -1.080 4.570 -4.476 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 3.570 -3.930 -4.587 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 11.338 -15.972 -14.530 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 2.774 -0.553 -0.473 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 -4.205 1.222 -4.360 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 1.337 10.372 -6.611 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 -1.409 -2.759 -6.397 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 1.987 -0.611 -0.962 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 -13.353 7.804 5.505 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 7.032 -16.896 -12.434 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 1.209 1.408 -2.046 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 10.941 2.857 15.463 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 4.659 10.104 -17.495 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 2.683 -0.142 -6.996 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 -0.107 8.284 -9.583 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 -10.703 -0.482 -7.708 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 1.452 2.313 -12.324 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 -3.024 -12.948 -38.193 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 -13.455 -2.396 1.676 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 1.252 -0.739 4.501 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 18.860 -12.464 4.291 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 -5.717 1.255 -1.532 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 2.839 -2.524 -0.826 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 6.311 9.958 -7.478 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 7.396 12.468 -9.154 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 4.010 -4.872 -4.490 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 -4.173 2.121 1.856 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 14.108 -8.271 -19.677 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 6.275 -2.173 -0.152 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 13.363 24.379 5.982 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 4.550 0.504 -31.249 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 1.173 -1.695 -0.003 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 -30.994 -10.095 -7.204 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 3.398 -2.690 24.217 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 -1.008 -0.352 0.439 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 -5.070 -0.742 -1.439 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 8.008 1.749 11.742 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 1.924 0.193 -9.631 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 -1.309 -19.478 10.048 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 5.026 19.810 -9.286 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 -7.039 -0.296 -0.523 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 7.715 -1.255 -22.616 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 7.241 -2.608 -14.613 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 -4.122 0.219 1.262 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 -14.554 13.760 0.397 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 1.248 -0.877 15.369 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 -4.322 -2.606 -2.842 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 5.734 -4.393 -0.418 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 -0.055 -5.185 6.975 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 -0.421 1.455 -0.862 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 11.971 -5.173 1.645 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 12.146 0.489 -12.426 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 1.500 1.140 -0.821 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 -12.287 13.540 0.467 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 -19.842 3.643 11.117 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 -0.926 -1.483 2.776 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 1.645 -16.831 2.603 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 9.810 5.825 3.850 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 -4.910 -1.332 -2.828 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 13.942 0.234 -3.539 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 -12.155 1.905 14.413 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 -6.049 0.012 1.528 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 -10.347 -22.553 -2.802 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 7.074 -8.116 9.487 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 1.698 3.824 -4.435 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 3.168 10.218 12.533 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 11.425 3.033 -1.971 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 1.174 -1.689 -6.742 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 8.270 -4.085 -2.889 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 -0.260 -10.579 -0.580 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 4.935 6.803 -1.129 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 4.856 6.837 -1.830 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 1.172 -1.225 1.414 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 -3.317 -4.880 -5.988 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 2.214 39.691 -7.858 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 5.333 -2.109 0.398 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 2.346 -1.136 -4.490 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 -10.082 5.030 -20.494 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 18.831 -4.840 2.785 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 -3.685 -3.029 -1.516 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 -12.289 -6.762 -1.759 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 -5.211 -25.716 -29.865 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 -10.848 9.240 3.296 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 -6.096 -10.151 -5.597 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 -5.485 -4.611 -10.688 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 3.925 1.985 -0.204 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 -3.634 -4.622 19.650 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 5.514 -8.072 -10.111 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 -3.599 -6.552 -3.686 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 9.246 7.903 -3.992 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 -23.531 6.547 -6.076 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 6.548 -0.282 4.083 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 -7.596 -4.506 5.711 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 13.353 -4.843 9.994 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 3.170 -1.302 8.119 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 16.226 6.740 9.494 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 -2.103 -0.395 5.614 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 5.109 -6.593 -4.473 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 12.713 -0.531 -7.772 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 7.574 -7.933 -6.414 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 -3.920 3.874 -5.951 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 38.488 4.222 21.986 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 2.772 3.435 -0.439 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 -3.501 -5.624 -2.123 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 -11.039 7.351 -1.534 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 14.372 5.147 -15.672 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 -1.311 2.286 3.777 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 9.340 -4.747 -10.181 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 3.531 -1.066 -1.056 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 -0.825 1.900 -3.952 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 7.678 -11.684 -9.111 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 13.455 -4.375 -2.000 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 -0.599 2.098 0.915 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 -5.067 9.255 -4.394 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 1.683 9.976 10.908 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 4.634 -0.914 -0.028 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 2.636 1.121 4.159 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 -0.368 3.770 -0.046 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 -0.186 -1.131 0.942 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 0.519 5.083 -3.786 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 -2.666 -9.629 13.121 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 2.466 2.058 -2.165 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 -8.668 18.233 -12.536 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 -11.769 -12.845 -4.776 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 3.007 -3.378 -7.215 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 9.604 -8.556 -16.123 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 3.555 2.371 -3.795 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 2.253 0.792 -5.394 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 1.027 7.852 -20.523 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 4.003 -5.883 16.045 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 -5.301 -0.218 2.517 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 -12.353 17.678 -11.799 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 14.722 -7.541 -7.561 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 5.734 -0.559 -4.522 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 4.428 -1.971 -23.689 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 7.749 -4.296 -24.831 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 8.146 -1.655 -0.651 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 17.953 3.544 -1.577 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 0.289 -22.150 -8.213 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 2.461 2.021 -4.588 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 -1.183 3.179 -5.145 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 8.842 0.049 -15.472 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 1.097 -2.268 -4.170 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 -0.738 -0.857 0.287 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 -4.899 5.188 9.273 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 -4.102 1.666 2.197 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 0.209 -10.488 -5.985 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 -4.046 14.310 9.614 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 9.261 4.896 -1.225 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 -0.179 8.375 34.180 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 18.475 -0.894 4.584 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 -4.334 9.509 3.159 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 -2.893 11.269 3.390 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 -15.881 -7.468 -12.077 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 -4.214 6.365 -3.862 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 -9.030 16.061 -17.306 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 -3.190 2.696 -0.604 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 1.692 2.561 -0.403 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 5.289 4.178 -2.744 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 3.937 1.720 -2.711 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 1.665 -6.030 2.084 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 17.264 7.587 12.463 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 -20.453 -33.064 4.295 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 -11.460 4.547 -0.377 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 13.244 41.520 -3.450 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 -3.880 16.875 -19.815 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 -0.992 -6.908 -5.725 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 -11.746 -3.480 -14.468 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 -6.319 -4.384 6.986 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 3.274 0.336 4.034 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 -3.339 -3.818 17.720 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 20.625 -3.645 8.915 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 0.509 -0.111 -1.830 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 6.960 19.343 -2.393 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 -11.589 -3.062 7.256 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 0.905 -3.486 0.302 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 -2.824 3.030 7.429 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 -2.216 -19.839 17.963 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 3.143 4.060 0.112 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 -11.219 9.425 2.170 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 10.543 -11.386 4.370 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 7.535 -1.319 3.266 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 0.983 -3.604 10.648 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 -6.658 -3.224 1.026 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 -6.698 0.218 2.073 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 -5.013 12.462 0.714 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 -4.178 -8.574 20.072 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 4.254 0.654 -0.045 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 12.400 0.064 -0.249 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 15.371 8.124 9.213 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 1.203 5.352 -8.666 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 4.541 -15.741 -13.223 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 -0.363 24.033 -18.921 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 -7.294 3.132 1.582 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 11.842 8.567 19.883 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 5.946 8.158 11.018 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 -0.001 -0.237 -1.466 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 -5.039 19.062 -10.410 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 1.581 -5.192 0.973 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 -7.790 -1.187 3.082 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 -21.717 -16.147 11.899 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 22.842 15.927 -3.958 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 -2.605 1.337 -6.144 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 -18.483 10.534 -20.139 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 -8.835 2.229 16.894 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 1.162 1.484 -0.433 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 7.653 1.716 -4.758 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 0.474 2.475 1.608 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 2.837 4.127 0.506 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 -10.489 3.095 2.546 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 0.638 -5.240 -0.193 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 -6.454 -9.505 -1.765 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 -21.140 -1.905 -0.423 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 4.522 -14.094 -11.821 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 -1.354 -4.960 2.431 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 -1.519 -8.934 2.143 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 0.811 5.111 4.819 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 -2.315 -0.265 1.368 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 -10.083 -10.891 5.495 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 -3.754 13.513 -4.872 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 -7.896 -4.312 -7.772 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 22.388 -10.264 12.035 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 -16.213 24.458 -20.083 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 -1.673 -5.389 -4.893 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 -4.312 -14.764 -12.313 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 -9.048 -25.749 15.943 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 3.397 -3.668 4.552 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 6.107 2.912 5.961 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 5.596 -1.929 0.883 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 9.118 -0.483 5.954 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 0.044 0.713 9.251 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 22.809 -2.835 10.887 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 -3.817 1.464 6.807 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 -16.219 -5.583 -31.366 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 -10.604 -4.763 -10.754 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 2.731 10.173 -10.896 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 -8.876 -0.954 17.388 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 12.962 25.917 -3.444 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -2.100 0.482 1.421 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 -2.055 8.516 -9.128 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 1.962 -0.491 9.418 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 1.260 -4.972 7.418 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 13.416 6.926 7.850 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 0.250 0.061 -5.426 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 1.124 1.287 8.472 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 13.708 12.875 -3.290 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 -4.704 -23.768 -11.392 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 0.918 4.178 4.755 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 1.058 10.075 7.096 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 0.712 0.786 -0.064 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 0.625 -0.219 -1.823 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 6.530 4.228 8.381 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 -0.364 -3.587 5.697 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 -1.925 -4.723 -0.619 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 -6.364 -10.902 -0.344 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 -2.865 -0.708 -7.479 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 -3.314 -6.224 -0.971 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 1.588 -26.064 -15.753 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 13.428 2.592 5.101 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 -10.059 -1.653 3.674 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 -9.896 -6.399 8.845 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 2.939 1.593 2.633 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 -3.695 2.704 0.873 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 6.331 13.641 3.006 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 -3.716 -0.378 -1.921 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 0.882 -1.658 -0.168 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 15.111 -0.387 14.916 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 4.098 -10.709 -3.279 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 -0.713 0.744 0.224 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 -8.446 -6.917 -13.882 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 -5.106 -8.354 14.093 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 1.238 0.619 -2.551 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 -5.985 -24.706 -3.568 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 -5.591 -21.044 1.284 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 2.568 -0.484 6.891 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 -5.330 0.952 5.890 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 -22.910 3.345 1.844 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 -0.397 4.787 -5.358 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 21.506 8.492 3.498 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 14.269 -14.158 4.687 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 -5.485 3.478 2.336 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 -2.986 -34.858 -3.274 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 -7.353 2.908 -2.297 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 3.047 -0.836 -0.142 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 5.082 11.246 4.787 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 -12.729 9.498 7.972 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 1.202 -3.698 0.700 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 9.196 -10.363 -11.321 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 1.527 6.482 10.182 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 4.466 0.988 4.968 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 -1.271 2.435 7.589 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 8.901 5.012 2.172 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 4.858 7.526 3.604 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 -2.433 -18.920 23.671 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 -3.700 -2.840 2.900 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 3.002 0.293 0.376 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 -8.892 -21.110 20.356 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 12.877 14.586 -3.742 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 1.131 -0.338 -0.483 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 -9.411 0.172 7.688 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 18.041 -15.375 -1.986 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 -1.046 0.507 -3.663 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 -12.936 21.046 -6.988 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 7.704 7.392 -16.987 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 3.685 0.253 -2.406 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 -13.602 9.083 6.292 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 -0.078 -8.590 -6.431 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 -5.341 -1.687 -1.567 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 0.580 -1.362 15.351 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 3.515 12.377 -10.994 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 -5.695 0.254 5.207 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 -2.670 5.563 -6.564 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 -1.524 6.418 14.783 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 3.245 4.784 -3.226 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 -8.044 2.553 7.799 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 5.844 4.806 -8.412 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 2.476 -0.862 0.398 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 -13.743 -1.186 -9.922 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 -18.080 -9.993 -8.120 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 -2.830 -0.901 0.498 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 17.340 3.755 8.711 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 -8.311 9.882 -2.342 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 1.768 -6.462 -0.439 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 6.978 -0.931 -11.012 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 6.998 -0.836 16.053 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 4.221 1.885 1.541 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 9.225 -26.898 12.891 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 11.648 1.173 0.762 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 -0.555 -4.483 -4.819 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 6.667 -6.388 -13.596 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 16.797 2.797 6.545 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 0.527 -6.834 -5.264 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 9.532 3.356 -0.050 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 -22.587 -9.993 -2.244 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 4.306 -0.517 -0.113 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 13.143 3.967 -1.579 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 -7.160 5.831 -12.252 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 4.258 1.473 0.613 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 -10.200 8.684 -15.477 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 3.546 29.691 20.260 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 4.474 2.082 -6.327 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 6.012 11.719 -14.942 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 4.352 7.413 5.684 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 4.175 -0.859 0.724 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 -0.596 -5.288 8.181 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 5.141 -3.477 7.739 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 -0.834 -2.927 -2.191 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 -3.846 7.038 -16.788 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 0.887 -20.135 10.210 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 4.673 4.168 -1.710 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 9.452 2.434 -1.161 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 6.398 14.247 12.604 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 0.914 0.813 7.723 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 -1.348 12.423 16.536 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 -10.677 -7.335 10.608 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 -4.368 0.898 3.710 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 -4.021 18.439 23.126 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 -2.613 -14.546 -13.129 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 -0.503 -4.558 0.641 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 8.906 10.306 -1.810 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 -5.852 -6.186 6.138 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 -4.028 -1.560 -2.809 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 0.704 6.678 10.662 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 -16.036 18.116 22.237 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 4.078 -1.745 5.536 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 -9.943 -6.694 -2.765 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 13.960 10.132 10.290 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 0.265 -2.552 -3.597 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 10.176 7.012 0.024 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 2.059 -8.490 -14.386 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 1.827 -2.853 1.750 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 -1.593 -2.962 4.897 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 23.888 5.771 -3.584 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 7.302 -6.997 1.661 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 -1.209 -30.833 -0.161 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 -4.035 1.088 -6.997 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 -2.376 -3.019 -9.521 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 -8.067 -10.113 -6.142 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 -13.792 7.956 -12.944 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 -2.866 2.676 4.099 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 -9.705 7.671 0.904 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 6.172 -6.494 1.385 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 0.094 -1.767 3.696 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 13.988 -42.914 24.498 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 2.804 5.071 11.695 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 6.913 0.936 -1.829 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 18.936 6.358 5.292 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 27.839 -23.867 -14.034 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 -3.516 -2.032 2.660 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 -7.412 17.547 -8.877 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 -14.790 -16.510 -7.686 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 3.085 -0.566 4.315 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 1.297 0.791 2.674 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 4.600 -3.869 3.555 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 -0.958 1.518 -1.670 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 -4.886 -10.576 -1.049 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 -12.410 10.180 -12.957 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 1.175 3.161 -2.598 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 1.313 -25.324 -14.914 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 33.086 0.387 5.379 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 -3.281 6.857 2.297 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 -3.963 5.752 4.563 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 1.783 -1.792 -11.190 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 2.237 1.842 1.237 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 15.120 0.144 0.379 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 -7.104 1.673 3.672 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 -3.592 -10.369 -1.567 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 -26.290 12.464 -15.258 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 -13.142 -14.230 2.093 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 1.927 -1.515 4.598 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 4.245 -9.786 -0.518 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 6.921 -18.274 -1.077 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 -5.751 -7.712 -3.026 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 -3.089 -8.423 -6.426 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 -3.514 -10.405 -8.426 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 -0.684 -5.898 -2.985 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 -4.784 -12.050 -6.140 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 -1.932 -23.129 -10.792 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 0.985 5.032 -3.637 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 5.489 17.014 -18.144 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 -4.946 5.861 -2.661 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 -3.335 2.149 -0.546 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 33.022 -24.968 0.559 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 -7.781 -25.957 -7.879 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 -0.799 -0.274 0.049 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 4.462 10.908 -14.143 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 -2.855 -1.977 -0.758 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 -5.119 0.009 -3.339 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 -2.767 8.682 13.227 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 2.217 2.127 -17.180 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 -7.968 -2.731 4.164 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 21.110 -14.064 5.636 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 -14.440 -7.825 6.001 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 3.797 -4.830 2.726 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 18.032 -11.591 2.556 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 8.158 1.880 -14.051 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 4.585 -3.311 -5.789 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 -0.921 -1.324 2.582 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 4.008 -3.106 -3.581 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 -4.864 -2.804 4.128 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 -6.625 -5.003 4.000 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 -1.359 -6.804 10.339 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 -3.672 -4.536 2.218 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 -7.246 29.656 -12.849 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 19.478 9.550 -23.000 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 1.655 -2.895 1.388 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 -24.538 3.156 -20.274 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 8.967 4.231 -11.872 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 4.517 7.235 1.969 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 6.038 -7.085 -0.676 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 9.059 10.808 -9.204 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 2.621 -4.710 4.375 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 -6.179 -7.442 -8.434 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 -2.696 8.569 9.062 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 -0.181 6.489 9.425 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 -1.436 13.388 5.296 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 5.850 -2.132 -5.953 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 -0.157 5.324 -5.542 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 -4.038 -1.594 10.018 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 1.966 15.220 -14.662 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 -0.694 1.400 -5.709 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 7.969 -10.791 -4.015 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 12.931 -2.531 6.180 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 -0.276 -0.062 5.822 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 4.461 -11.473 13.676 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 -8.080 -9.008 -5.681 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 -5.279 2.748 -1.709 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 0.160 -4.441 18.501 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 -0.827 -3.350 6.014 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 3.485 5.901 -1.593 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 2.446 -3.077 3.741 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 8.163 -2.817 -5.178 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 8.056 0.779 2.703 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 15.565 1.421 -5.453 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 1.278 -1.175 7.926 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 -1.637 -1.892 3.696 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 1.406 -19.223 6.988 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 -21.022 14.110 3.573 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 -4.690 3.257 0.113 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 -5.622 -5.089 -8.891 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 -0.105 -2.323 -0.122 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 -2.352 -3.029 0.952 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 -6.739 -31.883 1.525 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 6.675 -5.412 -3.586 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 -0.435 1.115 -3.225 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 -1.414 3.590 -7.949 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 -0.270 -1.356 3.519 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 8.719 0.421 -5.349 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 10.061 -13.424 7.393 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 -9.063 -0.349 -10.819 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 -1.696 4.644 0.375 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 11.206 15.061 28.221 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 -1.101 4.474 -0.377 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 1.693 -0.908 -1.998 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 -19.346 27.050 4.281 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 -7.082 -7.403 -2.602 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 -1.266 0.537 6.832 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 -3.739 -7.730 1.292 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 16.000 22.065 1.895 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 4.017 -7.070 -8.849 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 4.407 7.159 -5.674 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 15.420 -11.234 3.425 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 -5.407 -2.505 0.816 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 -3.678 17.056 8.766 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 1.618 -16.138 -1.789 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 3.050 -3.099 -0.517 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 -0.302 5.881 9.713 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 17.618 -3.778 12.785 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 -7.633 0.542 1.070 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 3.559 17.831 8.811 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 -15.692 -3.235 -13.165 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 -1.183 -0.117 7.872 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 -7.764 3.817 -3.212 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 2.321 10.338 9.335 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 0.138 -3.765 -9.570 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 22.104 -5.160 0.821 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 1.140 -13.713 5.281 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 1.142 -1.488 0.002 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 1.065 -6.062 -1.544 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 -3.907 6.557 -1.805 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 5.961 -1.358 -1.307 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 12.853 1.607 7.144 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 7.434 -13.808 -12.066 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 -2.403 -1.941 4.534 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 -21.590 2.524 -7.116 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 10.372 18.718 -14.599 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 -6.428 -1.356 -0.061 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 7.157 3.054 -5.415 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 -11.230 10.826 5.323 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 -2.654 -1.308 1.439 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 15.971 -16.005 18.251 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 -16.650 7.232 12.770 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 -5.233 4.910 0.950 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 -9.620 -1.200 0.860 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 11.341 4.211 -16.826 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 1.929 -0.981 -4.403 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 4.688 -5.339 -31.025 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 -7.915 26.774 0.900 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 2.760 5.165 5.123 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 2.067 -0.667 9.882 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 -13.322 21.466 16.658 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 -3.745 2.877 0.838 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 -9.605 -7.224 -7.232 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 4.799 0.288 7.511 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 -4.396 -3.890 1.999 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 -7.237 -24.169 -6.325 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 -2.896 14.111 -2.603 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 2.882 -3.604 2.671 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 19.701 0.305 13.335 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 -5.190 -3.549 -2.195 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 -2.692 -4.797 5.179 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 4.305 4.456 6.349 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 -12.185 -12.983 1.091 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 0.001 4.346 1.994 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 16.157 -10.691 13.225 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 -4.662 -3.377 33.490 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 -1.289 -2.841 0.524 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 5.927 -3.939 -1.441 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 -0.985 -5.795 2.334 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 -1.845 0.327 0.955 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 0.599 -0.498 -24.591 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 10.519 32.705 6.797 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 -4.320 0.609 -1.249 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 -6.497 -0.298 -3.771 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 -0.709 2.172 -2.004 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 0.361 -2.490 -0.942 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 9.569 -6.571 2.898 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 -23.869 -4.867 3.919 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 0.982 -4.762 1.629 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 3.375 10.036 -17.775 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 6.231 -17.328 3.683 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 1.403 1.171 2.094 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 -2.176 17.225 7.024 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 12.240 -4.159 11.331 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 1.117 5.303 1.847 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 -0.349 -2.457 -21.654 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 -7.588 -2.123 -9.044 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 4.014 -0.878 2.907 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 -12.700 12.716 8.937 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 0.715 7.239 -8.205 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 -0.302 0.524 -1.141 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 -0.827 4.106 -0.729 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 -3.815 -4.141 -3.163 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 -0.617 5.776 5.568 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 11.209 10.246 1.507 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 18.259 -2.292 13.648 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 -3.451 -1.441 -3.206 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 -3.220 11.266 -18.040 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 -0.763 12.567 14.035 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 0.064 -0.018 3.092 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 3.261 26.361 -0.889 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 -2.500 -13.483 5.230 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 -3.565 -0.489 4.320 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 -12.321 -15.313 -0.551 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 -19.518 4.691 2.369 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 -6.263 0.616 7.902 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 -1.985 3.112 8.356 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 -6.623 -0.933 2.598 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 -1.073 -1.740 1.287 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 8.902 -8.735 -15.544 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 -5.960 -17.050 -6.189 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 1.115 -3.257 -8.412 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 7.732 -3.342 6.071 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 -8.439 18.203 -26.969 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 -8.085 -0.773 -0.159 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 -10.699 7.569 -5.479 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 -6.627 -8.325 -0.084 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 3.660 2.789 -4.592 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 9.582 4.809 -0.834 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 1.375 3.290 1.316 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 -0.803 -1.721 2.320 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 26.893 16.015 10.825 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 -0.120 10.912 -5.374 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 1.772 0.728 -7.684 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 -7.224 -10.465 -2.341 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 6.583 4.591 -8.703 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 -4.173 -0.171 -0.035 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 1.587 -12.670 5.363 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 -12.333 -4.823 21.749 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 -2.824 -0.406 3.773 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 2.998 -4.265 2.188 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 -0.794 -4.278 1.885 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 -2.896 1.293 8.958 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 15.889 11.240 20.811 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 -11.803 -1.590 4.158 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 -4.426 2.405 -0.404 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 -27.497 -8.328 14.944 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 -6.338 33.256 -2.912 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 -2.661 6.504 2.064 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 -4.822 2.771 -2.319 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 12.835 0.777 -6.333 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 2.287 2.887 -1.517 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 -12.176 -11.523 -7.745 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 9.270 -4.174 -0.741 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 3.605 -0.433 0.246 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 -33.827 -14.191 -0.737 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 8.608 10.389 11.442 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 8.512 1.393 -2.705 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 22.282 -4.330 7.833 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 8.242 -2.581 -20.870 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 4.554 -7.557 2.574 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 -7.629 -14.925 3.603 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 -10.932 3.093 6.588 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 -0.404 -3.954 -5.577 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 1.352 -9.553 -1.757 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 0.326 -1.599 -22.423 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 2.745 0.074 5.209 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 4.893 10.556 9.170 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 13.823 35.308 -2.245 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 1.386 -0.112 1.424 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 4.119 -19.347 -7.183 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 -6.139 7.578 4.399 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 -2.867 4.473 -8.895 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 6.961 -14.490 -3.412 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 5.410 -24.925 -10.280 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 -3.017 -11.355 -0.248 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 16.823 -4.704 22.764 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 8.087 -1.756 -11.085 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 -4.130 0.146 6.777 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 -2.786 25.789 -9.403 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 -4.118 -14.121 20.174 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 1.437 1.668 3.587 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 4.348 0.570 -0.416 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 -1.676 5.602 9.099 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 3.327 6.188 5.663 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 8.566 13.604 16.049 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 4.327 -13.888 6.617 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 -0.135 -1.979 -4.777 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 -21.375 -8.558 -2.507 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 32.438 -16.832 -6.120 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 0.546 -2.652 2.334 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 10.204 -4.180 18.150 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 -9.136 9.145 -0.012 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 -7.674 -2.222 -4.548 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 17.511 -17.490 5.576 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 -36.387 -1.319 21.074 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 -7.832 0.790 10.019 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 -14.006 -13.779 25.273 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 -9.600 -12.571 2.791 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 -0.468 -4.317 0.060 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 -12.115 -6.433 16.782 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 4.594 -5.497 -8.807 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 5.170 -5.983 -0.633 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 -1.135 7.981 -14.571 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 29.193 -7.057 -4.950 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 7.375 4.393 -3.900 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 12.067 6.536 -0.823 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 1.649 -10.460 -22.557 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 0.170 2.338 3.776 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 -3.439 10.124 -9.773 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 11.946 -5.784 -25.829 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 -5.725 2.745 -4.281 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 -14.806 5.029 -1.589 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 -6.825 9.922 -21.120 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 -3.190 5.214 -7.274 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 -11.449 -1.450 -7.675 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 8.656 27.367 11.595 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 -3.085 -1.705 5.442 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 -10.472 5.047 -20.782 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 -9.009 3.554 -7.436 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 5.246 -8.070 -3.512 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 0.354 -0.492 -8.028 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 5.000 -11.789 -10.861 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 -4.653 -0.213 2.752 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 -20.188 13.397 -2.590 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 3.583 -20.815 -3.411 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 -0.051 3.034 3.590 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 15.010 6.807 -15.653 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 7.986 -0.249 -0.025 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 -2.633 4.143 -5.783 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 0.568 -23.784 -12.759 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 -18.193 7.959 -27.551 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 -4.169 0.928 2.131 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 0.350 19.506 8.996 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 -20.212 -35.313 -0.665 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 4.287 -2.473 1.317 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 0.610 -2.629 5.230 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 -8.425 -16.155 4.831 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 0.140 -4.565 4.951 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 -1.439 3.678 -6.360 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 -13.909 -26.629 8.343 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 -1.811 0.653 0.073 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 -1.574 -11.511 5.346 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 9.477 5.016 6.414 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 -7.342 1.405 3.179 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 7.178 5.505 4.558 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 -6.920 -9.540 -7.614 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 -0.590 4.853 -1.478 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 1.858 11.209 -9.238 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 39.481 9.933 18.582 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 -5.341 -9.861 3.034 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 -0.297 5.707 -22.838 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 8.827 -10.510 1.339 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 -5.186 -4.880 1.639 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 -2.690 -18.008 2.229 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 -3.100 -28.301 -3.545 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 -1.854 -0.734 4.966 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 -13.827 14.512 1.037 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 1.941 -8.842 10.002 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 5.779 2.448 -2.910 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 2.029 2.726 1.059 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 20.140 10.783 2.154 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 1.415 5.092 1.719 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 -3.113 16.304 5.004 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 9.050 -21.823 9.389 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 -2.650 -4.373 1.214 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 24.915 -3.456 18.718 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 2.429 -0.183 1.231 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 -3.365 9.655 0.107 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 8.791 -4.754 12.204 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 -1.385 21.387 -6.762 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 -4.319 4.104 -1.639 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 14.464 -0.380 5.073 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 2.434 7.889 26.830 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 1.412 1.618 -3.891 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 -0.199 -0.226 -10.733 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 -8.805 -7.185 -6.241 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 1.682 -1.079 2.754 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 10.728 2.998 5.510 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 3.038 -0.286 -7.941 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 -1.987 -4.552 -1.882 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 -3.263 -0.106 -1.319 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 -3.859 3.271 -1.158 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 0.881 1.920 -0.904 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 11.328 -20.376 -0.011 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 3.999 -5.157 -0.528 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 2.017 -3.660 0.068 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 9.175 -17.576 21.821 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 -9.584 -9.304 -18.214 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 7.240 -4.642 -1.951 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 10.736 -4.654 -3.468 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 16.528 -4.553 -8.473 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 1.829 -7.283 5.042 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 18.705 -16.554 -6.379 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 -1.168 -5.786 6.757 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 -1.450 0.066 5.340 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 -6.832 0.937 -5.729 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 -11.759 0.913 -7.013 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 -2.491 2.081 -1.328 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 -3.440 10.762 2.067 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 6.193 6.410 -2.144 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 -3.388 0.187 2.001 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 -17.208 4.901 1.261 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 -13.970 13.095 -6.655 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 2.652 1.869 2.191 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 -11.083 -9.403 -13.781 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 -1.298 -1.672 -0.921 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 4.001 -0.261 0.728 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 6.566 -7.558 -0.583 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 7.613 11.867 10.591 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 -4.267 -2.194 -4.660 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 -11.310 -20.113 0.910 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 -11.119 -19.883 3.158 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 -2.458 0.769 2.916 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 8.281 -11.349 27.406 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 16.719 -16.100 11.104 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 1.024 -1.979 -1.527 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 22.233 -15.902 2.331 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 21.348 -38.742 8.889 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 7.000 -0.948 -0.061 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 12.184 -5.394 -8.433 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 10.689 11.194 21.567 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 -0.163 0.105 6.974 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 -3.095 -5.527 -4.408 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 2.156 -15.106 12.292 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 -3.754 -0.978 -6.845 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 3.795 -7.952 -4.879 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 7.359 4.888 -17.158 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 2.388 -5.151 2.522 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 7.433 7.977 -2.259 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 -7.794 1.138 8.398 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 -0.669 -0.312 -5.145 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 9.584 -15.338 0.131 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 3.700 -4.852 -0.901 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 2.347 -0.286 -0.838 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 3.032 -1.677 -5.062 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 -1.872 4.256 21.545 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 -0.682 2.001 -1.146 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 -11.395 2.109 7.409 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 2.885 18.493 -3.056 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 0.785 5.945 -4.067 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 -5.323 -1.385 2.870 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 2.951 -1.163 -9.136 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 2.414 -0.209 3.266 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 -6.885 -27.929 13.265 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 -3.734 -1.771 4.772 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 5.493 -4.086 -3.582 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 25.900 -8.042 10.455 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 11.073 -4.596 -23.311 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 4.078 3.123 -4.374 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 16.141 4.589 22.610 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 2.602 31.975 6.632 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 3.462 -1.622 3.067 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 -7.635 -13.734 -14.618 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 -1.074 15.073 6.186 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 2.591 2.498 -2.438 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 -1.171 -21.876 -26.247 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 -0.533 -4.216 -3.947 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 -10.181 2.552 -5.132 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 -0.900 -10.172 -14.550 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 -21.382 6.755 3.828 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 1.761 -5.478 -4.377 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 -13.324 14.272 13.083 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 -20.272 -17.025 -22.059 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 -4.680 2.156 1.448 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 -2.967 -1.037 -12.080 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 2.360 -4.423 18.676 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 3.094 -1.638 5.151 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 -6.221 -2.520 12.634 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 11.999 -2.425 -1.907 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 -1.390 -3.503 5.298 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 12.141 -5.774 6.133 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 -2.457 -2.258 9.044 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 4.945 3.435 2.024 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 -17.299 21.996 -2.273 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 22.663 15.349 -16.919 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 -3.022 3.221 0.272 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 -5.825 -2.052 15.536 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 -5.068 8.892 -10.832 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 3.435 -2.795 -0.502 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 -9.879 -5.199 10.262 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 -0.569 -6.238 -14.278 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 1.597 -0.523 2.633 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 13.630 -6.239 10.118 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 -6.158 1.260 3.365 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 -0.133 -2.548 -3.511 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 -6.985 14.815 -2.228 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 2.890 0.237 4.450 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 -1.023 3.725 -7.258 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 8.135 16.667 -6.552 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 -8.488 12.453 -13.749 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 0.913 2.632 -3.004 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 2.069 24.704 -15.327 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 4.393 -2.653 4.349 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 -4.217 -5.682 1.325 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 -19.257 12.791 0.197 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 4.496 11.080 -5.780 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 3.302 -1.596 -9.189 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 14.386 -7.639 -15.349 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 -16.436 -13.470 -5.628 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 2.878 4.916 -0.098 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 9.355 -13.003 -12.594 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 6.297 -10.132 -21.311 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 -0.430 5.680 -5.363 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 -16.797 7.233 2.733 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 15.700 -2.946 10.638 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 -0.536 0.935 -3.079 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 -1.629 5.850 10.284 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 9.305 -5.355 -16.327 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 -1.645 5.002 -1.454 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 30.535 12.476 -18.956 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 -15.397 -0.780 -4.583 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 -2.598 4.098 -3.188 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 -11.134 -26.575 -7.862 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 9.353 2.706 12.688 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 3.500 5.578 1.475 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 5.665 -16.885 12.651 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 8.560 1.499 -13.888 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 -3.065 2.052 -3.409 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 -17.133 2.850 3.680 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 -12.528 -1.856 4.352 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 -2.449 3.268 0.745 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 -7.195 5.557 8.318 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 1.786 10.300 0.348 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 0.897 2.579 4.383 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 14.030 2.338 -15.452 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 13.304 -9.365 19.623 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 1.068 1.270 5.570 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 -2.329 -0.062 12.808 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 -5.938 7.994 2.358 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 -1.176 -3.655 -0.157 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 -8.978 2.168 -8.169 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 16.523 4.282 -18.622 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 -1.136 3.100 2.227 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 -14.814 5.616 12.073 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 10.172 3.782 -17.932 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 -2.222 0.992 4.094 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 2.741 6.795 8.920 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 -1.476 2.973 4.664 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 4.559 6.195 2.260 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 -2.481 0.089 -3.323 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 -11.018 1.869 9.795 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 -3.450 -7.912 -2.461 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 -14.516 -20.177 -2.066 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 -17.119 16.398 -2.945 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 1.499 1.198 -0.991 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 12.167 11.154 4.412 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 2.326 3.532 1.497 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 2.294 1.136 3.913 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 -11.870 -20.172 5.885 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 -2.166 -14.264 -10.102 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 -2.515 -2.745 1.339 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 0.981 -8.820 1.487 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 12.771 18.490 -1.579 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 -4.026 0.965 1.274 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 -6.239 -1.012 0.595 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 -0.925 10.450 12.173 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 -2.346 4.962 -1.970 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 -6.119 0.659 -0.850 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 -5.524 11.622 -6.373 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 3.758 -0.805 5.940 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 -6.907 -7.247 -1.160 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 0.270 3.138 4.194 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 -1.876 7.580 2.939 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 1.819 29.475 -11.284 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 2.631 16.668 -3.430 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 -0.035 1.980 -3.299 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 11.791 -0.121 20.717 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 5.023 -0.774 2.326 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 -7.022 -0.547 -3.193 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 -0.771 2.930 2.785 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 -2.106 -3.168 -9.121 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 -0.347 -4.330 -0.640 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 -3.567 10.114 3.017 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 4.588 -7.446 0.642 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 0.515 -4.876 -4.981 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 -5.887 -22.241 -7.692 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 19.283 20.900 7.558 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 1.247 -2.379 4.847 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 -10.456 2.160 5.226 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 -6.729 -11.894 1.273 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 -8.857 4.261 -1.867 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 -18.588 1.576 -17.890 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 -11.208 10.722 -3.680 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 -2.930 -2.509 -1.095 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 9.152 -28.988 27.406 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 -3.109 5.960 -7.665 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 -5.906 -6.646 -2.658 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 -4.407 19.044 23.547 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 21.691 -3.220 -18.523 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 2.260 2.097 -0.008 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 -0.809 22.452 -2.165 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 -15.393 0.856 9.543 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 6.721 -1.858 -3.158 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 5.274 -8.277 -7.879 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 7.062 -0.328 -7.202 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 -1.059 -6.782 6.067 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 -2.852 17.695 -3.186 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 -13.448 -21.733 14.141 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 1.110 1.429 3.141 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 -8.022 2.112 -2.947 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 12.109 -2.915 1.396 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 -0.595 -0.318 1.247 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 -6.314 -4.274 1.089 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 1.967 10.660 -26.662 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 0.863 0.727 -0.799 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 40.608 -2.722 4.947 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 13.647 4.530 5.838 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 -5.193 3.707 -3.836 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 13.325 14.839 16.349 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 4.164 -22.053 7.503 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 2.628 -3.501 3.355 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 3.415 6.486 -6.607 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 -4.294 3.894 6.710 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 -0.560 1.093 -0.041 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 -18.134 -3.410 -9.713 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 -22.152 -5.494 -11.012 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 4.357 -2.733 -0.025 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 16.551 2.306 1.353 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 12.145 -0.326 -1.676 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 -0.753 -2.212 -0.151 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 2.343 -11.066 7.708 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 -1.088 0.780 -0.357 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 -1.813 -8.533 3.153 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 -16.146 -13.230 10.311 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 -1.139 7.654 -8.115 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 3.725 2.785 1.832 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 3.603 -8.861 3.218 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 -15.872 15.592 -20.896 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 0.914 -7.840 -4.129 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 30.664 20.723 -5.196 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 -12.099 -3.947 31.349 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 0.260 0.107 -1.895 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 -0.907 -2.542 -1.607 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 1.410 4.675 -3.676 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 -1.088 9.148 9.585 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 -1.065 -6.630 2.655 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 -2.573 12.103 10.881 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 -1.274 -0.596 -1.717 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 -0.908 5.561 18.680 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 -3.802 -8.045 -13.014 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 4.841 -3.819 5.862 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 24.342 10.335 4.347 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 5.415 1.139 2.292 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 -1.718 -1.220 0.642 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 0.916 -8.507 7.184 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 -10.092 -0.473 -4.009 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 -1.689 -4.721 -1.735 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 10.095 1.576 -21.690 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 25.106 6.919 7.461 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 2.116 3.067 4.619 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 3.077 13.654 -3.575 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 24.328 -11.358 -20.603 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 4.994 0.269 1.418 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 31.774 -0.409 6.439 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 12.459 -1.266 2.913 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 2.244 -6.493 0.051 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 5.727 -6.370 1.364 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 -2.390 11.181 8.989 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 1.864 -9.554 -4.049 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 -2.489 5.266 19.777 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 6.246 1.701 -9.664 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 2.931 2.428 1.458 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 0.576 2.020 5.483 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 1.534 5.818 -7.298 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 2.596 -0.770 7.410 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 -13.947 0.964 4.887 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 9.444 -0.645 7.863 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 1.191 -3.673 -0.166 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 -15.401 -9.119 -0.269 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 -16.314 -15.659 -4.214 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 4.767 -1.623 -0.421 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 2.416 1.078 7.581 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 7.258 -0.436 -1.094 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 -3.742 -3.606 3.289 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 3.188 -2.618 3.452 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 -8.534 -2.728 2.947 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 4.651 -3.665 -1.326 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 7.597 1.077 5.902 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 -4.824 -8.969 -1.106 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 3.620 0.888 -7.695 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 -2.749 3.334 -24.975 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 4.749 17.850 -1.300 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 2.033 -2.311 -11.594 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 14.825 -6.366 -4.997 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 5.895 6.021 -3.837 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 1.538 -4.552 -6.019 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 -11.475 -3.623 4.638 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 -21.112 -2.966 6.208 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 8.586 8.298 -5.427 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 -1.643 -15.268 3.891 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 5.400 -5.898 4.749 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 -5.401 0.465 2.924 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 -8.596 -4.809 5.874 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 -8.182 6.458 4.344 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 0.473 -9.421 2.967 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 -12.073 5.027 -19.587 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 -12.195 -10.524 3.930 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 -0.376 -1.376 -2.193 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 13.198 -4.568 5.801 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 15.584 1.787 -4.441 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 3.076 0.265 0.065 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 13.250 0.222 7.132 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 13.301 2.647 -12.302 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 -3.186 -2.521 6.801 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 1.793 -17.415 11.234 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 -0.066 4.114 -8.463 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 -2.224 -3.007 1.441 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 -2.828 -11.406 -7.728 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 -0.472 -6.371 -9.073 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 -3.067 1.022 3.538 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 -9.698 10.565 -5.090 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 6.648 1.310 8.181 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 1.280 -3.334 5.912 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 -4.396 20.797 -30.111 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 -18.536 -17.796 8.289 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 7.184 -4.950 -1.633 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 5.597 -4.090 -3.964 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 6.409 -6.922 -1.096 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 0.832 -1.414 -6.203 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 -4.177 -6.886 -16.533 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 -17.859 -3.444 -0.509 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 -0.121 3.472 4.075 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 -6.884 -4.486 8.403 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 37.862 -13.708 7.211 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 0.916 0.408 -2.725 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 0.513 -3.012 -15.491 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 -1.063 5.889 -0.401 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 5.303 -5.290 -1.114 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 15.345 -16.170 -11.845 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 -0.901 -11.597 -18.256 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 -4.282 4.006 4.475 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 22.923 -1.493 9.039 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 -2.693 -8.640 11.760 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 -2.904 -4.489 0.275 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 7.244 0.620 -4.115 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 -20.609 -3.022 -5.872 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 3.768 -5.486 6.831 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 13.878 -6.243 14.739 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 -5.587 -5.680 0.436 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 0.546 -1.735 -1.424 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 25.603 10.896 -5.748 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 18.524 -4.360 -4.782 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 -1.113 2.133 0.530 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 4.629 20.527 -17.901 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 14.134 -4.970 7.470 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 4.488 0.241 2.130 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 13.540 2.572 -18.007 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 -3.617 14.849 18.092 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 -6.195 4.165 2.017 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 7.187 5.142 0.536 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 6.357 1.477 4.858 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 -4.343 3.677 2.090 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 -7.484 8.056 -14.495 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 -7.785 10.882 -11.075 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 8.233 2.381 -2.260 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 5.640 -7.097 4.222 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 -3.265 -6.028 2.021 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 -0.820 -4.246 2.823 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 9.647 -11.257 -5.772 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 12.346 -9.793 -1.534 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 6.031 9.721 1.380 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 8.477 -1.643 -6.234 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 9.571 6.216 13.056 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 1.119 -7.351 -1.077 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 12.174 -14.778 0.180 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 8.553 -1.546 -3.815 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 -4.244 3.079 3.265 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 -4.001 6.872 -2.909 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 -8.328 4.603 9.359 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 4.478 -4.210 -5.272 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 6.093 -3.564 -4.870 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 11.770 -1.158 -16.221 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 6.773 -2.732 -4.978 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 0.365 -1.352 -5.225 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 11.223 2.491 4.001 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 -5.396 0.529 -4.964 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 -15.633 15.742 -27.355 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 1.397 -8.486 10.082 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 -0.013 -1.295 1.278 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 -4.310 -5.295 10.885 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 3.245 30.612 10.926 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 -2.277 1.864 -0.611 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 -8.696 -7.853 1.228 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 2.522 12.553 -4.030 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 0.897 2.142 -3.034 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 -8.537 0.739 -21.346 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 3.376 -17.569 2.343 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 -0.470 -9.517 -0.774 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 1.316 2.298 1.955 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 10.457 -12.164 10.043 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 1.750 2.007 -6.568 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 -25.315 24.232 9.752 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 -7.382 -18.508 -19.851 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 -0.046 4.304 -6.398 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 -15.707 10.032 -9.730 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 -6.415 2.035 4.887 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 2.761 2.505 -3.237 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 -27.852 14.006 2.899 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 35.078 13.176 22.869 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 -6.844 -0.672 -4.708 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 -17.208 0.871 -6.253 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 2.936 -9.819 16.512 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 2.856 3.208 -0.759 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 4.033 15.740 11.619 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 21.813 -0.186 -2.257 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 4.234 -0.096 -3.931 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 -0.046 6.412 -23.192 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 -0.632 -6.733 17.760 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 4.779 3.140 0.473 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 6.805 -2.767 0.611 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 4.064 4.476 7.521 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 6.922 -3.639 -1.835 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 6.669 1.749 -4.183 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 7.204 6.003 -4.854 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 -0.534 -0.325 5.187 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 12.641 15.246 14.606 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 3.044 5.344 -6.688 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 2.988 -1.942 2.961 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 11.790 1.318 9.983 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 15.279 18.213 -1.015 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 2.730 -4.650 0.733 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 3.973 -2.977 -4.469 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 14.524 1.468 -26.645 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 2.390 -1.394 10.168 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 -18.763 -1.109 -8.412 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 -3.295 1.370 11.022 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 -5.447 0.465 -2.580 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 -16.485 -9.382 -2.613 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 -4.957 -0.384 8.940 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 -4.219 1.774 3.602 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 -0.387 -5.783 1.435 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 -0.357 12.897 -11.931 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 6.201 0.909 -9.305 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 21.119 22.946 11.156 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 -12.337 12.923 -11.602 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 -2.397 3.211 2.604 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 5.024 -1.485 -17.159 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 14.491 13.004 10.152 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 -3.790 -0.814 -0.803 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 -5.014 4.248 1.706 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 -0.959 -2.210 -3.547 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 -1.283 1.442 2.903 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 21.184 17.001 -4.784 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 3.155 34.920 3.344 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 2.774 0.028 1.419 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 -8.671 0.385 20.022 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 1.163 -14.606 12.120 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 6.949 1.477 -8.783 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 9.722 2.331 0.487 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 4.882 -7.335 -11.701 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 -3.649 -7.050 2.187 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 -1.742 3.741 5.805 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 17.189 -17.000 -11.413 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 0.784 2.606 2.995 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 1.753 18.954 1.138 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 16.111 -12.468 6.413 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 -5.304 4.251 -4.938 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 1.944 13.546 2.587 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 -4.170 17.353 -27.723 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 1.315 -0.690 -3.498 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 -5.619 -4.136 0.636 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 -0.305 -4.613 -0.372 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 -5.283 -0.262 -0.216 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 4.115 9.390 -2.446 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 8.903 -13.111 -2.678 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 -1.723 8.514 1.446 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 17.946 21.156 -7.899 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 -15.661 -1.151 8.773 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 2.419 -0.740 2.569 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 -24.066 25.397 -9.736 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 -13.822 15.540 -5.010 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 -5.559 -1.135 0.646 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 6.036 -15.161 -17.241 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 -7.871 9.991 12.066 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 -2.373 -0.692 -8.866 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 -12.750 1.691 -13.005 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 -0.989 -6.984 -4.955 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 0.795 0.874 2.980 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 8.220 6.421 -1.159 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 -12.444 -15.385 8.551 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 4.891 -0.754 0.628 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 5.036 -25.357 -12.892 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 13.440 2.897 1.515 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 0.771 -1.019 -0.224 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 8.976 -8.846 14.924 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 -25.866 24.137 15.978 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 0.266 -3.646 -1.994 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 1.708 -8.974 -2.002 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 9.236 -2.043 3.036 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 -3.217 -0.557 4.477 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 -10.327 0.605 -0.208 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 5.585 4.298 -1.222 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 -1.887 -1.815 -1.422 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 5.128 -9.110 -8.032 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 -11.941 -11.307 5.237 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 0.728 -11.594 2.962 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 -13.869 -7.398 -4.610 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 4.189 -23.627 -0.155 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 2.660 3.116 -5.666 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 2.323 2.901 -8.673 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 4.405 5.117 -2.210 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 4.793 5.070 4.919 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 12.648 -8.801 13.126 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 14.881 -14.261 -10.672 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 -4.004 1.561 -7.881 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 -5.126 -4.698 -4.881 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 -26.592 10.877 0.445 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 -2.342 -0.659 1.080 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 -20.227 -2.640 15.021 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 16.944 11.101 9.909 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 -1.628 1.739 -2.719 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 4.113 -5.348 -9.297 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 8.289 8.278 2.275 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 6.231 -3.603 0.384 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 5.869 7.427 0.689 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 15.650 -7.379 2.815 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 -3.144 -0.680 0.651 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 -8.105 -10.103 36.501 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 -2.122 2.602 2.250 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 -0.712 3.314 3.512 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 -4.449 -0.431 3.528 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 4.495 7.294 4.173 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 0.933 0.487 -1.306 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 9.466 -10.250 -4.370 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 -10.517 -5.950 2.564 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 2.866 1.005 -1.930 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 10.925 5.113 2.137 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 2.002 1.786 2.803 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 0.717 4.808 0.907 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 2.796 12.631 5.944 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 11.449 -29.637 5.878 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 -6.188 0.303 2.707 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 -8.705 1.186 11.948 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 0.054 -2.660 -3.850 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 1.120 -3.182 4.101 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 3.155 0.204 -8.908 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 -4.852 -10.743 20.552 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 -2.596 6.550 -1.892 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 2.304 11.492 -9.277 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 -10.052 -18.321 -13.854 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 -0.569 2.198 -2.803 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 -5.874 3.326 -3.235 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 6.479 -2.263 6.088 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 0.456 -2.782 -3.304 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 11.606 4.311 -17.878 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 -5.004 -16.569 -12.017 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 4.174 4.799 -2.638 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 -5.990 29.034 -15.426 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 -5.239 6.770 6.913 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 1.815 4.890 -1.923 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 31.210 14.237 -3.174 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 -19.005 7.836 -21.525 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 1.481 0.531 -6.500 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 21.688 2.223 -8.336 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 -15.216 -12.206 -21.246 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 -0.857 7.805 12.602 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 6.080 5.650 10.326 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 -14.671 12.885 23.456 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 5.903 3.127 1.983 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 15.823 -2.727 5.269 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 -20.914 7.483 -3.185 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 -3.155 -2.189 0.783 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 4.066 -1.188 -2.845 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 5.594 1.842 -1.911 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 -2.274 -0.575 -1.793 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 -14.856 14.536 4.120 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 -3.856 6.817 -6.655 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 2.299 -0.162 -1.115 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 6.294 -13.063 -13.661 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 -1.003 2.232 5.896 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 0.754 -3.464 -3.541 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 -8.150 6.011 -10.927 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 -23.828 3.581 16.603 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 2.581 -1.886 2.415 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 -20.662 3.139 -9.691 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 12.889 0.922 13.340 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 8.403 -2.696 -1.647 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 -8.784 2.977 11.424 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 13.230 -6.765 4.765 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 -7.348 0.299 -3.791 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 2.497 -3.706 -10.736 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 -2.273 7.914 -1.288 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 7.172 3.123 2.026 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 7.972 -5.035 -3.719 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 7.010 2.643 1.649 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 -4.699 0.362 9.553 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 -25.410 -24.936 -10.475 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 -0.138 20.809 14.259 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 5.390 -3.006 6.279 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 -16.413 -14.557 2.122 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 25.349 -5.494 -9.751 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 -0.820 6.642 0.118 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 2.290 4.612 1.837 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 -6.139 15.622 -4.191 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 4.125 0.660 -0.270 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 6.719 -8.344 0.653 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 5.292 -7.497 0.949 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 5.034 -3.022 5.930 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 6.248 -7.899 3.335 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 3.101 2.995 8.918 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 -3.203 -3.749 -5.418 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 -3.743 11.426 -13.842 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 -6.711 -0.061 2.474 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 -2.821 0.515 -1.333 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 -4.134 -13.935 35.946 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 -12.807 37.384 1.285 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 10.849 3.107 1.449 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 25.113 -20.046 -13.291 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 -5.629 17.366 17.102 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 1.098 -6.331 -2.158 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 16.353 -4.704 4.632 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 3.163 -5.718 -0.621 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 -1.000 -2.659 -5.063 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 12.270 6.886 18.192 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 -18.620 28.670 -11.001 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 7.144 7.107 -8.479 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 -4.692 18.710 33.532 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 -33.752 28.204 -1.943 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 -3.536 -3.759 3.153 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 -5.501 -5.007 0.534 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 -3.963 3.639 23.187 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 1.802 1.829 3.040 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 22.440 -23.264 1.838 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 -12.983 -2.325 18.544 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 -4.270 2.724 -4.544 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 -3.874 15.012 8.148 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 -4.339 15.432 -14.906 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 -3.095 0.340 9.143 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 -13.800 -16.009 1.280 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 -1.537 0.454 7.133 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 -0.380 -3.329 -3.799 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 5.220 -8.175 -0.200 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 0.255 -2.827 0.097 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 4.944 4.767 -2.107 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 -9.429 -35.729 -8.453 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 -1.049 -4.890 9.829 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 -0.341 -2.683 8.132 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 -4.959 -4.593 16.079 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 1.445 -3.556 10.249 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 -5.130 6.278 -4.261 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 17.309 8.589 14.240 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 -10.017 10.481 -25.396 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -4.911 -4.568 6.463 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 1.102 -4.626 19.674 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 -9.935 4.825 1.935 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 2.456 2.856 -2.910 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 -12.997 -20.131 -11.002 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 -1.586 4.457 -2.166 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 5.802 -1.619 -2.257 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 3.359 -13.798 -15.598 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 8.134 -3.396 -5.125 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 6.265 -3.593 -3.354 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 -7.524 9.376 0.759 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 5.866 -11.691 6.437 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 -2.057 0.856 0.382 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 -7.353 9.703 5.459 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 -2.410 16.387 -0.041 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 -0.899 -0.700 3.537 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 -5.621 0.115 4.516 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 -8.288 -0.462 8.505 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 9.039 -7.934 0.784 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 6.541 3.856 -5.072 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 10.816 -8.793 0.381 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 -3.002 3.013 -1.179 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 -3.256 7.278 4.909 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 -3.482 -1.537 -11.113 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 3.412 -1.257 -2.401 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 -11.682 -7.747 9.965 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 18.160 -8.284 -7.631 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 -4.938 -3.755 -0.119 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 -8.369 -0.410 -5.399 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 -4.576 -21.608 -2.831 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 -2.394 -0.610 -2.436 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 -7.264 -15.708 18.872 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 18.346 -5.916 18.447 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 -3.979 4.150 -1.460 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 32.898 5.995 11.909 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 -17.456 -7.954 -3.171 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 1.234 -9.322 -1.112 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 -0.890 -6.601 -30.678 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 34.200 20.401 -14.111 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 8.628 2.716 0.749 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 -2.786 -1.859 1.024 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 -21.320 -6.680 5.400 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 4.971 0.955 4.689 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 9.522 -14.794 20.038 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 -0.799 -3.210 -19.374 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 -1.257 -2.601 1.396 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 -6.081 0.662 1.933 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 4.242 -1.042 -0.409 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 5.976 -2.450 3.033 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 10.641 5.884 -12.896 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 13.121 7.070 1.388 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 -1.975 -0.050 2.387 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 18.366 -7.049 -23.829 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 25.331 -8.928 -20.063 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 -5.552 3.339 -9.287 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 -20.776 3.649 -15.067 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 17.362 -2.354 -2.798 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 0.070 -0.103 3.738 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 14.972 0.430 2.428 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 -3.822 4.702 18.784 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 -4.252 4.601 4.804 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 -5.829 5.748 1.463 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 -12.031 -1.558 3.574 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 -2.948 5.622 -1.858 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 8.645 3.107 3.283 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 -0.742 6.419 -2.138 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 1.258 4.189 -7.069 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 1.189 2.374 -20.029 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 2.532 -16.510 14.412 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 -3.098 0.408 4.580 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 -27.482 -19.091 -2.443 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 3.068 8.684 4.769 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 9.475 0.022 0.747 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 -2.442 -11.788 -8.652 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 3.863 1.570 2.554 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 -1.187 2.287 -4.142 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 -5.567 -1.302 4.367 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 2.345 -5.801 -8.068 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 -1.866 5.170 -3.416 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 -17.871 9.911 -9.362 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 7.158 3.121 0.370 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 0.427 1.051 1.416 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 2.725 14.042 13.506 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 19.897 9.827 -30.494 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 1.342 5.269 -0.913 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 5.068 4.634 -1.496 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 6.108 3.177 -6.505 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 -9.121 5.865 -0.332 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 -13.038 -3.546 1.473 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 -9.556 -12.605 -10.125 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 -0.317 -5.317 -4.638 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 14.789 25.944 -5.547 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 7.604 4.782 -1.583 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 -1.900 2.186 7.407 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 10.544 22.431 -4.980 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 7.311 -1.559 -7.261 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 1.643 -3.057 2.716 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 -1.354 -5.091 -12.744 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 -4.813 6.026 18.765 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 5.750 -5.917 2.355 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 2.297 -8.623 -9.526 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 -5.844 6.937 4.824 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 -4.300 0.382 5.001 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 -0.348 3.242 -0.773 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 4.894 7.597 -7.927 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 3.534 -0.636 3.169 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 2.430 -6.995 15.747 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 -6.366 -6.520 -6.192 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 0.515 3.253 5.516 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 -3.795 6.016 10.995 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 -0.750 3.098 3.557 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 8.845 -5.463 -1.930 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 4.311 -2.629 -11.693 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 -3.740 3.363 -9.687 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 1.492 -3.149 4.833 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 -3.798 4.629 -12.053 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 13.106 -28.538 4.209 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 0.844 2.397 1.921 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 1.818 -45.792 -7.898 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 -4.709 3.034 3.163 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 -0.091 0.226 -5.870 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 -11.281 7.853 -10.082 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 24.185 20.253 15.115 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 -3.473 0.091 0.832 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 -14.027 14.161 14.624 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 3.185 11.628 22.600 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 -3.422 4.605 -2.076 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 30.087 -13.358 -5.931 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 2.484 10.158 -3.486 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 0.383 1.402 -2.272 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 -4.739 3.995 -2.191 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 5.125 30.525 -21.381 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 -0.502 0.892 1.541 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 5.421 -4.626 12.090 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 -9.994 -8.783 -5.246 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 2.478 0.463 -0.540 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 3.423 0.406 7.767 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 24.233 -2.459 -8.822 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 1.551 -4.104 1.163 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 -5.624 0.118 -0.747 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 2.951 3.388 2.095 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 1.865 4.722 9.159 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 5.585 -12.112 10.702 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 -17.795 12.142 -5.586 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 -2.608 -1.287 0.873 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 -28.008 -17.323 -4.478 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 -12.338 -11.114 -4.245 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 -0.653 1.189 2.166 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 3.427 5.259 4.964 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 9.611 -0.003 8.802 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 3.702 -2.216 -5.857 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 11.907 -3.966 -2.596 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 8.671 -6.226 -6.028 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 1.052 -9.435 0.503 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 -23.312 -0.768 -0.558 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 11.155 -26.719 11.744 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 4.712 0.254 4.061 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 11.748 18.002 26.097 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 -7.920 -12.029 0.080 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 -0.151 0.012 -0.636 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 -2.591 3.355 2.243 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 -1.096 16.211 -23.556 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 -5.846 2.728 1.782 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 -1.167 18.619 0.245 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 -11.864 6.035 -3.852 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 0.728 -1.311 2.858 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 4.415 1.455 4.068 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 5.175 12.319 10.150 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 1.165 0.778 -3.170 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 -12.936 4.355 -7.692 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 12.276 -2.116 16.283 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 -4.081 -4.417 2.820 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 -19.937 -12.287 2.076 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 2.802 -4.355 4.576 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 6.825 0.308 4.918 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 1.238 2.588 13.322 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 4.217 1.598 -6.682 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 -2.056 1.252 -5.071 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 -3.582 4.500 -6.807 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 -5.353 9.224 5.698 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 0.020 6.341 -1.099 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 28.167 0.610 -6.306 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 -9.818 -1.549 -16.780 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 3.062 -2.957 4.558 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 1.743 9.016 8.811 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 -4.957 -3.923 1.731 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 -1.348 -7.861 8.639 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 22.661 -31.152 -0.547 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 -4.067 15.285 1.942 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 -2.529 -1.827 -0.246 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 16.643 12.499 -5.328 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 -7.388 -2.338 -10.401 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 -0.770 2.007 -0.394 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 -5.180 11.236 22.903 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 19.467 -1.217 -7.244 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 0.029 0.046 2.888 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 -6.070 9.732 -3.146 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 5.154 3.518 12.981 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 -1.042 -5.484 0.680 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 -6.754 4.005 20.020 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 26.405 -15.204 4.472 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 2.497 1.201 0.021 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 -2.050 23.719 3.833 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 15.939 13.798 -3.392 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 -1.409 -1.653 8.493 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 -21.757 3.908 18.610 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 7.270 17.903 1.744 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 0.188 -4.652 -2.944 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 3.651 4.435 0.585 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 12.884 -9.687 7.502 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 -0.313 2.663 -2.254 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 -7.383 2.538 -4.776 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 -4.070 3.089 -1.994 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 0.247 -1.357 -4.065 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 8.104 16.026 -28.409 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 -13.829 9.456 -0.829 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 3.804 1.480 0.184 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 -26.360 -13.705 7.157 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 -4.843 0.113 -0.536 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 0.854 -3.167 0.936 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 -6.680 -4.210 -12.296 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 8.368 15.628 -3.282 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 3.231 4.070 2.593 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 -1.506 14.014 -8.645 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 -2.529 10.812 -8.081 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 -0.411 0.535 -5.977 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 12.768 -4.839 13.364 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 -2.563 0.592 -16.560 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 1.221 3.696 -6.953 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 12.899 4.731 -3.908 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 10.244 -10.526 -3.993 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 1.660 -2.412 -0.450 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 -1.442 -3.698 -0.731 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 2.364 1.448 2.929 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 -5.336 0.054 2.650 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 16.275 22.152 15.369 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 -5.411 6.162 -5.839 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 4.963 2.980 -0.844 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 11.263 -24.710 -11.670 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 12.951 13.365 34.461 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 -3.874 8.031 -0.610 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 2.362 4.536 -16.795 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 13.441 12.575 6.295 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 0.155 6.135 -0.344 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 -3.159 10.006 3.290 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 15.055 4.147 12.587 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 -0.605 2.669 -1.146 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 -6.009 30.628 -26.808 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 -21.473 25.846 -9.543 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 -3.755 0.942 -1.619 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 -18.865 4.952 31.934 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 -0.436 22.189 11.930 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 -5.455 -4.138 4.078 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 -8.447 7.206 0.977 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 -5.950 4.024 0.032 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 1.019 3.217 -0.722 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 1.242 -9.041 13.108 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 -17.863 1.467 5.387 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 4.903 -3.893 0.970 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 -4.372 11.968 11.361 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 2.718 -13.500 -4.857 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 -1.412 -4.656 7.491 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 4.680 -7.130 3.553 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 -17.706 -2.692 17.563 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 3.917 -6.336 -1.971 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 -5.567 -3.589 -3.805 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 1.382 0.195 -17.219 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 8.458 3.066 0.704 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 4.841 3.521 -4.041 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 -20.569 -4.152 -28.910 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 2.401 -4.271 0.957 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 3.473 -3.347 0.734 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 7.208 -4.394 -0.408 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 -1.172 4.109 3.938 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 12.094 4.931 13.538 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 -1.700 -0.765 -3.540 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 -0.236 0.324 -8.667 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 -14.592 -4.156 -6.748 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 -4.282 -1.296 -13.220 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 3.709 -5.717 -1.074 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 -8.392 -1.051 11.561 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 -4.307 -9.007 -16.596 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 -2.310 11.829 2.616 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 -4.639 2.905 10.962 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 -5.524 -2.261 14.849 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 0.313 2.134 3.051 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 -14.397 -2.281 30.521 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 7.703 -2.902 -14.351 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 -0.579 2.493 4.102 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 2.784 -20.715 -7.090 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 -13.410 -30.568 -21.437 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 -3.244 3.421 -4.600 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 6.496 6.649 3.255 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 4.696 10.644 -15.685 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 4.661 -0.862 -0.227 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 -13.111 9.714 -15.609 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 12.842 -7.052 3.658 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 5.978 -2.833 -6.077 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 4.647 -5.087 -12.791 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 8.432 -12.140 -19.582 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 -6.138 -8.449 -5.954 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 -12.046 -1.179 0.683 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 5.107 -7.727 18.933 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 -1.460 -4.700 -1.805 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 33.009 -6.846 7.076 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 -11.276 1.391 -21.699 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 -1.336 4.075 -3.819 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 -1.772 -6.931 -12.983 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 -2.543 -6.383 -22.670 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 4.224 -2.372 -1.284 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 -10.918 8.464 16.903 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 -6.360 -0.255 4.892 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 -0.896 -4.444 4.211 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 -10.526 -6.078 1.366 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 3.774 -7.936 11.833 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 -1.842 0.496 -0.702 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 -19.975 3.708 -8.468 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 7.743 0.230 -11.048 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 -4.879 -0.250 8.319 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 2.615 1.065 3.144 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 -2.362 1.182 7.785 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 -2.344 -1.803 -5.411 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 -2.840 -3.758 -7.205 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 2.202 7.539 -7.583 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 1.574 -1.406 1.778 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 3.507 7.277 -0.470 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 -0.370 -2.187 9.795 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 4.300 -7.311 1.674 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 -18.502 -7.027 -11.565 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 -8.072 -20.119 17.489 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 -0.913 2.502 -3.845 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 -5.613 -10.840 10.184 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 -6.569 -5.815 2.918 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 1.328 2.436 6.464 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 6.600 2.653 -12.887 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 0.838 -3.884 11.985 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 -2.323 -7.911 -4.438 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 -17.247 -10.162 1.584 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 -10.303 -13.791 -3.986 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 -2.579 -3.118 -2.745 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 -7.359 -30.277 -21.475 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 -1.215 -2.224 15.366 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 -2.906 -2.624 -4.172 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 15.985 -7.713 -3.752 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 -7.840 -13.081 6.671 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 6.183 -0.104 -1.308 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 3.060 -19.985 0.900 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 12.386 -3.607 23.593 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 -3.144 5.596 1.491 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 18.706 26.919 7.949 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 -0.869 5.147 -23.258 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 -2.209 -6.438 5.293 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 19.000 -27.879 12.509 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 25.488 4.946 -1.942 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 -5.925 4.812 -4.319 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 4.303 -6.740 -3.616 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 -10.409 -6.370 -2.529 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 -0.953 -3.778 -2.477 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 -8.904 12.652 -15.412 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 15.660 3.209 2.622 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 0.973 1.277 -3.953 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 10.176 -14.647 10.869 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 2.536 -0.296 -3.073 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 1.230 -13.464 1.988 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 3.602 -1.087 -4.298 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 6.194 11.353 -10.095 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 -2.830 -7.608 1.508 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 2.526 -9.671 -3.077 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 1.585 -3.104 2.835 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 2.545 -3.662 -0.317 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 -18.885 -1.392 -12.163 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 25.153 -3.697 15.269 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 5.664 6.240 2.009 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 16.748 8.779 7.464 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 -26.852 -0.048 14.751 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 -6.224 7.281 -0.956 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 -0.015 0.909 9.564 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 1.987 22.670 -28.580 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 1.491 -6.363 -4.684 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 0.075 -4.532 -7.894 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 6.235 -1.874 -7.323 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 -3.722 3.536 6.227 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 -8.780 4.395 10.814 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 -5.073 12.376 -0.230 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 -1.235 2.380 1.739 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 -21.720 -1.896 -17.667 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 21.511 8.042 6.381 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 2.619 -0.608 -3.160 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 5.930 -4.782 4.563 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 -2.872 2.776 5.996 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 -1.613 0.395 5.622 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 0.482 -28.395 4.344 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 -2.100 5.701 1.600 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 -4.514 -3.802 -0.984 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 6.244 9.793 17.366 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 5.967 -21.554 -8.347 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 -0.120 -1.955 3.606 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 -11.414 -11.433 21.984 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 -19.707 -7.898 2.085 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 1.262 1.739 7.230 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 -6.081 -5.060 3.002 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 11.865 -5.576 8.240 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 0.505 5.936 5.065 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 10.518 2.081 -1.273 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 -9.072 -8.690 -11.380 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 -1.381 1.597 -5.556 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 -9.324 4.118 -8.258 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 16.134 -8.109 -5.534 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 -0.877 0.013 2.697 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 7.374 -1.127 6.715 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 23.336 24.129 4.879 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 -4.282 4.954 -2.167 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 -9.222 5.304 22.049 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 -6.826 4.965 -3.439 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 -0.358 -2.568 7.858 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 -8.477 -7.915 -3.737 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 -3.753 -11.029 14.158 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 -4.500 -1.783 -5.327 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 -18.874 5.871 -20.665 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 -31.479 8.463 3.312 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 -6.884 1.470 -6.639 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 -11.758 12.646 -5.202 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 3.286 -18.180 -7.153 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 4.118 -4.465 8.100 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 17.938 0.769 16.512 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 12.730 -1.101 11.322 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 4.157 -2.822 4.506 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 2.708 -22.957 0.353 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 -1.180 -2.715 6.916 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 -3.692 3.692 -4.274 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 -2.870 20.234 -12.217 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 0.965 6.922 9.287 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 4.389 4.594 -0.977 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 -2.702 11.226 -3.856 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 -14.148 11.732 -0.761 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 0.860 -0.569 -3.272 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 -5.021 8.397 -23.881 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 -13.007 -2.846 21.910 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 1.394 1.953 -2.666 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 3.988 8.753 -4.868 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 8.950 -3.688 -9.483 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 5.640 3.716 -7.642 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 0.956 6.352 -8.376 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 -7.730 -1.979 -13.302 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 -4.787 -4.231 4.666 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 -13.926 -3.003 -7.629 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 -5.098 -8.201 7.887 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 -3.350 -0.195 -1.855 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 -5.609 -3.677 -4.000 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 -13.396 3.573 -20.247 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 0.803 4.548 -4.983 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 1.708 4.321 -3.668 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 9.152 1.227 5.778 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 0.995 1.496 2.716 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 -0.413 -18.933 -2.956 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 13.154 6.224 12.685 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 1.699 2.975 1.146 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 4.446 9.007 -0.559 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 20.072 17.187 -20.673 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 -4.444 1.579 -0.881 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 12.782 -29.478 1.092 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 -21.490 -17.714 4.265 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 -1.069 0.061 -0.191 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 -13.435 15.403 -7.388 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 17.920 -8.886 12.952 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 -6.316 -1.998 -1.487 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 11.743 12.408 1.377 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 20.037 13.454 9.449 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 4.876 1.333 0.450 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 -12.497 -14.743 6.814 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 5.046 1.693 13.607 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 1.755 -0.397 -1.569 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 9.719 -5.155 -5.158 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 -3.410 8.445 -6.992 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 -0.775 0.371 -5.190 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 -6.384 -14.393 9.832 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 36.338 16.528 -16.915 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 -6.053 1.422 2.753 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 -7.485 -3.840 11.151 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 -14.870 4.652 -0.068 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 -3.207 -1.045 -1.049 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 9.135 -5.508 1.572 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 -11.572 -7.409 6.825 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 13.611 -0.549 -10.145 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 12.769 -6.662 17.150 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 30.385 -3.468 -21.443 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 5.861 -3.137 -0.487 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 7.249 2.958 -5.010 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 9.154 16.274 -9.720 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 -7.288 1.655 -2.184 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 -7.789 6.130 -9.896 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 -7.680 -0.540 -0.350 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 -4.019 -6.067 -2.099 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 5.282 6.253 5.795 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 12.798 2.353 -8.062 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 -5.505 -0.322 0.004 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 4.034 -3.919 -7.895 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 8.656 -12.306 -8.271 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 -7.650 6.203 -4.970 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 10.050 -16.090 -5.714 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 4.188 -16.638 -4.595 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 -7.130 -3.126 -1.216 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 -8.739 4.814 -13.369 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 -8.309 10.254 9.783 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 1.434 -0.628 -2.412 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 -16.384 -16.733 -1.419 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 -17.836 20.951 -8.185 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 -3.277 -4.799 -3.032 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 12.681 -11.047 -13.854 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 10.607 -10.767 -12.131 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 2.456 5.663 4.013 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 18.720 17.003 -6.278 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 9.735 -14.512 4.562 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 -3.433 0.669 -3.287 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 5.265 10.164 -9.027 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 -22.707 9.024 -5.360 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 -3.117 3.636 2.454 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 -10.474 2.859 -5.308 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 3.561 -1.057 3.695 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 3.526 0.317 2.828 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 -8.483 -21.503 35.247 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 -1.954 -4.336 10.132 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 8.053 -2.388 -0.408 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 17.376 1.315 1.456 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 4.510 5.976 13.649 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 -0.194 0.581 2.529 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 17.531 1.100 -10.925 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 22.712 -4.833 10.381 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 10.109 5.907 8.101 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 -17.161 8.688 13.988 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 0.060 8.515 -8.458 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 -4.063 4.704 0.821 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 -18.300 11.409 -2.461 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 -11.749 8.143 20.106 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 -4.565 -1.524 -5.139 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 -11.925 14.674 -2.004 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 -20.875 -4.752 -21.313 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 -0.852 2.138 -3.824 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 -4.566 -0.772 4.620 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 11.842 -8.551 -2.044 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 -0.160 1.390 -0.973 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 1.039 -2.258 -8.036 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 2.734 -4.623 -14.431 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 2.016 -0.482 -2.131 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 -9.316 -12.064 -30.310 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 28.573 4.958 -10.867 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 4.633 1.033 3.998 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 6.880 -11.473 -3.883 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 0.135 12.289 11.578 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 4.281 2.048 1.971 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 -14.196 -9.236 -7.237 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 6.467 10.425 -4.378 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 3.331 0.042 3.599 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 -1.062 16.457 10.893 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 3.717 20.228 -1.461 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 -2.479 -1.229 4.830 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 -2.912 -5.148 3.347 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 -14.504 -15.276 0.061 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 2.787 4.482 -3.137 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 23.022 -11.688 -1.115 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 6.240 4.896 -6.586 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 -1.777 4.014 1.554 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 -9.800 -22.720 3.296 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 -28.157 13.427 -10.473 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 1.418 2.765 1.939 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 -2.183 5.130 -17.978 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 12.690 -0.133 -0.852 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 -3.697 -3.800 3.518 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 -16.749 -8.293 0.621 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 -20.610 -7.552 -27.105 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 -1.692 6.732 0.903 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 -10.128 1.517 27.444 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 -15.337 -12.861 0.448 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 1.747 -4.266 -0.660 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 -11.825 2.405 2.870 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 -2.448 2.066 17.943 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 -1.915 -2.434 -3.738 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 -13.524 -5.470 -20.575 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 10.550 -0.642 -14.856 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 -1.204 5.438 5.958 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 -37.159 -17.705 -17.415 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 5.263 17.211 9.354 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 0.588 1.671 -1.255 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 -8.427 6.728 1.665 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 1.551 13.222 -10.289 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 4.609 -1.465 5.786 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 8.236 2.057 29.442 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 28.610 -6.966 -6.512 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 -2.074 2.838 5.650 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 -3.121 -9.568 -3.330 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 1.663 -5.980 27.848 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 1.319 3.341 -1.071 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 -2.040 -12.367 14.258 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 -4.154 5.437 -27.153 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 2.091 3.596 -0.475 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 8.501 -13.076 5.397 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 -16.153 -10.458 -1.276 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 1.203 0.698 -0.917 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 2.760 -0.246 0.005 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 -11.741 -9.054 -7.146 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 -3.686 -0.810 -3.316 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 -36.693 0.841 -0.058 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 12.306 8.495 -1.955 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 -6.640 -3.982 4.099 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 -13.582 -14.571 10.246 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 -10.820 5.220 14.225 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 -3.421 -1.959 0.768 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 -1.673 0.533 -4.120 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 -11.580 -6.857 7.567 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 3.124 1.849 1.900 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 -5.444 4.085 13.565 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 -5.634 -9.778 7.181 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 -0.535 -2.942 3.919 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 12.506 5.028 12.911 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 -5.410 3.266 3.280 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 0.950 -4.406 -3.609 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 10.541 -5.695 -19.851 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 29.271 14.635 13.675 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 1.358 4.157 0.703 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 -1.547 5.591 -16.570 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 -14.735 -25.965 -13.484 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 1.697 -3.979 1.111 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 6.744 -3.779 -4.887 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 -8.461 -9.562 -3.890 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 -1.884 -2.612 3.829 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 -4.855 -2.308 4.744 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 -0.033 -7.445 -1.018 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 -0.328 9.043 1.384 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 18.866 17.234 -8.197 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 -1.346 8.858 -2.228 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 1.665 -5.395 -1.401 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 2.734 14.272 -17.985 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 3.651 22.911 -27.624 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 4.402 1.926 9.855 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 4.719 6.706 13.880 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 -2.181 1.246 17.749 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 -0.270 9.776 2.204 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 5.635 7.441 5.113 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 -5.793 -3.384 2.840 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 2.345 -2.625 -3.317 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 17.181 9.475 -5.444 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 -20.320 -10.269 -14.715 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 -0.506 -2.669 -4.941 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 13.919 4.696 -6.879 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 -6.374 -16.215 -6.397 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 5.995 -0.908 -0.854 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 9.488 -3.091 29.427 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 0.312 10.109 -8.122 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 -0.896 -1.461 -3.089 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 -5.315 -13.552 -15.774 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 -1.508 -2.834 1.121 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 -3.806 3.937 -2.935 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 -6.003 -2.056 -7.092 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 -6.626 3.018 2.594 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 -1.073 -0.944 -3.548 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 -18.727 12.504 -5.288 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 4.480 -6.801 -2.235 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 -5.513 5.288 -2.515 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 5.956 -2.870 -13.203 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 8.695 -1.952 -9.259 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 4.707 -7.068 0.844 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 -0.699 15.289 4.178 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 26.555 -8.709 -10.061 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 6.281 -0.165 3.974 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 7.478 14.892 8.204 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 2.229 -15.610 2.836 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 0.192 0.054 1.135 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 2.831 -10.876 15.213 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 -16.129 7.451 -15.477 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 -1.450 -0.949 6.460 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 12.100 -10.655 -18.946 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 -34.443 3.749 22.728 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 -4.389 -1.343 -3.537 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 3.089 6.270 -22.414 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 3.942 8.364 -7.919 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 -1.162 -1.036 8.519 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 11.670 -19.245 3.413 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 -12.873 9.611 -3.883 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 -8.215 0.174 0.404 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 1.231 1.505 -5.467 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 -9.019 1.375 7.104 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 -1.018 4.643 0.499 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 -18.112 -18.702 23.828 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 -3.813 -8.192 2.691 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 -2.210 5.597 0.415 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 -0.287 -26.664 -15.830 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 -20.006 10.366 -7.402 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 -8.171 3.382 4.659 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 2.253 12.448 41.354 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 -14.150 -4.959 22.592 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 -4.731 -4.972 7.128 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 -13.270 -3.667 12.049 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 -2.307 -11.180 8.569 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 1.781 -0.628 2.315 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 -7.595 6.008 11.030 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 7.235 -24.052 -3.417 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 3.680 -1.300 2.242 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 -1.213 9.113 -1.244 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 -0.120 24.351 8.756 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 -3.037 2.695 2.469 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 16.076 -8.861 -13.342 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 -4.621 -18.317 25.986 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 -3.192 1.614 1.357 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 8.011 11.057 -3.870 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 -9.707 3.970 8.640 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 3.436 -1.094 -0.523 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 7.522 23.259 -9.329 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 7.015 -12.299 32.824 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 1.477 -4.719 1.003 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 5.385 -15.008 -0.880 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 -15.867 14.310 12.851 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 0.663 0.139 4.725 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 5.458 -10.783 -11.166 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 -1.613 -10.800 2.453 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 -2.903 0.769 2.316 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 15.885 -9.227 0.818 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 -14.909 -12.429 11.166 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 1.268 -2.648 0.844 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 2.730 -0.359 7.551 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 -4.101 -6.844 -4.846 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 -1.348 0.265 -3.066 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 -13.636 -10.124 1.522 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 4.474 1.623 10.735 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 1.142 -4.024 -2.299 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 -5.493 -16.439 0.084 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 15.947 3.608 -11.162 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 6.591 4.624 -2.499 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 11.576 -3.393 11.776 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 -6.004 -3.631 -8.468 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 2.540 -2.712 -1.942 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 -3.404 -26.148 -0.043 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 -9.962 -6.418 6.036 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 5.817 5.612 -2.925 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 0.224 16.906 -8.097 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 -2.364 -6.688 -9.565 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 1.638 0.170 -3.502 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 -11.874 20.249 24.947 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 -9.884 -19.809 16.086 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 -3.352 -1.146 0.490 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 -11.781 0.167 6.933 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 -2.458 -13.993 -0.177 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 -3.717 -1.111 1.279 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 -12.039 -1.298 -2.195 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 -12.993 2.206 8.500 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 -6.815 1.961 2.230 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 -16.186 1.220 11.340 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 3.939 -6.135 -0.859 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 -3.341 2.337 2.450 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 1.473 -4.080 -2.055 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 -6.817 8.806 -1.672 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 -0.578 3.759 -0.068 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 -20.030 14.984 -18.659 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 -13.690 3.848 -1.031 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 -1.867 2.873 6.957 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 8.122 -8.512 6.911 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 29.807 -7.981 16.770 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 1.969 -1.727 -2.445 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 35.205 -4.433 -6.129 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 -6.574 11.984 -0.117 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 0.207 -1.847 0.063 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 24.724 9.959 7.395 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 1.692 -27.007 -9.305 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 -3.233 2.119 0.462 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 3.277 -0.647 -7.723 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 -2.474 2.355 1.866 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 -1.452 -4.091 8.068 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 3.909 -6.118 -3.281 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 3.717 -19.632 -8.116 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 -10.249 6.103 5.899 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 6.874 7.915 8.415 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 -25.297 5.038 3.120 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 -0.853 1.021 -0.966 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 -18.705 -6.319 12.223 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 13.578 3.723 -8.509 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 -0.512 -4.460 -2.433 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 10.419 15.812 -2.732 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 1.407 -15.026 0.253 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 2.350 -5.058 -3.192 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 16.226 -4.247 3.402 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 -4.764 -40.722 -2.112 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 -0.399 -2.079 -1.827 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 8.260 4.873 4.782 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 2.736 1.476 1.271 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 -6.092 1.823 -3.087 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 -4.310 10.053 8.211 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 -16.467 -15.743 3.038 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 -1.367 5.228 0.314 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 -1.367 3.537 1.557 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 0.647 2.457 2.759 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 -1.446 1.444 -7.272 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 4.490 1.416 -13.182 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 3.580 -13.969 -7.616 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 4.188 4.013 -0.144 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 -9.095 -0.663 -12.251 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 19.905 -0.216 -8.978 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 -3.959 -3.051 5.609 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 -1.848 8.067 18.452 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 8.318 -13.355 5.946 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 -2.126 0.273 7.018 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 -9.959 -15.206 -0.490 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 -19.363 -16.096 14.806 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 -4.274 3.289 -1.110 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 9.140 6.123 -10.098 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 -4.900 10.647 17.123 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 2.734 -0.097 0.265 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 3.228 12.453 -19.451 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 4.169 1.866 -13.709 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 -5.450 -1.718 -5.344 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 -3.190 -0.449 -12.763 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 5.131 -7.064 2.445 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 3.924 -6.170 3.317 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 -2.159 11.118 2.003 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 -12.531 -19.758 -2.799 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 -0.955 2.344 -2.456 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 -6.606 -2.683 0.261 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 13.732 23.218 -17.349 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 -1.582 -3.317 -3.848 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 -3.173 -30.789 7.981 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 -18.500 -9.406 -4.127 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 -2.719 -2.062 1.346 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 0.059 1.901 -9.096 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 -13.109 2.229 -0.179 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 -1.480 -0.303 -1.105 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 4.043 -7.031 -4.171 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 -26.293 -8.442 0.453 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 -0.279 -1.229 -4.111 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 -4.780 0.619 -7.340 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 0.977 -3.151 -4.832 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 7.929 1.213 5.798 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 12.866 -0.389 10.359 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 -9.670 8.467 -24.275 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 1.818 1.396 -7.368 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 7.213 -3.448 4.046 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 -2.531 -11.026 4.437 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 8.071 -9.332 1.380 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 -10.294 -13.712 -7.583 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 11.325 -25.389 -8.873 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 1.268 -0.546 4.936 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 -6.258 -5.744 -1.922 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 -6.593 -3.400 8.172 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 -1.188 1.020 10.011 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 -4.307 -9.117 -17.429 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 -4.795 2.859 11.632 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 -0.837 2.668 -2.331 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 -9.489 -17.249 11.481 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 -18.468 18.821 -7.691 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 1.924 -0.638 5.711 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 16.955 12.495 11.764 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 -15.425 -4.604 1.868 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 2.963 2.256 2.939 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 7.130 4.125 11.751 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 -8.240 -6.748 -31.820 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 1.761 3.806 2.926 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 7.904 -0.603 9.353 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 -1.275 -4.004 -2.678 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 4.251 0.681 -4.423 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 14.783 -6.952 9.923 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 -18.970 -10.005 -2.524 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 -5.939 1.442 2.381 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 -1.338 -18.958 -13.715 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 17.349 6.936 16.989 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 0.654 -4.464 -2.399 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 -0.812 -3.381 -8.009 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 -5.587 -10.309 16.722 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 -4.922 1.957 -1.204 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 6.554 3.375 4.198 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 11.123 10.424 2.205 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 7.181 -4.138 -0.055 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 -1.366 -6.996 2.708 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 5.818 -7.721 20.940 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 0.020 4.952 0.556 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 1.530 7.312 -10.027 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 7.393 -8.614 0.776 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 -3.773 -6.056 0.432 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 -1.721 -20.952 -11.957 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 5.202 9.083 -9.634 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 -3.672 -3.693 1.167 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 6.728 0.116 5.798 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 38.007 -1.230 -5.032 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 -12.995 3.292 -2.613 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 -14.475 -0.837 -2.851 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 0.780 12.660 -5.164 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 -3.209 -6.978 2.697 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 4.073 14.993 -0.902 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 3.848 0.439 1.634 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 1.273 1.457 -1.178 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 6.040 -0.934 -11.291 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 3.969 3.304 20.093 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 6.021 5.654 -3.299 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 -11.289 8.309 -4.445 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 11.117 4.180 11.190 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 -5.392 -1.575 -1.532 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 26.380 -24.882 -18.252 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 16.835 12.820 -11.483 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 -0.889 1.628 2.066 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 -0.791 -13.748 8.232 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 -1.726 7.999 -0.314 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 2.020 -2.880 -2.849 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 -0.593 7.070 -7.742 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 -6.758 2.693 -1.677 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 6.361 -3.845 1.949 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 1.397 -5.558 3.090 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 -16.398 -13.023 16.637 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 -3.310 2.998 0.663 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 4.284 3.029 0.524 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 -2.921 7.174 11.589 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 2.054 -1.223 -0.369 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 3.201 -15.968 -13.894 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 2.983 -14.123 -8.623 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 -0.917 1.528 5.103 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 -4.595 -2.306 -4.882 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 -9.376 -2.312 0.768 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 0.749 0.933 -0.009 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 -2.412 2.661 6.845 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 -11.400 0.614 1.850 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 3.962 0.151 -2.116 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 8.108 2.803 11.389 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 28.288 8.515 -3.818 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 -1.905 -1.296 -3.254 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 -1.742 1.673 -30.673 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 -5.056 -0.896 10.202 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 -6.720 7.748 -4.632 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 -3.500 16.852 -0.206 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 9.565 3.764 -19.131 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 -6.993 -5.777 4.674 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 -7.053 -2.142 -5.182 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 -0.112 -8.353 4.600 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 -2.407 -3.672 -4.833 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 9.053 -19.131 21.308 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 -16.907 -3.666 12.419 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 -1.081 -3.326 2.329 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 4.845 2.693 8.819 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 -4.419 -2.617 2.511 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 0.357 0.678 3.344 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 6.825 3.117 -5.610 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 4.670 1.364 -1.310 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 -7.263 0.666 2.216 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 -7.852 -0.484 1.489 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 -10.384 -15.761 -6.595 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 1.559 2.993 0.238 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 33.563 18.240 -8.588 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 35.220 -12.851 -15.365 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 0.851 3.487 -1.685 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 5.986 10.322 -24.106 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 1.483 11.109 -19.727 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 -0.156 -1.774 1.954 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 11.618 -15.353 5.328 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 -3.532 1.380 11.043 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 -3.585 2.806 -4.191 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 4.219 -20.844 -16.953 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 -14.989 14.870 3.805 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 0.498 -1.376 -5.887 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 -0.482 -11.460 -7.909 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 2.026 3.324 3.823 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 3.659 2.574 -5.040 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 0.271 14.356 -15.259 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 3.781 -4.222 15.158 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 -2.102 4.783 -2.103 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 5.776 11.054 8.195 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 10.205 7.597 -8.804 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 1.586 9.470 0.455 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 16.602 14.001 30.388 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 -15.866 8.380 14.801 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 5.575 -4.813 2.970 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 -2.939 4.634 -23.153 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 6.219 19.343 18.884 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 -0.395 0.286 -3.411 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 12.456 13.283 -27.019 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 20.137 -4.350 12.597 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 -2.676 8.622 -3.469 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 -5.236 18.500 -37.393 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 -14.511 -2.904 21.267 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 -3.859 8.101 2.016 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 -5.566 11.846 -15.824 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 -8.403 35.388 14.199 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 0.187 -2.624 2.041 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 -4.505 -13.300 -2.903 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 3.370 1.079 2.067 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 0.210 -4.361 -2.012 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 9.960 13.322 14.037 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 -2.632 -8.751 -6.727 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 -0.033 6.745 -8.080 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 -8.869 13.260 -3.798 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 6.567 6.627 -8.929 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 3.351 -4.049 1.603 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 12.209 -11.360 1.623 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 5.394 -4.678 -5.295 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 3.132 -3.561 -4.149 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 -2.347 -5.020 -5.084 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 33.022 8.996 -14.178 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 1.272 -5.559 4.833 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 3.930 -0.727 8.372 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 0.342 -7.363 6.730 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 2.760 -4.364 -0.773 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 -14.490 -5.184 1.885 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 14.367 -3.357 -2.084 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 0.126 -4.262 -0.772 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 -1.167 0.108 15.651 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 5.630 -2.199 23.493 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 4.259 -4.665 0.839 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 0.180 -3.358 4.847 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 -0.046 -9.574 -4.920 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 -0.922 0.731 -7.381 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 -5.343 1.470 0.139 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 -10.840 -3.712 -22.604 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 -1.394 5.539 -3.633 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 -16.453 -10.637 1.966 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 6.129 3.118 -20.406 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 0.017 0.524 4.359 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 -1.363 -6.205 15.459 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 13.519 15.248 5.822 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 -4.069 1.547 -7.335 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 -2.546 1.538 -7.549 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 -11.904 0.649 -5.833 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 -0.036 -1.835 2.658 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 7.171 -21.309 -9.139 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 5.845 7.775 7.822 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 1.044 4.567 5.925 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 -27.548 8.145 -3.903 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 19.591 -14.470 -27.077 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 3.662 1.247 4.153 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 5.332 0.603 5.588 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 -1.917 -1.744 -2.270 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 -5.233 -1.735 3.652 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 12.808 -2.386 18.307 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 -17.522 9.601 -9.306 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 -5.353 -4.117 1.466 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 -14.770 -32.919 0.518 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 -8.005 2.111 3.201 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 -6.354 3.969 0.007 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 -3.246 -0.653 -0.933 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 6.386 1.562 -0.799 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 -2.449 -6.702 -2.815 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 9.401 18.020 18.318 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 -4.935 14.758 -2.889 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 -3.447 3.195 -0.390 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 -0.202 -8.551 -5.368 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 -1.988 3.842 -10.867 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 -3.045 2.283 -0.359 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 3.905 1.613 -12.930 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 9.488 -2.225 7.744 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 -1.236 -1.232 3.264 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 -18.234 -10.791 16.423 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 0.651 2.925 15.031 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 6.037 -3.184 2.840 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 17.650 -21.680 5.042 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 -3.804 8.696 8.859 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 3.892 -0.469 -3.421 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 -9.077 -3.050 -19.055 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 5.969 -29.777 3.950 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 -3.484 -3.436 4.578 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 -8.503 -8.701 -10.369 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 3.966 10.723 1.680 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 5.579 1.974 -0.210 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 -1.501 -14.193 12.147 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 6.434 8.882 -6.463 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 -4.421 -2.932 0.852 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 -23.437 -14.096 -20.249 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 -37.623 3.009 -4.568 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 -1.246 -1.096 -1.216 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 -4.392 3.210 23.077 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 -6.483 20.867 -11.996 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 -4.336 4.683 4.169 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 -1.569 10.909 5.246 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 -6.990 5.325 2.375 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 6.454 -0.504 -2.480 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 6.291 -0.593 1.929 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 4.393 -1.179 0.939 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 -1.323 2.371 5.955 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 -11.576 -22.518 5.100 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 0.884 12.471 10.167 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 -0.406 -1.943 -3.772 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 -15.814 15.256 11.642 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 -22.226 -2.867 1.358 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 -5.548 -1.015 2.704 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 16.247 -20.780 8.481 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 3.132 -7.440 1.449 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 5.708 4.659 -1.780 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 6.394 -1.009 -2.713 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 2.787 4.944 -13.450 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 0.785 -2.059 0.858 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 -10.311 6.463 -12.804 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 15.630 -8.890 -3.845 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 -1.497 -2.832 4.909 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 10.043 -8.390 21.077 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 -4.953 16.309 -2.734 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 -0.276 -3.696 1.337 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 19.904 -4.505 -7.093 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 -10.562 2.580 -15.448 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 -2.978 -1.950 -1.849 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 11.460 -1.149 -5.913 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 3.254 -2.782 -10.172 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 0.393 4.801 -7.235 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 -14.124 -9.131 -10.077 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 -13.354 11.524 -0.199 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 0.872 2.853 -0.469 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 26.072 -6.154 -5.684 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 -5.258 5.655 -1.230 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 -2.616 5.586 1.334 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 -2.737 -12.647 -26.801 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 -5.859 -6.589 -8.818 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 5.940 0.859 0.012 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 -11.313 12.527 0.123 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 7.901 2.176 6.921 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 -5.978 -0.931 -6.180 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 -2.149 25.839 -20.266 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 5.595 -0.724 11.388 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 1.634 2.088 1.788 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 -4.798 -5.917 -23.456 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 19.327 16.312 -6.001 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 -2.825 1.022 6.778 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 -3.720 25.556 0.131 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 0.719 -4.014 6.817 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 1.622 0.759 2.211 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 -10.882 13.215 -5.541 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 -0.237 -14.093 -9.882 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 0.089 -0.103 10.305 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 -2.047 -7.749 5.286 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 4.085 10.947 18.308 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 -8.577 -8.288 1.090 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 5.363 19.521 -7.450 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 8.373 -30.415 1.084 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 1.417 5.429 -2.367 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 2.752 32.071 -10.893 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 -16.353 4.534 0.271 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 4.050 -1.788 0.456 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 -1.238 -2.009 -0.884 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 -14.740 -8.168 2.295 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 -4.339 -3.674 -0.644 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 -9.048 13.212 3.368 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 -11.975 -14.457 6.302 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 -3.674 4.720 -2.966 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 11.043 -10.857 16.877 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 6.006 -12.553 5.421 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 2.078 3.486 3.267 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 1.930 13.415 5.129 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 -1.825 8.569 -25.247 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 -3.237 -4.409 0.865 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 9.431 -9.622 14.117 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 16.691 -26.343 -14.776 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 -1.811 2.135 -2.771 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 -5.027 4.828 -4.285 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -2.671 19.670 -11.731 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 -4.132 -4.389 0.939 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 -5.137 -9.706 5.065 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 7.102 10.192 -21.730 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 9.105 1.646 2.436 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 -19.324 3.459 -3.062 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 -25.194 4.005 -3.463 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 -1.280 -1.286 3.389 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 1.429 0.612 18.731 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 6.167 -6.461 17.839 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 3.171 2.334 1.893 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 13.867 14.290 0.216 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 4.726 4.780 -15.165 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 -4.344 2.864 2.066 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 -3.286 7.439 -6.004 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 -11.888 -8.264 -17.340 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 -2.334 1.972 4.644 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 20.920 -8.462 -5.581 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 5.416 -11.623 -1.174 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 4.029 4.775 -4.976 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 7.998 -12.687 -9.927 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 -9.304 -14.610 5.975 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 -1.940 2.143 -3.433 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 18.197 -17.131 14.766 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 3.547 -12.476 -10.427 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 1.114 -4.260 5.361 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 -2.210 -7.897 11.100 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 -7.468 -18.687 27.593 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 -7.003 0.875 6.072 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 -21.903 -31.247 18.916 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 4.340 3.894 4.302 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 1.302 -3.240 -0.760 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 7.861 -2.383 13.153 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 -7.221 0.544 0.836 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 -3.104 2.491 -2.536 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 0.782 -3.619 21.877 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 -11.309 0.843 -14.176 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 -3.621 3.197 -1.301 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 7.286 1.991 16.963 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 8.871 -19.937 29.488 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 0.150 2.378 2.631 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 11.455 -6.540 8.914 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 -11.971 -10.633 3.620 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 -4.251 -6.795 -5.775 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 3.952 22.344 18.067 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 -8.366 -10.360 -10.051 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 3.654 -0.393 -3.939 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 -6.414 14.500 -15.484 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 10.932 7.109 2.588 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 -1.109 1.803 -7.266 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 0.290 5.731 -9.461 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 -2.510 1.079 -12.219 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 -5.428 -3.163 -1.816 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 -18.411 11.613 3.563 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 6.248 2.952 -8.792 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 1.163 -7.280 -2.823 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 2.157 13.147 -2.048 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 22.156 -6.476 -16.597 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 2.879 0.525 -4.473 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 5.707 -4.327 6.037 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 2.076 13.528 -6.987 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 0.792 0.254 6.045 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 -10.342 -1.341 10.190 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 10.271 3.548 2.974 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 8.128 7.055 -7.007 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 8.741 -21.289 -5.816 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 -3.195 -14.502 7.337 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 -0.027 2.007 1.854 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 -11.889 -18.476 5.960 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 -9.579 20.186 18.989 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 -0.077 1.689 7.546 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 9.052 4.953 -30.431 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 -19.761 -27.873 -17.984 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 -3.253 3.559 -7.368 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 -0.091 16.565 -19.394 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 -23.160 2.009 -5.517 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 4.268 -4.044 0.404 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 -4.108 4.594 7.114 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 5.354 3.784 -4.316 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 6.411 -5.214 1.400 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 4.580 -5.535 -5.795 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 5.675 -5.769 -5.866 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 -2.670 0.856 5.264 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 -4.284 -1.585 -12.068 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 2.958 -4.937 -11.782 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 0.197 1.561 -2.094 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 1.776 -7.405 -9.376 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 16.380 23.003 -7.446 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 0.398 -1.178 -1.518 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 -0.244 -2.578 -3.936 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 2.157 -15.365 -16.806 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 -0.306 3.747 6.033 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 0.426 9.009 -12.837 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 3.939 11.172 11.746 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 4.982 -3.191 1.719 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 5.437 1.145 10.434 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 27.919 30.636 -9.108 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 1.067 -1.916 -5.714 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 -1.396 -5.029 1.121 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 41.945 -2.904 17.527 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 2.116 -6.397 -4.435 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 -1.546 -3.689 2.715 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 10.669 -11.286 -2.823 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 0.398 1.546 -1.666 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 -13.112 -8.540 -4.865 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 -9.480 10.791 -1.040 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 4.933 -1.351 0.871 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 -0.138 0.508 9.925 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 5.251 0.230 -13.290 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 1.615 2.301 0.405 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 3.908 8.752 -0.479 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 4.863 7.461 4.128 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 4.988 0.227 0.626 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 13.466 6.927 17.544 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 30.325 -3.568 21.047 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 -2.287 0.594 9.266 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 2.794 5.323 -3.085 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 -6.329 10.131 8.505 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 -0.082 -0.129 3.972 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 -23.271 13.206 7.011 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 -33.602 11.690 -21.186 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 -4.070 -2.321 -0.068 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 -2.751 -1.476 -0.637 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 39.159 12.479 14.989 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 -2.915 4.383 5.424 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 0.912 -22.370 10.011 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 2.197 -8.976 -13.882 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 -4.162 -5.633 4.279 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 -4.362 -11.093 -29.613 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 26.016 -24.127 -17.172 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 2.258 -2.821 0.811 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 -3.541 -6.756 -1.163 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 -7.888 -8.464 -1.224 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 1.107 4.751 2.179 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 -0.744 7.438 10.447 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 -4.993 -14.880 1.371 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 -2.799 1.345 0.551 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 11.695 7.135 17.956 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 1.891 -5.325 4.370 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 6.903 -2.533 3.306 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 3.921 -7.748 9.545 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 18.887 -10.882 7.440 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 5.637 -0.007 3.126 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 -11.086 -1.241 -11.674 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 -6.324 -16.349 0.537 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 -1.899 6.820 6.648 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 9.631 0.554 7.040 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 -14.726 -2.820 18.711 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 6.420 1.086 -5.707 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 6.750 19.123 -9.062 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 6.148 -29.202 7.273 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 2.101 -0.001 -9.266 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 7.855 -1.981 -7.794 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 -15.716 5.479 -13.874 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 -0.091 -8.380 5.980 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 -4.781 -7.258 19.865 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 -4.524 -19.191 35.310 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 2.393 -4.352 -0.616 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 -0.937 3.008 0.124 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 1.679 -2.733 4.087 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 1.658 3.200 0.379 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 6.366 -17.269 16.723 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 7.223 -2.611 -25.622 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 -1.777 -2.090 -1.943 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 -12.612 19.521 6.226 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 -13.344 -16.138 -5.431 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 -3.263 -0.840 -3.175 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 -4.130 -2.270 1.079 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 22.758 13.601 -19.692 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 3.942 -3.606 -0.796 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 -13.948 -2.316 -13.283 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 3.093 10.320 -13.246 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 3.761 -1.235 -0.694 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 4.378 -3.721 -11.238 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 -3.733 7.779 3.610 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 -3.510 -3.938 -1.927 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 -9.350 6.921 1.003 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 0.330 16.876 18.989 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 1.523 1.068 3.562 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 26.094 -4.567 10.322 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 12.423 5.237 -7.000 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 -1.465 -15.340 -2.365 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 2.560 -11.312 -0.343 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 25.524 -1.463 -11.542 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 0.440 -9.676 -1.843 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 5.941 -9.889 0.587 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 3.389 -4.524 -14.042 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 5.695 -1.553 3.068 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 4.275 5.110 11.705 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 -20.207 -9.070 -1.371 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 1.135 2.759 7.639 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 -11.956 14.204 13.330 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 9.301 -9.906 13.311 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 -4.485 -4.010 1.546 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 -26.786 -12.656 1.441 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 0.524 -7.279 16.842 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 -4.451 -2.482 0.679 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 -14.350 5.917 -15.087 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 -2.590 16.696 12.097 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 7.134 0.803 -0.546 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 5.358 1.880 15.826 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 -2.721 -6.830 7.417 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 6.977 1.692 -7.184 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 20.011 1.294 -30.301 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 14.130 -7.903 16.135 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 -0.268 -0.301 -4.770 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 20.718 -12.432 13.285 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 -14.636 22.434 5.334 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 1.429 -1.635 6.102 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 -13.784 -0.914 9.586 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 -2.177 -3.243 12.060 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 3.730 -6.089 6.318 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 18.890 -2.045 25.287 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 5.294 -8.066 14.308 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 -0.423 -10.333 4.479 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 3.172 -6.623 -0.861 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 27.712 16.801 1.168 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 -4.568 -2.519 4.564 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 -0.499 2.716 -0.084 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 31.661 8.430 17.067 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 -1.803 2.103 3.268 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 -2.281 -5.342 -0.534 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 -6.280 2.806 11.480 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 -4.506 -6.851 -1.158 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 -8.800 4.046 7.810 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 0.551 -10.090 -2.201 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 0.525 -6.015 1.482 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 0.247 -11.311 -5.751 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 10.412 1.858 10.880 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 0.157 -3.792 1.538 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 -4.480 1.250 -9.266 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 11.240 4.447 0.570 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 5.683 6.027 -1.313 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 8.359 7.180 8.708 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 17.815 0.594 1.030 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 -4.741 1.303 2.170 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 -10.219 -0.362 -0.866 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 -10.496 0.712 -5.588 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 0.606 1.085 -2.185 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 4.420 5.453 -3.266 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 -13.210 -14.360 -25.693 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 -3.948 -2.808 0.402 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 -31.155 -28.692 -10.410 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 -23.901 -2.195 -1.500 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 -8.241 -1.689 1.417 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 -14.609 -4.811 -7.540 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 -19.198 16.390 2.772 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 -4.095 3.776 7.103 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 2.856 12.791 -0.634 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 -1.166 -4.112 -0.895 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 -3.010 1.977 -1.312 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 -1.622 0.973 13.212 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 -13.306 -13.404 -8.843 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 -0.433 -4.862 4.744 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 3.610 -12.465 1.166 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 9.014 -22.930 -3.831 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 0.261 9.870 -1.048 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 14.899 2.791 -4.371 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 -10.553 -0.114 -2.103 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 -6.812 -2.593 -3.604 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 0.893 6.343 1.130 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 -12.439 -9.815 -14.374 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 -7.245 0.755 -1.041 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 -21.899 -0.860 -2.533 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 0.583 3.410 -0.263 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 -1.339 -3.697 -2.214 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 -6.630 -0.787 -4.377 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 -0.856 -0.419 4.054 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 0.644 7.206 0.815 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 3.418 7.648 15.024 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 -6.117 6.761 -6.200 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 6.503 1.293 4.025 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 14.565 10.837 -1.850 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 3.147 -13.468 -11.292 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 -0.153 -3.771 -9.163 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 -10.727 0.969 -9.764 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 -2.293 0.652 -24.326 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 1.608 -7.375 2.051 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 16.483 -6.324 2.348 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 -2.463 5.728 -8.135 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 10.323 -1.745 -11.595 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 2.912 21.907 -13.362 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 6.114 9.313 -12.904 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 -3.755 0.053 0.250 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 -1.516 6.394 -6.834 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 -8.634 -2.848 1.477 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 -4.779 6.368 2.560 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 4.846 7.207 -0.382 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 -3.984 -11.316 1.103 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 -6.639 -1.661 -2.332 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 -8.014 -1.015 -11.699 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 1.831 5.419 -4.527 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 -2.972 5.001 1.542 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 10.263 5.709 15.613 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 7.472 -14.143 -13.195 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 3.586 -3.009 -0.839 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 12.931 -4.972 15.612 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 2.914 -20.622 -8.268 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 -3.821 -2.383 -0.987 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 -0.317 -20.067 -7.254 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 11.756 5.172 -28.706 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 4.232 3.067 -5.467 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 11.610 -13.427 4.613 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 -12.262 7.501 5.774 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 3.508 -4.551 0.711 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 4.061 12.966 2.653 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 -3.872 10.582 6.299 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 4.825 -5.995 3.200 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 7.806 -13.178 11.490 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 -2.627 -12.071 -3.528 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 -2.484 0.197 1.228 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 -9.726 9.551 -9.632 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 -11.323 2.068 13.954 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 6.369 8.539 1.037 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 11.793 5.671 0.490 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 10.257 11.107 1.020 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 4.743 0.998 -2.469 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 15.718 -21.329 5.562 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 9.761 3.424 8.824 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 5.961 4.208 -3.189 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 11.621 -2.322 1.243 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 12.374 6.486 -8.512 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 -2.631 2.325 -5.982 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 -19.178 13.164 -17.301 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 17.767 5.894 -19.206 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 2.959 -4.532 -2.092 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 -8.697 11.622 0.749 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 -10.656 25.450 9.538 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 8.608 -4.468 2.561 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 2.436 -8.514 -10.782 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 25.842 -7.407 22.444 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 0.303 -2.778 3.859 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 13.549 9.783 6.230 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 -8.925 -17.709 -17.969 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 3.373 -7.096 1.181 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 -3.247 7.384 15.840 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 -11.435 -15.198 2.500 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 10.368 -4.581 -2.248 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 5.478 -0.092 -0.964 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 13.183 -6.955 2.645 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 -5.211 0.393 4.403 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 -11.235 -0.907 -13.876 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 5.364 20.128 18.755 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 -0.497 -1.029 6.057 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 7.223 7.036 15.607 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 23.706 14.282 -3.792 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 -1.549 1.005 -0.843 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 13.783 16.639 4.746 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 2.148 -6.881 2.835 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 5.080 1.718 10.248 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 -10.471 0.737 8.570 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 -26.422 -2.319 9.585 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 3.401 -1.343 0.700 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 1.159 -19.401 -2.038 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 -4.233 4.668 12.740 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 3.323 -1.167 -0.500 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 8.429 -2.397 14.308 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 9.544 -11.610 -8.649 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 2.451 -2.395 1.260 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 -2.912 4.769 -5.361 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 7.147 -10.384 -6.147 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 -6.265 4.086 -5.116 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 5.990 3.688 6.655 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 2.781 13.984 -6.853 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 -0.430 -2.994 -6.615 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 -14.364 2.575 15.023 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 -0.729 -13.151 7.933 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 1.212 6.563 -7.260 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 10.388 -33.713 -15.933 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 -1.462 -14.664 -13.965 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 1.786 1.946 -4.120 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 0.245 18.860 -4.123 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 23.764 -18.064 1.234 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 1.187 3.288 4.108 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 4.779 3.418 5.413 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 -4.087 5.590 -10.923 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 9.568 1.642 9.116 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 6.973 5.934 7.477 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 3.067 2.481 19.403 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 -2.429 -1.338 0.419 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 1.781 15.681 32.107 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 -3.334 -0.192 16.664 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 -1.698 0.960 -2.108 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 -8.531 4.224 -3.408 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 0.273 -3.809 -6.957 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 4.564 9.115 -7.810 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -4.676 0.699 -4.660 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 0.110 9.049 -3.812 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 4.505 -1.498 -4.210 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 -9.037 -3.956 -5.280 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 12.746 -0.449 -3.872 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 1.365 -3.168 -2.921 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 -6.448 -0.854 -2.298 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 2.177 -7.943 -5.847 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 -2.210 0.623 1.594 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 22.148 4.479 -27.911 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 -19.807 -1.133 6.386 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 1.461 -1.508 1.620 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 2.871 -25.950 6.748 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 3.451 12.239 6.167 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 5.063 -3.935 -0.520 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 4.993 -9.065 1.311 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 0.946 -8.862 -0.110 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 0.932 5.671 3.316 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 -5.104 -3.013 29.541 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 10.737 14.700 -19.217 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 1.908 -0.623 0.742 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 16.223 11.011 9.954 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 9.606 4.600 7.000 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 -5.628 0.734 0.442 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 0.589 -10.544 -0.996 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 -6.342 19.120 -14.590 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 -7.351 -4.294 5.282 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 1.693 -4.762 12.921 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 6.932 -6.377 17.842 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 0.082 8.521 6.859 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 1.581 3.588 9.687 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 -5.240 6.374 11.745 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 -2.303 -4.090 -1.714 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 0.792 24.641 26.775 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 -3.839 12.429 -23.495 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 -0.414 4.703 -1.247 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 11.467 4.440 15.905 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 2.583 -7.841 -4.917 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 0.661 0.849 -5.508 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 29.016 -0.892 -4.990 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 -15.076 1.040 -4.513 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 -2.947 0.934 1.053 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 -10.125 1.025 2.716 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 -13.987 -3.200 6.818 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 -5.447 -0.429 1.471 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 -5.114 2.482 1.415 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 -0.602 33.397 13.677 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 -2.336 3.757 -1.491 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 -0.147 8.773 -5.546 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 2.268 3.547 2.267 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 -0.910 6.196 -2.137 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 -0.104 10.155 -28.654 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 20.426 19.208 8.786 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 -0.458 5.328 -1.704 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 0.945 3.695 -0.721 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 -5.952 7.352 -7.078 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 -1.361 0.701 -2.953 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 0.643 -3.855 -3.884 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 13.191 -25.110 -0.615 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 2.099 2.119 -2.194 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 -5.546 6.169 3.638 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 8.960 -30.017 -20.012 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 8.331 2.235 3.074 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 13.686 0.751 5.405 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 12.592 -5.793 21.144 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 -2.245 2.381 6.274 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 15.443 2.428 -9.693 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 10.386 -1.671 0.475 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 6.789 0.151 0.615 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 1.198 3.916 -4.797 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 -2.764 0.599 7.597 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 -1.731 -5.643 2.865 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 -3.434 -4.387 -1.633 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 5.846 -9.257 15.503 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 6.957 -0.135 1.352 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 11.322 20.833 -13.843 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 11.346 4.654 5.850 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 2.938 -1.050 -5.766 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 0.203 1.685 -6.945 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 -2.850 -2.167 -8.957 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 -4.626 -3.792 3.220 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 17.762 0.179 2.047 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 -0.227 -14.415 -3.931 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 3.861 -2.412 -2.335 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 3.577 14.505 4.302 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 7.645 24.625 6.500 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 -1.899 0.704 -0.532 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 3.569 -1.898 -7.158 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 3.488 0.905 -0.655 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 -2.302 -0.888 2.679 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 -14.512 -9.225 1.315 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 8.091 -7.001 -0.885 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 1.187 -0.165 -0.175 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 11.009 2.088 5.369 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 1.124 -0.952 -1.027 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 0.983 -1.883 -3.382 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 -6.897 -4.988 20.890 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 15.463 11.597 -2.725 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 -1.630 -2.351 -7.373 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 14.540 -15.325 -23.541 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 6.745 -9.217 -26.316 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 2.350 -2.020 1.062 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 35.255 7.808 7.537 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 2.687 -11.152 13.587 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 1.831 2.572 1.036 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 -2.706 17.381 -42.159 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 6.672 -16.731 -6.911 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 -0.017 -0.006 1.663 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 2.431 6.771 13.181 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 5.425 30.993 19.174 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 -1.256 -0.649 -0.928 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 11.988 -2.149 4.530 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 3.107 8.989 9.218 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 1.766 -0.450 5.563 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 20.231 7.520 -21.151 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 -12.891 1.178 -2.123 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 -7.382 -5.555 0.368 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 -13.971 13.467 -3.149 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 -19.815 -15.966 2.273 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 1.667 -3.422 -3.953 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 8.882 2.232 17.566 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 3.169 7.804 -11.023 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 2.338 -8.151 4.027 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 4.794 7.082 -3.282 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 -2.968 -5.294 16.500 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 1.557 1.693 2.622 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 -4.490 10.550 -3.469 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 20.378 5.595 -8.730 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 -0.243 -1.302 5.346 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 -7.651 -14.512 12.175 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 -11.772 4.358 -5.752 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 4.720 4.817 -3.031 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 -2.549 2.498 -1.719 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 24.702 3.754 -27.916 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 -9.146 -4.259 3.815 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 -13.753 -5.080 -16.068 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 13.214 -0.335 -0.227 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 3.872 3.720 -3.908 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 19.536 -7.464 -12.681 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 -1.671 -9.881 22.526 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 5.530 -0.860 -3.547 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 -4.129 -4.956 -1.374 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 -2.126 -9.390 -8.353 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 2.268 -6.392 -0.653 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 -5.546 18.044 18.610 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 -2.625 -4.742 -0.351 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 0.469 -3.669 0.869 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 10.808 -8.034 -1.969 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 0.071 -5.370 -9.135 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 8.216 0.564 2.208 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 3.711 -18.021 -6.756 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 -1.165 2.996 8.735 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 0.325 3.207 3.671 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 0.268 1.732 3.645 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 -4.908 -7.441 13.624 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 -2.892 -3.685 4.934 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 -18.214 -7.418 4.246 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 14.132 -22.076 -9.424 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 -5.760 0.580 2.758 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 6.134 7.873 -2.581 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 -7.538 -1.980 6.295 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 1.524 -6.210 2.115 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 11.946 14.410 -5.691 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 9.267 -20.589 -15.528 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 3.056 2.117 -0.681 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 18.024 5.742 -2.632 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 8.715 0.127 4.418 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 0.588 5.468 1.414 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 4.319 -0.002 3.995 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 4.097 -3.522 -2.937 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 -1.820 2.912 -7.610 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 7.935 9.119 2.347 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 -3.323 11.499 12.721 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 -0.147 3.537 -0.900 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 8.168 8.373 -3.478 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 -10.599 -0.512 0.391 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 -2.305 -4.678 2.047 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 8.770 -11.242 -18.406 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 4.213 2.755 11.181 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 -6.623 -3.915 0.014 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 -9.236 4.554 -13.228 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 17.800 18.750 5.247 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 -4.935 -1.313 -3.838 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 -7.678 -18.647 29.816 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 -4.313 2.459 -13.620 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 0.777 0.640 -0.903 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 5.089 -0.007 -1.784 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 -10.094 6.778 -7.815 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 6.587 3.515 0.137 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 3.861 7.726 6.946 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 -2.648 -1.297 0.342 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 -4.253 9.349 11.718 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 -13.882 20.818 11.860 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 -1.666 5.387 2.422 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 7.640 2.475 -0.254 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 -22.844 6.189 1.296 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 -10.225 -2.733 -4.147 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 4.009 -2.777 2.061 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 4.404 -10.895 7.570 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 9.569 3.724 7.059 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 -1.664 2.936 -6.768 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 -9.111 4.466 1.441 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 -1.862 25.744 8.721 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 -4.814 -4.036 -0.336 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 6.091 -8.248 -18.641 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 -11.277 19.059 -4.801 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 -3.576 -5.680 10.603 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 -11.054 17.678 -16.425 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 4.261 -16.548 -1.343 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 3.013 -1.157 -0.537 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 -7.356 -25.327 10.658 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 10.272 14.735 -0.963 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 2.239 -10.963 3.320 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 -1.767 1.640 3.939 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 -3.812 23.105 8.236 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 -7.267 2.819 1.679 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 9.926 -9.052 -5.402 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 14.892 -19.556 -14.031 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 -4.828 1.056 0.731 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 -3.502 4.904 1.422 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 -9.832 -7.048 1.560 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 -2.464 -0.167 1.685 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 15.723 -6.487 13.324 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 -3.360 20.263 -2.281 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 -3.749 4.315 1.540 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 -8.913 17.621 -12.098 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 2.791 10.393 20.820 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 4.504 -3.668 3.642 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 8.936 -7.695 -4.536 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 18.958 -12.561 -20.565 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 2.730 5.554 0.286 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 -9.349 9.147 -2.360 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 -5.859 3.189 6.025 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 -1.395 -0.543 2.412 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 5.881 9.655 -6.918 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 -4.081 10.326 11.553 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 -1.933 4.016 3.953 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 3.752 -36.817 13.833 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 10.835 -5.149 -15.431 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 -1.911 -1.283 -1.956 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 -12.547 -9.155 -3.090 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 -10.641 -6.635 0.357 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 -2.447 1.008 -2.387 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 -7.661 15.415 -10.926 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 8.545 -1.128 3.357 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 -4.183 -0.952 2.541 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 -5.092 -3.811 -9.132 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 -0.756 -7.607 -2.402 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 -1.676 -0.267 -1.376 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 29.854 -8.337 -9.821 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 -12.020 -8.359 -2.416 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 -1.920 -2.576 -0.350 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 8.396 -5.369 -3.079 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 1.521 -4.157 0.306 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 1.636 -1.458 -0.591 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 -4.989 24.384 -10.472 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 -5.729 -24.737 21.529 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 1.675 3.202 -4.123 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 4.116 3.661 8.448 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 -12.051 -7.453 14.954 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 2.788 -0.292 1.130 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 -1.058 -5.311 3.405 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 -5.504 -9.124 -22.301 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 -5.760 0.667 -1.220 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 13.359 -0.611 -17.599 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 -24.083 -8.318 -11.888 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 4.637 1.628 4.536 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 -0.422 -13.197 1.084 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 -8.119 1.692 -4.894 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 5.688 5.841 -2.881 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 -4.491 -2.164 5.748 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 3.628 -13.191 1.594 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 -2.174 -3.102 3.500 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 2.893 1.446 -6.433 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 -6.039 -12.397 -4.206 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 3.844 6.321 2.620 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 11.070 -1.583 -2.872 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 -11.852 21.171 12.682 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 -2.942 7.286 2.836 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 11.550 11.456 3.863 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 -19.328 1.808 1.041 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 0.905 -0.090 0.165 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 8.307 19.044 25.595 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 8.837 4.654 1.573 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 -2.990 -5.148 6.476 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 -4.481 -4.774 -0.010 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 -8.605 -9.467 2.022 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 -0.601 2.195 -7.007 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 0.911 -5.585 -12.053 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 -5.501 -1.502 -10.606 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 -1.325 -4.226 -4.336 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 -2.704 -14.282 -6.295 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 2.668 2.095 -0.746 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 1.295 -8.584 4.300 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 9.294 11.699 4.577 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 -10.313 -10.117 0.411 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 -1.586 2.255 2.622 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 3.621 -4.482 2.146 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 -17.564 10.134 -6.980 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 0.268 -1.068 3.779 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 9.081 3.149 2.429 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 -2.501 1.418 -7.827 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 -5.057 4.972 -5.224 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 -0.687 4.119 -5.708 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 -1.978 4.441 -6.045 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 6.512 6.301 5.363 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 0.895 2.172 2.083 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 0.685 2.005 2.008 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 -3.541 1.338 1.346 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 7.850 23.990 7.464 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 -2.416 4.916 6.498 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 -4.046 -3.964 -4.007 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 -2.797 9.696 -8.300 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 5.404 10.168 -2.798 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 3.886 -4.275 0.369 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 8.809 -13.506 2.608 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 3.692 0.108 2.048 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 -2.952 2.847 -0.815 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 11.791 11.678 -1.821 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 -1.335 13.890 10.080 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 0.810 -7.772 0.284 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 -1.293 -8.656 -3.419 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 -2.585 14.330 -1.897 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 -3.012 -1.174 0.622 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 21.083 15.448 6.479 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 -24.796 -17.863 -6.741 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 1.213 -6.439 0.792 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 27.133 9.267 21.223 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 17.295 -8.817 -27.460 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 2.517 3.005 -3.032 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 2.538 6.572 -3.834 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 17.173 -13.837 9.392 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 1.197 -0.266 -0.025 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 3.761 -1.753 -1.363 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 -2.610 -4.014 -1.427 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 1.519 -1.560 -2.011 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 17.076 -14.485 -4.238 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 -2.808 -7.022 -2.169 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 0.438 -5.357 -0.051 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 -0.424 31.740 -11.965 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 -2.733 5.817 5.570 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 6.077 -0.325 5.017 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 -3.098 -1.018 1.610 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 5.047 7.288 10.185 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 8.107 -1.370 -0.525 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 -14.967 -3.278 -24.701 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 2.420 10.623 22.927 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 4.307 -2.010 -5.172 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 -3.273 5.649 11.614 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 8.060 -9.049 -8.492 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 7.440 4.056 0.335 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 13.882 10.293 -3.610 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 11.585 -2.190 7.061 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 4.411 -0.782 5.086 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 -6.174 -12.313 10.974 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 3.440 -1.529 5.248 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 -0.674 4.075 -1.762 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 -12.250 -1.820 9.282 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 -8.260 2.655 4.088 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 -5.269 -0.993 -6.333 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 6.995 -2.487 -0.299 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 22.969 10.576 4.755 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 2.769 4.821 -1.057 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 4.011 -1.408 -3.219 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 -10.959 -7.223 -10.062 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 5.290 10.262 -3.168 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 -8.369 -1.245 2.085 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 -6.126 -6.570 -6.368 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 1.565 2.535 -2.823 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 3.471 -2.796 -11.795 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 3.608 -0.602 -9.689 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 2.270 -2.521 -2.401 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 0.938 -7.716 -3.887 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 3.501 2.202 -2.556 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 -0.762 -1.547 0.906 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 -2.538 3.467 -0.436 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 -5.084 -18.458 -9.912 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 1.996 5.250 -2.974 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 16.290 -16.475 -26.177 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 -11.102 -15.823 22.834 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 2.455 -2.769 0.774 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 -3.151 -11.000 0.806 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 2.820 -2.454 1.762 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 0.216 -0.408 1.876 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 -5.607 -2.493 -16.069 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 -1.562 -2.307 -9.677 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 3.775 -8.065 4.134 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 -13.609 -18.661 3.397 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 7.891 15.557 -0.039 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 3.605 0.068 -5.900 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 16.515 12.494 18.912 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 -9.921 20.736 24.306 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 -1.146 0.251 2.239 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 11.966 1.626 -11.933 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 -5.169 3.181 -2.900 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 3.923 6.651 3.467 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 -8.214 -2.085 3.431 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 -6.299 -5.208 10.362 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 3.284 -3.350 4.691 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 -6.578 -15.667 22.569 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 1.757 -17.797 -13.171 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 -1.872 1.929 -6.601 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 17.211 3.608 -1.348 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 26.390 -1.658 -24.968 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 1.087 -2.388 -0.982 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 -6.660 -10.108 12.420 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 12.453 32.789 -20.133 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 8.073 -2.423 3.193 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 -1.844 -7.059 4.958 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 8.416 -4.429 -2.916 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 -7.057 -1.842 4.085 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 14.722 -10.110 8.710 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 -17.335 6.378 11.606 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 0.314 -3.175 3.809 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 -9.771 -12.042 -12.233 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 -2.437 -9.077 -9.764 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 -0.158 -6.811 -6.127 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 11.744 -12.488 -33.732 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 -0.012 -7.120 1.586 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 -5.169 2.074 2.358 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 -10.565 -7.471 3.832 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 -10.717 9.757 -0.322 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 -4.124 0.042 3.339 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 15.621 -10.484 9.999 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 11.602 11.601 16.321 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 -0.596 -2.738 0.976 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 -2.015 -6.617 5.405 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 -5.930 5.167 -9.028 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 6.355 -1.427 1.703 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 4.616 0.821 1.962 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 -15.379 -3.331 -0.192 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 -0.567 -3.058 -2.951 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 19.366 1.740 -3.975 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 -3.679 -0.001 14.789 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 0.729 1.949 5.718 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 3.080 -12.404 3.837 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 -0.028 11.828 11.763 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 0.997 1.651 3.767 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 1.674 -0.736 -3.060 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 5.425 7.665 0.819 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 -2.951 2.720 1.121 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 -1.029 -12.521 16.103 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 0.231 -1.611 3.260 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 -3.034 -0.914 -3.463 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 -4.325 -0.889 -14.805 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 -11.392 5.836 -8.830 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 5.259 -5.407 -1.295 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 -12.027 -15.588 7.305 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 28.036 23.001 -5.865 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 -9.983 -1.684 1.784 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 17.826 -10.726 -4.899 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 26.796 -12.751 -7.867 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 4.506 -6.461 -0.589 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 -1.219 16.919 0.276 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 7.128 21.052 0.257 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 -1.772 -4.254 -2.085 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 -4.401 8.839 -21.370 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 13.395 8.624 11.413 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 0.750 -2.523 1.203 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 5.569 -7.476 -0.598 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 1.344 -4.361 0.009 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 0.585 -0.948 2.944 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 -1.586 8.808 -4.255 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 2.177 -18.141 10.634 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 0.764 -4.525 4.612 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 12.095 -7.699 1.535 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 -10.816 1.612 1.649 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 -1.418 0.366 2.812 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 -2.200 7.218 -2.470 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 -3.927 9.527 -3.469 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 -2.344 -1.673 0.864 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 -27.953 2.428 -6.627 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 -13.750 -3.265 -13.128 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 -3.663 4.017 -6.322 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 -8.007 -2.675 -6.399 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 44.200 -21.722 -12.818 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 0.321 -1.895 -4.072 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 -2.888 0.037 -2.623 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 5.041 -11.593 3.559 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 0.957 2.798 -1.650 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 1.771 3.474 -5.340 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 11.749 5.241 -16.278 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 -1.400 -0.830 -1.985 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 -11.206 6.670 -15.326 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 0.816 17.227 -3.486 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 -0.409 -3.107 0.742 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 -20.026 11.786 -5.901 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 2.426 -10.200 -0.839 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 -2.789 -1.697 -5.816 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 -1.471 -1.298 -11.303 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 -6.935 5.111 2.565 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 7.774 2.323 0.911 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 -3.726 22.151 1.806 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 -0.006 17.365 1.348 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 -1.609 5.380 -1.551 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 -5.421 7.021 -9.857 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 23.750 -15.336 14.655 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 0.871 -5.710 3.306 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 9.594 -5.099 1.281 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 -5.373 -26.342 16.143 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -1.958 3.681 -4.743 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 -18.216 8.895 2.749 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 -17.989 5.436 3.747 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 -4.157 2.494 -4.567 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 -24.765 -7.650 -39.116 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 9.598 -16.575 -7.758 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 -2.025 -1.018 -1.393 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 3.885 7.295 -6.048 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 -13.445 4.583 1.759 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 -1.480 2.102 -2.621 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 -16.278 -4.434 1.555 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 13.133 20.224 -5.987 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 3.073 -1.163 3.918 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 7.418 0.986 6.029 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 0.785 -1.154 3.957 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 0.437 -1.737 2.570 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 4.438 6.578 13.643 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 7.077 15.338 -11.174 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 0.436 -1.526 -5.759 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 -5.947 -0.234 -14.972 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 6.602 -7.464 10.819 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 5.014 2.261 2.764 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 5.617 6.821 -17.889 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 -30.239 -0.279 -8.055 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 0.321 2.363 -3.506 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 -5.775 0.130 8.601 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 -4.131 0.524 -0.796 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 6.470 2.357 2.093 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 -4.385 -21.789 12.828 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 -13.169 20.489 1.410 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 -5.395 0.005 -2.383 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 -9.709 -10.394 -1.064 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 -9.337 12.816 -3.759 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 0.374 1.334 1.856 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 -3.108 -2.569 3.410 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 7.923 0.903 14.095 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 -1.127 -3.124 2.687 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 -9.585 8.740 -5.177 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 -7.915 -11.773 -2.868 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 3.643 0.102 -3.892 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 9.673 0.484 -17.459 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 12.699 -0.791 -9.698 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 -1.033 4.696 -5.410 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 -2.556 2.749 -3.894 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 -7.653 0.668 4.141 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 -0.071 4.947 -1.597 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 17.008 21.784 10.094 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 21.725 1.254 18.880 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 3.096 -4.510 0.330 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 0.770 19.507 26.990 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 2.622 -14.295 7.145 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 -5.355 -2.865 1.013 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 -5.218 -13.246 7.819 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 3.633 8.355 4.703 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 2.484 5.575 -2.949 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 3.607 -2.784 1.532 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 -2.244 14.003 4.248 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 3.648 1.632 2.382 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 -23.348 22.620 17.052 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 35.800 13.269 -21.986 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 -0.908 -2.368 -0.534 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 3.754 -1.068 -0.103 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 -4.839 -3.718 -1.391 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 1.214 -4.212 -2.844 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 6.926 -15.364 6.280 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 13.475 2.501 -0.024 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 -1.026 -2.601 -1.779 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 -9.911 5.657 7.530 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 7.688 5.986 -10.227 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 -2.836 0.925 4.481 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 6.750 -8.060 -2.798 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 1.793 -16.185 12.714 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 1.568 1.990 -7.034 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 9.493 3.725 6.630 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 -3.990 4.874 -14.485 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 1.445 -5.800 5.153 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 12.414 -0.301 5.794 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 3.637 -4.535 1.448 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 -4.364 -5.266 4.037 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 -0.273 -8.218 -2.161 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 -6.433 -0.142 15.214 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 -6.515 -5.678 0.087 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 5.528 -20.404 -23.852 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 -11.039 -2.180 -5.104 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 6.149 4.932 4.735 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 10.526 1.208 7.403 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 21.166 9.315 4.670 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 -7.082 1.542 -2.421 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 -37.088 1.321 1.089 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 21.515 -17.944 7.348 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 -1.886 1.083 1.689 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 -1.939 22.206 8.256 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 27.231 -0.735 -5.478 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 -1.746 1.051 0.324 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 14.407 -17.791 17.662 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 -10.059 -21.972 9.917 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 -2.066 0.474 0.240 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 11.325 15.619 2.759 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 -23.472 12.598 -13.258 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 -0.095 -1.751 -0.647 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 -0.700 5.657 4.653 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 -13.077 5.046 8.193 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 -10.290 7.357 2.842 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 11.719 -18.288 22.050 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 -6.145 -0.697 10.864 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 -1.889 -3.240 1.343 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 -10.562 -3.538 43.472 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 -2.102 -15.650 9.045 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 3.119 2.803 1.132 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 10.282 5.462 1.481 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 -7.690 -2.306 1.231 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 -2.753 -2.740 -3.657 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 -11.956 -9.022 -1.180 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 17.289 5.370 1.679 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 -0.776 0.551 -2.401 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 1.852 5.786 0.338 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 -2.502 0.444 -1.180 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 -1.104 3.964 3.855 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 0.506 7.055 -5.656 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 9.336 -4.685 0.213 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 4.672 -5.214 -1.236 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 1.807 -14.163 1.313 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 12.260 11.834 7.795 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 0.966 0.751 4.077 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 12.757 11.001 -33.613 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 -12.997 -5.308 -21.686 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 -0.677 -4.583 -6.499 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 3.607 -6.747 -17.729 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 -12.045 -24.906 8.474 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 -1.772 6.271 -0.663 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 4.960 2.497 0.985 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 -5.144 14.718 -1.912 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 -1.122 -8.393 -4.195 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 1.528 5.740 -2.729 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 -7.763 -9.771 -8.165 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 -0.923 1.739 -2.156 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 1.502 9.903 -12.778 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 2.277 -16.044 -3.644 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 -10.939 -6.670 1.376 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 -16.565 -9.122 -3.197 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 -6.404 -3.299 -3.496 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 6.603 -0.763 -6.269 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 -9.476 7.862 0.173 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 -10.281 27.670 -12.051 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 0.255 -3.871 -5.605 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 -10.041 -14.572 7.126 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 0.521 2.586 6.006 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 -6.672 4.399 -4.207 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 2.558 -1.964 4.735 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 -4.713 3.722 -4.381 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 -4.101 4.372 -3.807 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 16.860 0.816 -4.141 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 -19.410 20.739 -18.682 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 3.649 -1.939 2.672 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 -5.872 14.295 19.586 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 11.067 7.632 -29.387 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 3.908 1.095 3.593 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 -8.049 15.037 19.090 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 -10.793 -0.563 -16.319 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 -0.294 1.707 1.671 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 -8.695 19.915 -13.467 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 -17.492 5.664 -10.689 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 -0.105 -6.522 4.754 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 7.247 0.869 11.574 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 -6.634 1.555 -1.245 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 -0.179 1.994 -2.084 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 8.138 -7.000 4.783 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 2.754 11.078 15.102 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 -5.819 -0.283 2.572 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 12.522 -9.427 15.410 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 -13.150 12.605 -19.705 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 1.046 9.042 -1.101 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 -0.038 15.804 0.969 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 4.344 9.698 -4.308 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 -0.683 7.699 -3.237 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 -18.519 19.427 5.989 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 -17.721 -0.844 -1.931 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 -3.239 2.697 -7.767 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 -8.562 13.719 0.331 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 5.408 6.405 -2.531 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 -3.305 0.187 3.224 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 -5.024 -3.610 -2.022 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 -5.452 5.586 1.579 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 2.126 1.347 1.152 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 -6.288 -5.842 0.060 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 -2.246 12.621 -2.191 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 1.467 -0.576 -0.903 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 -1.445 -0.951 -9.755 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 -9.956 -5.276 3.660 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 -0.423 -2.124 0.387 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 1.833 -5.712 6.345 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 -13.202 3.437 -7.825 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 2.852 -5.581 4.270 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 3.280 10.355 2.975 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 -10.505 -16.390 1.201 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 4.251 -10.437 0.237 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 9.747 29.757 7.114 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 7.648 12.138 3.891 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 -3.360 3.154 2.644 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 16.851 19.495 -13.120 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 -2.093 11.324 -1.459 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 -0.062 5.860 1.964 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 11.092 12.873 4.455 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 1.405 5.811 2.811 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 2.948 -3.022 3.933 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 3.212 -3.467 1.631 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 -17.623 2.450 -6.466 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 1.228 2.289 -3.636 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 22.224 21.675 -8.340 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 12.410 -16.526 5.125 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 4.065 0.152 2.083 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 -13.434 -11.641 -4.793 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 -3.976 -6.522 -0.454 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 -5.120 2.931 10.319 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 9.255 14.823 20.912 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 -12.610 -13.819 -12.215 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 0.176 -3.058 -3.129 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 16.780 4.302 -3.421 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 3.636 -20.063 9.975 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 -4.409 3.776 -1.717 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 2.565 -6.609 -34.768 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 10.074 -11.621 14.845 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 5.976 1.932 2.563 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 -0.054 6.642 -2.965 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 8.818 -6.426 11.602 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 -4.555 3.547 -2.413 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 6.384 12.619 -6.166 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 -10.631 -10.403 -3.856 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 7.226 -0.356 1.714 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 6.167 3.662 -5.961 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 1.854 1.486 -1.435 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 -3.702 -6.427 5.339 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 -4.470 -21.197 2.185 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 -3.786 -6.447 1.480 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 -4.903 -7.184 -1.113 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 -3.157 -10.256 14.133 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 -17.269 -16.173 -5.531 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 2.015 -1.330 3.899 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 5.063 -1.891 1.386 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 1.491 0.120 4.420 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 5.398 7.900 -1.013 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 7.181 11.527 -34.887 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 -17.629 -17.096 3.605 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 4.569 0.386 -10.530 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 5.962 -1.659 -4.215 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 16.379 24.995 -6.677 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 -2.711 -1.346 -1.531 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 -15.124 2.557 13.534 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 22.502 -16.290 13.559 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 4.942 -2.747 0.800 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 7.312 -2.969 3.716 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 5.912 -2.438 2.333 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 -2.637 -1.398 2.299 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 1.322 -4.209 6.147 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 -7.546 3.719 4.816 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 -0.685 -4.567 -2.383 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 -6.282 6.072 -4.924 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 17.570 15.049 -3.609 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 -7.380 7.406 1.517 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 -12.998 10.331 -21.985 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 6.066 21.735 -0.466 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 -4.198 -0.818 -4.845 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 9.457 -30.019 -22.189 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 -18.093 -7.582 4.928 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 -0.140 0.326 -1.362 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 4.008 19.045 -8.568 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 -16.959 -8.943 -33.176 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 6.261 0.604 -2.905 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 -0.634 2.856 13.858 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 -3.027 2.365 6.755 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 -5.681 -1.235 -0.230 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 -12.515 9.303 -6.023 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 -6.317 -10.628 3.016 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 -4.199 3.663 2.081 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 -6.717 5.152 9.567 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 -9.563 -2.113 -0.772 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 -5.639 10.552 -3.627 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 -10.230 5.910 -12.989 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 9.099 11.801 8.563 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 0.311 -0.187 3.439 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 -4.355 22.095 -4.202 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 7.979 3.714 -0.555 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 -2.248 -9.628 9.583 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 -10.350 -16.020 -9.783 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 13.753 -20.031 5.361 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 -2.807 -6.150 3.249 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 -11.614 10.747 -4.735 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 15.475 -28.034 -6.497 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 -0.530 1.403 3.312 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 -14.779 -25.387 -23.539 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 -4.117 7.976 0.930 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 -1.299 -4.015 0.438 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 7.875 -11.243 -2.389 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 5.622 1.599 11.666 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 4.872 2.682 -5.929 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 -12.800 -14.484 -0.787 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 14.889 15.533 7.503 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 2.905 -4.698 0.612 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 20.095 -3.312 5.655 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 6.465 -10.266 5.166 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 -1.491 4.130 1.450 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 -21.314 0.467 -9.984 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 -11.379 -7.660 3.616 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 -0.640 2.293 -1.039 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 -3.047 2.235 2.292 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 6.436 9.120 -11.898 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 -9.295 -2.124 6.086 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 -3.752 -4.655 0.991 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 27.300 -29.163 10.258 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 -1.271 -1.454 -0.443 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 -5.762 -0.053 -4.700 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 4.854 -2.321 2.893 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 -0.524 0.769 -3.676 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 -20.398 6.299 4.922 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 21.396 -3.566 -2.345 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 1.680 4.692 -3.774 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 -7.115 -5.054 11.530 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 7.036 4.356 -0.832 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 -3.434 -0.769 5.104 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 -7.469 0.280 -0.205 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 1.145 -6.527 3.958 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 -1.627 -0.710 4.805 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 0.892 -0.372 5.979 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 -8.011 -1.252 6.587 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 7.077 7.579 -1.531 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 5.659 -4.734 17.710 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 23.518 6.694 -25.607 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 8.908 -1.958 -1.086 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 15.335 -2.042 -18.009 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 1.162 -24.228 -1.285 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 -2.647 2.779 2.769 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 -23.727 3.859 -21.317 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 -1.062 -0.669 12.010 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 -1.105 5.750 -2.064 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 -4.922 2.708 -7.942 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 -18.851 5.323 14.802 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 2.511 -0.217 -0.671 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 1.383 1.990 3.325 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 0.876 -17.341 6.595 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 3.647 -3.638 -3.976 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 -23.198 -6.744 22.595 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 16.703 0.696 7.894 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 0.026 6.376 5.709 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 16.582 0.883 -3.629 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 1.428 -2.338 -0.364 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 1.197 -1.778 6.485 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 -4.928 -5.121 5.180 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 21.545 -22.906 15.710 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 0.857 -3.236 1.618 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 6.983 8.616 20.143 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 -10.712 -23.473 -31.654 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 -2.561 -2.937 -7.735 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 12.591 -7.215 -7.615 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 -5.698 -4.717 -4.937 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 -4.684 -2.813 0.497 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 -0.505 -2.924 -5.658 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 0.805 20.961 -25.951 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 3.848 -0.167 -4.860 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 0.851 -5.113 -3.442 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 7.301 -11.769 9.456 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 -0.368 -1.930 4.023 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 -5.140 3.368 18.445 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 16.109 -0.204 22.698 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 -4.155 -7.388 -1.418 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 0.702 -13.035 8.657 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 -0.802 5.889 -15.184 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 -2.138 -0.251 -1.910 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 -7.396 -17.870 7.785 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 0.001 5.693 -8.126 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 1.217 -4.975 0.091 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 -0.289 -1.048 -2.293 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 2.238 2.774 -1.623 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 -4.976 4.580 -0.088 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 -9.044 3.311 1.941 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 -6.853 -13.263 13.575 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 0.656 -2.362 1.552 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 0.826 -22.801 -15.184 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 -23.816 -7.633 0.291 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 5.419 3.592 3.147 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 -1.914 30.370 -5.343 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 -5.373 11.210 0.467 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 -6.872 -5.260 0.761 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 -7.740 -9.877 4.209 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 4.908 -4.972 -6.070 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 -1.386 -1.242 4.085 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 15.690 -1.155 -11.013 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 9.878 5.022 3.077 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 -2.690 -2.748 2.095 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 7.262 -20.709 13.163 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 -4.336 -18.661 -14.867 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 5.478 -0.922 8.216 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 21.979 3.569 22.120 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 -4.819 16.781 5.335 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 -1.996 3.012 5.848 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 4.336 -2.682 17.848 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 0.678 -0.480 2.168 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 -7.646 -7.172 -3.546 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 -1.678 13.875 -41.062 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 -8.227 12.362 8.198 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 -4.030 -0.561 6.036 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 3.688 12.223 12.706 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 -15.387 2.779 23.178 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 -7.075 2.702 0.995 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 -2.646 19.078 -5.692 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 -0.224 -15.552 20.978 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 3.984 2.568 -2.924 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 5.689 2.758 -7.032 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 7.073 4.217 7.387 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 -0.790 2.782 4.060 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 -9.863 4.441 -11.541 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 8.249 -16.007 -3.380 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 -0.227 6.264 0.650 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 -0.458 4.726 -18.864 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 4.335 15.436 -24.153 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 -4.940 -1.680 -1.632 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 -7.512 -1.865 -1.029 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 -12.969 -2.010 -0.065 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 -4.477 1.394 1.909 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 -18.006 -9.963 2.801 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 -4.382 -8.813 7.743 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 3.530 -1.442 -1.461 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 -2.206 4.242 2.470 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 7.181 4.378 -9.140 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 0.064 -4.105 1.121 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 -1.767 -1.851 10.840 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 -3.158 -1.115 32.767 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 3.382 -0.568 -6.697 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 -6.614 -14.706 -5.088 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 -4.458 -5.708 -12.010 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 0.966 -0.317 -3.885 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 -4.240 -3.618 -6.353 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 17.558 5.499 10.701 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 -2.901 -5.965 2.576 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 -3.913 9.309 18.045 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 -5.527 -3.424 6.274 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 2.534 0.098 -1.708 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 -4.118 -0.092 -10.876 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 24.224 -12.418 1.402 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 -2.535 -3.060 2.407 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 -7.941 -1.932 -17.437 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 -4.144 -21.696 33.909 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 3.144 -4.147 -7.525 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 23.417 -10.501 30.218 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 -4.179 -0.686 -30.070 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 0.979 -1.643 -0.512 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 2.213 -4.427 -5.521 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 9.190 -19.409 -28.499 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 3.342 -2.814 6.798 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 -6.086 -1.927 0.107 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 -3.715 0.538 -15.797 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 -1.830 0.468 1.623 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 3.177 2.877 4.222 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 -2.085 -4.344 6.738 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 -3.215 0.725 -5.018 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 -7.397 1.500 2.757 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 3.620 -4.674 -4.618 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 2.193 0.921 -0.899 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 11.762 9.190 1.508 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 0.029 4.963 -10.716 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 5.437 6.187 0.406 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 1.597 -4.138 4.461 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 -4.761 -3.016 6.848 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 -3.842 1.164 6.208 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 -5.994 -0.755 4.342 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 -3.071 -1.566 4.066 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 -2.801 -3.789 -1.177 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 -25.336 4.360 26.016 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 3.341 1.643 -8.981 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 -3.277 4.702 -0.817 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 -26.615 -9.925 1.965 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 27.122 -2.433 -12.994 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 3.349 -4.379 -0.887 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 5.070 -12.664 28.810 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 -0.631 8.209 -0.640 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 -1.483 0.454 -1.663 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 1.083 -5.634 -10.439 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 11.843 -4.761 -4.944 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 -0.478 -2.844 -2.687 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 7.028 -16.692 2.927 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 12.116 6.094 -25.041 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 4.862 -5.150 2.011 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 11.997 16.202 -6.582 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 6.888 -15.511 4.978 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 0.385 -4.682 -2.140 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 4.404 -1.851 -4.935 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 1.132 -10.334 1.270 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 4.536 0.547 7.364 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 0.987 3.523 10.240 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 -21.395 -8.986 -14.404 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 -7.975 6.387 0.036 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 -0.580 7.418 -8.115 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 13.563 6.987 -26.600 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 8.925 -2.987 0.729 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 14.286 2.241 -13.037 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 4.136 -0.721 11.047 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 3.545 -3.114 -6.144 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 -14.201 -7.205 -5.470 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 5.340 1.705 3.349 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 5.523 -1.021 2.839 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 -14.334 -11.694 6.819 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 0.136 5.689 13.568 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 -0.303 -2.221 -3.168 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 0.331 -9.958 28.259 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 27.217 -6.261 -12.291 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 2.876 2.768 2.413 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 10.204 3.272 5.078 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 2.263 3.833 5.108 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 -5.505 1.440 -0.414 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 -18.038 -5.532 -14.423 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 6.118 12.041 -11.439 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 -3.900 5.097 8.001 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 -14.641 16.504 7.947 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 -6.255 -3.192 -5.615 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 0.722 0.746 -0.551 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 16.468 -24.612 -7.584 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 -18.498 6.224 5.677 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 1.317 2.803 4.709 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 -10.006 -0.183 7.265 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 15.368 19.263 0.021 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 5.686 6.656 -10.873 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 9.295 6.813 -15.163 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 5.934 3.420 -12.693 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 4.780 2.600 -0.519 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 -10.640 -1.631 2.468 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 15.563 -10.410 4.301 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 5.170 4.685 0.323 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 6.235 -4.873 5.962 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 7.100 7.285 -2.336 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 0.174 0.617 3.624 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 -9.647 -8.358 0.002 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 6.129 8.129 7.933 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 -2.257 1.949 -0.523 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 -11.971 -18.464 11.170 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 16.659 -2.764 4.985 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 -0.001 -7.095 1.949 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 -13.131 -11.881 11.618 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 0.349 -23.159 -2.641 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 1.739 1.969 -5.853 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 -12.919 1.403 5.390 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 -1.371 4.544 -6.989 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 -0.448 -5.835 2.505 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 -19.406 21.206 1.211 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 0.240 7.927 -7.032 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 -2.830 6.474 -3.894 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 -6.587 11.489 16.240 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 6.641 7.177 1.766 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 1.992 -1.949 1.190 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 15.828 -13.562 -10.867 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 8.991 2.225 1.127 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 -2.649 2.868 -1.968 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 -0.974 2.957 6.228 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 -11.281 10.112 3.150 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 6.047 3.245 -9.988 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 8.868 2.835 -3.914 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 7.197 2.617 -8.892 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 -7.871 -2.973 2.740 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 3.292 -11.171 -2.305 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 -18.906 2.915 -4.565 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 -5.759 -2.376 -2.454 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 5.929 11.988 -0.190 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 -12.025 -7.549 0.080 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 -1.987 -3.582 -6.160 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 -15.794 -2.740 -9.878 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 -7.230 -3.532 8.126 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 -3.790 -1.924 2.048 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 2.452 25.738 -10.125 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 -6.687 13.102 -2.480 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 0.861 1.419 -1.648 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 -2.497 15.566 -1.213 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 -9.999 30.458 12.551 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 -5.301 -3.743 2.936 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 -6.668 -3.721 8.258 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 -0.058 35.063 -20.733 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 -0.144 -0.568 4.541 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 -8.865 -0.903 -1.995 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 -1.083 9.320 8.238 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 1.757 2.408 -2.609 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 2.918 -13.901 12.657 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 6.768 -10.982 20.092 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 -4.329 1.390 -3.718 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 -14.118 -9.895 14.432 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 2.166 -18.221 21.788 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 0.360 -0.044 0.202 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 -4.511 2.870 -17.091 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 -4.099 -1.213 6.202 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 -4.274 -1.796 -0.932 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 -9.627 7.229 16.242 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 -9.391 -6.161 7.213 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 -1.327 -2.458 2.091 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 -13.521 15.602 -13.257 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 -0.362 -10.042 22.526 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 -2.927 -3.257 -2.443 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 -2.256 -0.444 -5.505 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 -1.844 -7.130 -0.237 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 -1.621 -4.104 3.543 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 -12.664 13.910 -0.724 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 7.830 -7.820 1.634 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 0.858 -7.468 1.654 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 -13.551 -5.270 4.659 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 -0.686 3.818 -2.312 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 6.525 -1.856 -7.192 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 -1.959 8.701 -23.199 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 15.756 -18.416 13.202 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 4.443 -1.062 4.646 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 13.132 -13.114 17.138 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 32.935 -1.767 -7.209 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 5.932 -0.440 2.012 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 25.434 -16.394 1.482 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 3.411 13.880 8.560 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 1.748 -3.147 -1.661 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 2.651 -11.156 -3.612 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 5.435 2.995 -0.094 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 -0.685 -0.001 -3.950 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 -8.139 3.745 -9.245 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 3.185 -7.608 -8.264 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 -0.911 3.483 2.778 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 -10.686 0.299 19.774 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 6.341 6.554 -8.807 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 -2.903 -5.605 5.112 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 -1.775 -7.874 10.461 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 -7.201 -2.159 5.756 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 -7.827 -0.827 -0.681 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 -0.857 6.943 -5.565 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 13.055 -28.008 4.762 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 -0.460 -4.862 3.932 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 12.920 -15.699 12.313 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 13.914 -1.768 -12.693 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 -0.989 -0.752 -2.656 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 -4.243 6.584 18.732 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 -24.984 8.365 -8.149 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 -2.895 -4.076 2.957 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 6.789 -13.530 5.789 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 -3.879 -1.673 -8.947 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 2.675 0.605 -0.025 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 7.229 4.232 20.237 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 -23.216 -0.560 -3.683 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 -4.435 -1.183 -0.947 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 -11.540 -7.258 -7.661 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 3.676 -10.226 2.774 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 4.257 2.428 -1.566 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 5.181 -4.796 2.571 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 9.448 -7.235 4.738 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 -8.068 -2.980 -5.399 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 -10.154 5.279 10.968 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 -20.195 -3.179 -30.837 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 1.408 -2.568 -5.632 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 -4.761 -0.345 0.745 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 15.857 15.538 -14.387 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 -2.107 -1.189 2.218 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 -10.331 7.349 -1.986 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 -2.464 -4.266 10.883 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 1.794 0.140 2.730 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 1.150 6.647 -0.660 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 1.545 2.603 1.278 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 5.218 -3.643 5.826 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 9.702 0.190 -2.544 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 4.299 -3.331 -3.867 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 2.894 2.911 -3.588 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 -4.170 13.991 2.567 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 6.555 20.009 23.096 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 -0.965 -3.156 5.771 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 -3.762 1.560 -3.356 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 -4.609 0.546 9.904 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 -2.457 2.297 2.101 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 17.421 -7.676 0.367 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 -1.871 3.397 -24.662 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 -0.821 5.912 -6.093 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 3.153 -2.641 3.204 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 23.661 -23.998 -13.282 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 -3.750 -2.043 1.644 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 -6.121 9.494 4.095 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 -16.247 9.860 -2.874 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 -3.270 -0.522 -0.361 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 -12.230 13.584 -6.653 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 -8.753 15.161 -10.526 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 -4.796 -0.956 2.350 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 -20.439 -5.062 6.684 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 20.325 11.019 6.575 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 -5.112 -0.506 -1.006 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 3.950 14.340 -5.674 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 9.291 1.356 10.217 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 -0.347 0.622 -2.836 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 -4.198 -5.208 -7.286 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 12.836 -0.449 5.896 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 -3.482 0.889 -1.468 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 14.845 -12.411 11.344 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 -18.234 -2.375 -2.566 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 -7.233 5.037 -0.844 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 -6.514 12.823 10.642 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 -4.710 -22.262 32.741 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 -10.805 -5.202 2.814 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 8.918 15.574 17.592 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 -8.973 4.369 26.848 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 1.061 4.040 5.072 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 12.016 -5.750 -18.216 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 -9.875 4.070 0.876 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 0.203 7.273 -0.513 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 -1.642 11.770 8.965 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 -6.974 -3.942 -2.480 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 -9.348 3.057 1.090 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 7.662 14.909 0.215 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 -6.002 7.432 7.427 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 -3.386 -3.870 -2.885 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 -9.751 -9.698 10.237 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 -7.599 -10.379 10.496 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 -5.530 1.816 -2.794 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 13.903 19.114 10.289 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 5.845 -19.878 -15.105 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 1.364 -5.411 2.977 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 14.217 13.887 -1.747 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 3.347 -12.948 10.067 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 1.712 -6.347 -2.607 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 4.365 -7.235 10.524 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 -5.183 -2.554 17.055 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 0.277 -3.410 -1.594 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 13.248 7.605 3.890 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 5.559 -15.883 2.702 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 2.101 -0.117 0.057 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 1.481 0.386 4.669 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 5.515 1.097 -13.024 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 -1.717 3.621 -3.571 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 -7.588 -4.857 -3.655 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 -5.752 -2.254 -2.354 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 1.294 -1.472 0.728 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 8.692 10.549 4.310 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 5.665 -2.626 17.162 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 7.703 -4.336 1.763 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 23.950 14.335 -23.136 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 -20.436 -12.761 29.614 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 -0.866 -2.309 -3.985 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 -5.944 -19.367 13.970 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 5.632 21.582 8.881 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 6.681 1.958 5.182 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 12.168 5.894 -7.153 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 10.739 -23.528 3.489 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 -7.243 -12.172 3.954 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 -10.728 -15.325 -1.323 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 -7.682 -12.181 4.093 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 2.513 -5.043 0.755 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 20.594 -8.412 -27.225 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 -6.190 -4.033 14.740 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 3.007 4.157 3.743 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 4.824 -21.510 0.640 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 1.995 8.670 24.880 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 1.118 2.371 3.115 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 4.005 9.753 -30.224 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 -8.885 34.617 16.550 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 -1.181 4.349 0.297 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 -11.036 10.367 1.347 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 -8.959 17.134 3.865 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 0.977 -1.167 -1.455 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 1.276 -1.659 -0.898 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 -5.716 1.041 -3.486 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 5.016 2.727 2.269 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 7.628 1.079 -6.478 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 -11.267 36.028 8.523 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 -5.183 -1.416 -2.563 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 -8.178 6.943 -2.391 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 1.135 -7.760 14.544 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 -1.490 -5.426 2.665 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 -1.437 -1.862 -15.681 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 25.564 -11.890 -1.846 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 -6.468 4.477 -5.024 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 -6.529 5.673 -8.741 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 -14.892 3.723 1.629 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 -4.321 2.224 3.626 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 2.473 -1.264 4.093 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 -24.294 14.560 -0.085 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 -1.522 2.247 -0.707 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 -11.511 -18.252 -20.613 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 20.265 20.786 19.098 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 1.442 2.949 -4.645 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 13.327 8.048 -25.775 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 -12.349 15.158 3.939 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 1.003 -0.469 -9.100 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 1.934 -10.809 -0.701 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 2.108 0.499 -9.550 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 0.768 1.738 0.523 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 -0.199 8.527 -16.395 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 3.712 1.705 -2.215 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 -0.314 -5.990 1.465 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 3.851 0.967 24.975 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 -16.829 -20.735 -6.252 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 4.272 4.039 -1.666 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 -0.520 10.547 -1.491 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 -29.625 -0.745 9.514 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 -1.003 -6.550 2.292 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 -4.850 -12.603 -35.592 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 14.468 -11.425 4.652 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 4.534 -3.850 0.755 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 23.084 -6.235 6.399 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 6.107 -16.567 -13.501 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 0.285 -2.160 1.839 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 1.372 -14.718 7.317 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 1.695 -2.101 -7.979 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 -4.973 3.149 -2.646 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 21.691 -0.109 6.362 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 -9.285 5.213 2.906 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 0.576 -4.269 2.769 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 2.106 0.058 -9.028 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 3.494 -0.430 14.553 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 2.126 -1.269 -1.796 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 4.869 26.115 7.920 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 4.076 -8.927 -13.998 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 1.342 -3.435 0.836 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 10.106 3.436 10.502 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 8.609 -11.477 -10.694 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 3.926 -2.614 -5.615 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 -14.994 -8.757 0.876 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 -1.997 1.927 -11.610 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 2.033 8.320 -1.500 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 11.146 11.952 -5.848 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 1.299 0.604 3.413 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 8.217 -4.560 3.263 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 6.150 0.935 6.700 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 -12.461 14.853 -9.663 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 -2.033 -1.472 3.176 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 16.912 -13.336 4.863 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 1.752 2.065 -3.127 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 -1.013 2.178 2.512 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 -21.194 -12.255 -28.698 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 14.978 31.701 -4.862 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 -3.760 1.737 3.110 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 3.202 15.421 11.858 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 1.124 2.254 9.787 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 2.453 2.895 -0.749 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 2.430 -20.376 10.983 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 -2.330 1.202 -0.794 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 -0.462 -7.394 4.707 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 4.310 -23.483 -10.806 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 -2.939 -10.373 30.895 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 -7.554 -4.200 1.225 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 -3.608 -3.224 3.642 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 9.810 -23.375 10.705 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 -4.811 3.941 0.487 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 -0.137 -11.661 5.882 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 -6.132 -5.950 5.336 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 -0.247 0.133 1.687 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 7.395 2.798 0.174 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 -15.573 -6.340 -2.872 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 -1.536 4.504 -5.150 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 2.042 6.373 -13.549 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 -11.784 2.066 13.254 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 4.351 -1.639 5.478 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 -29.600 2.414 2.295 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 10.995 -4.523 -10.321 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 -3.038 1.937 0.991 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 -4.558 6.307 -5.380 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 -11.086 6.367 -10.416 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 0.023 -2.507 -1.079 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 -21.956 -7.955 -15.298 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 -1.895 -10.598 -2.197 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 -0.800 -1.461 -4.471 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 9.004 3.341 0.955 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 -7.544 -11.298 -0.865 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 1.376 2.506 3.393 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 18.208 -15.820 4.571 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 -1.501 2.141 -10.101 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 -4.797 -3.084 -0.928 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 -3.940 -7.125 -4.910 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 -15.838 -1.300 15.845 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 -0.885 -0.683 3.490 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 -4.999 -7.732 3.900 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 19.126 14.308 11.532 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 -0.561 -3.388 -3.642 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 -6.669 -14.548 -3.995 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 9.164 -3.002 12.628 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 0.201 -0.897 -1.126 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 2.581 10.916 -22.469 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 -13.847 -13.133 -11.833 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 -1.348 0.774 -5.493 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 -4.542 -8.362 -16.527 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 18.517 -3.760 -4.183 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 -2.118 2.656 -1.747 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 -1.865 -13.736 5.778 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 0.584 4.697 -19.151 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 -2.290 -1.604 -0.559 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 4.314 3.453 19.847 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 11.010 -9.699 -9.157 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 -0.307 2.852 -1.085 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 6.000 -9.774 -17.393 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 4.365 -4.569 -11.330 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 8.319 -4.378 1.828 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 -2.149 -6.571 -3.112 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 4.567 1.917 -8.643 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 0.010 -4.551 -4.473 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 1.327 -12.095 -8.328 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 21.927 16.611 14.504 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 -4.095 0.986 -0.867 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 -14.020 12.741 17.479 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 -8.263 8.208 13.397 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 -9.053 3.691 4.729 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 2.245 12.590 0.367 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 -14.568 -1.999 -6.242 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 -5.067 -3.115 -3.754 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 16.044 -2.806 -8.978 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 -10.048 -13.837 3.494 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 2.129 2.996 -2.853 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 11.240 -13.643 -14.734 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 -8.312 26.729 17.365 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 -2.386 1.555 -1.751 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 -11.348 1.043 -36.304 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 10.191 9.212 8.222 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 2.886 -2.721 0.516 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 -3.996 1.573 -1.033 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 7.244 32.984 21.338 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 3.123 3.534 6.859 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 2.530 3.116 5.781 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 6.231 -4.609 4.572 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 2.029 7.199 2.186 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 -11.702 12.380 -3.097 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 -3.162 -14.632 -17.984 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 5.375 4.509 -9.601 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 15.530 10.123 -25.068 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 17.841 -4.124 4.955 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 3.906 1.731 -11.945 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 0.539 -7.457 -0.099 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 8.722 -3.268 -10.451 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 2.301 2.123 0.578 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 -5.823 18.872 -3.650 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 18.655 -3.389 14.380 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 -4.200 -5.544 3.313 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 -1.992 -1.582 6.420 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 14.981 0.888 5.850 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 3.296 0.137 4.480 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 6.557 10.026 7.752 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 7.753 -19.848 3.102 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 -2.676 -6.260 5.709 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 3.708 -20.215 8.157 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 6.429 -6.870 7.886 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 5.592 -1.261 -1.385 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 -20.218 -32.748 18.606 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 -15.991 -1.965 -13.215 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 1.562 0.329 -4.054 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 17.798 -9.050 -15.338 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 -3.088 11.848 0.625 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 -2.983 -1.304 7.112 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 -8.580 -3.043 18.512 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 5.210 -4.341 -5.535 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 2.648 -4.193 -1.743 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 4.525 -3.026 0.960 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 12.378 28.436 7.763 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 1.158 -1.510 -2.231 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 9.839 -13.543 -15.396 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 -10.877 5.904 8.560 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 -2.072 5.432 -0.562 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 -10.599 -28.226 -2.438 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 -18.882 7.247 -20.535 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 -0.730 -2.181 -2.235 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 -9.788 -7.171 -6.454 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 -6.772 3.630 -4.455 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 -2.923 1.715 1.822 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 5.799 -1.767 14.522 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 -3.801 17.780 6.187 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 5.152 -0.145 -4.528 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 -13.011 -5.555 7.578 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 19.221 17.942 6.081 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 1.928 -9.360 0.293 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 -10.560 -13.082 -5.644 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 0.428 -15.246 -1.680 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 -5.922 -4.309 -1.213 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 -9.839 2.448 8.648 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 -11.167 -9.958 -9.318 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 7.126 3.913 -6.427 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 14.639 -2.466 -3.445 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 4.888 -3.925 -12.045 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 -1.148 0.086 -4.201 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 2.780 -2.206 8.127 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 2.154 10.532 -1.291 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 -3.408 0.127 1.874 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 1.403 -13.021 12.181 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 -9.688 9.871 -14.027 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 3.371 -1.768 -2.895 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 -7.572 -2.416 -3.937 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 8.095 -8.371 -8.816 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 -2.463 -3.765 2.423 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 -12.522 2.772 -4.288 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 -6.588 -9.493 8.648 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 -1.628 -1.885 -5.308 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 -3.102 -4.060 -9.753 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 -5.799 -11.291 -9.528 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 -5.506 2.849 1.635 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 -16.140 -9.556 11.607 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 -4.278 -4.409 14.315 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 6.004 -2.263 5.350 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 20.815 -12.753 -7.230 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 -4.368 14.642 -7.900 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 2.247 2.978 0.010 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 2.254 1.756 -0.616 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 9.970 11.390 -9.118 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 -10.238 0.377 3.128 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 -9.040 -2.631 10.198 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 -13.774 8.034 -17.893 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 -3.480 2.327 11.717 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 8.290 -0.771 -1.547 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 16.381 -3.021 -8.778 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 -2.903 -3.182 -8.740 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 -10.455 -21.562 -30.907 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 -4.528 -5.301 12.030 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 6.601 -1.861 -0.096 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 -0.711 8.430 -13.644 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 10.481 -15.136 5.015 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 -3.513 -3.979 5.881 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 5.385 -3.612 7.088 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 -5.311 -6.352 -3.022 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 4.357 0.070 -2.343 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 10.268 1.122 -11.776 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 -4.715 -0.435 21.639 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 -2.646 5.101 2.937 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 -6.731 8.781 0.762 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 3.494 -1.474 10.570 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 -1.898 -7.324 4.591 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 -6.864 10.546 -42.139 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 -19.337 -2.323 -0.032 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 2.436 -0.592 -2.581 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 -16.993 6.637 -7.735 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 2.020 1.132 14.752 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 -1.180 -1.115 4.192 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 7.485 4.645 14.474 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 0.695 1.479 -7.134 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 -1.305 -2.068 0.445 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 -2.479 13.435 -23.182 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 22.411 -23.512 5.110 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 -2.420 -7.861 0.605 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 -22.526 -1.584 13.797 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 -7.329 -4.336 22.394 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 5.419 1.566 2.169 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 0.953 -2.948 -12.089 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 13.909 1.557 1.063 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 7.342 -3.582 -3.485 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 -10.970 -12.428 28.009 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 11.761 -1.159 -11.488 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 -4.193 0.343 -6.320 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 -12.400 9.235 -19.679 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 1.077 18.466 5.196 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 -2.005 -0.166 -0.549 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 -2.588 12.675 -23.906 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 -1.366 0.071 -0.241 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 3.319 2.843 -3.817 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 -12.380 22.194 9.632 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 12.719 -16.545 22.410 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 2.415 2.862 -1.793 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 4.369 -5.239 -1.684 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 1.857 1.684 -1.352 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 -0.411 3.448 -1.482 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 12.009 14.494 2.204 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 9.817 -10.678 -5.965 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 -5.435 6.057 1.049 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 8.363 -5.154 -5.691 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 12.872 -9.900 -4.130 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 2.973 6.901 -3.529 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 -2.473 7.079 -3.008 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 -4.440 10.729 -9.074 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 -2.852 4.182 3.779 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 19.835 13.198 4.792 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 11.823 10.195 8.727 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 -4.277 -1.333 -2.100 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 -26.954 -23.958 -0.677 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 -2.091 0.598 -1.858 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 -2.652 -1.423 -3.320 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 -6.829 -6.051 -2.221 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 -2.745 -0.575 -3.586 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 -4.621 5.151 -0.335 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 4.917 5.387 3.924 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 -4.792 25.623 -6.519 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 2.192 -5.992 -4.800 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 -7.570 -0.600 1.813 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 15.884 -14.400 0.717 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 2.858 3.110 7.230 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 1.158 0.841 -15.759 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 -2.941 1.773 11.590 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 -10.731 3.732 -0.085 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 -3.314 -8.534 -5.804 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 -25.388 1.425 0.556 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 -1.220 -3.178 -0.837 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 -4.933 0.878 -2.705 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 -17.012 3.731 -0.828 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 -2.201 -0.793 1.069 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 -3.930 -9.226 11.913 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 0.786 6.180 0.434 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 6.941 -5.079 6.553 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 1.710 -21.046 16.374 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 5.363 -9.621 11.007 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 1.559 -1.593 0.362 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 14.048 1.332 -10.131 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 3.880 9.051 -4.356 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 1.091 -4.108 -0.879 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 7.138 10.564 -3.035 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 -0.287 0.231 1.030 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 9.433 -3.612 -0.821 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 -9.075 -2.239 -16.947 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 6.459 -20.254 9.876 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 2.263 -7.283 -0.178 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 2.737 -7.264 -4.182 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 -1.578 -14.342 -13.735 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 -0.739 -1.105 -0.536 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 15.835 -6.589 -1.562 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 4.897 24.358 -3.819 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 3.265 -2.499 2.045 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 -4.188 0.816 2.515 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 6.786 -9.334 15.323 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 2.483 -0.636 -2.049 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 -7.678 -17.660 -6.113 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 22.511 -4.295 -1.758 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 4.006 -2.752 -6.264 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 8.264 -0.288 -12.225 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 18.642 5.232 -3.459 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 0.363 -0.524 1.712 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 -14.524 7.496 -3.476 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 3.418 -0.151 5.910 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 -5.156 4.036 -0.989 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 -18.056 -0.974 -0.167 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 -16.676 16.744 6.565 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 2.244 6.056 -3.133 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 9.251 15.345 -15.087 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 0.048 14.758 16.028 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 10.535 1.612 -0.859 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 -9.575 -2.370 -13.307 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 3.149 13.231 26.316 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 1.483 -2.177 7.684 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 -5.377 -10.740 -0.148 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 -14.973 13.704 8.332 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 0.700 -1.044 -3.405 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 33.376 -6.497 -16.842 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 -8.597 6.740 -1.206 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 -0.234 2.522 -0.692 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 8.680 5.484 -14.412 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 -1.631 -12.687 -0.830 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 -2.198 0.974 -0.284 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 -3.942 -3.214 20.598 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 -21.062 3.146 -19.007 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 -2.238 4.838 -2.402 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 -13.661 -13.073 -17.276 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 15.560 0.061 -27.054 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 5.754 3.409 -8.399 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 -11.001 21.454 13.880 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 10.935 6.796 -3.000 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 -6.619 1.001 3.921 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 4.843 10.043 17.414 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 -24.079 -14.411 -14.530 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 -3.136 0.984 3.526 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 1.107 2.750 6.788 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 -4.411 5.156 -9.397 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 9.068 -1.660 -5.834 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 5.002 -10.912 -12.127 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 3.939 -0.783 -0.964 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 4.438 -6.602 5.525 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 -26.019 -9.105 21.645 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 -9.645 1.486 1.399 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 -1.934 1.523 -4.376 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 -5.156 0.479 -0.067 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 2.606 1.045 -6.846 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 5.591 -0.112 4.145 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 -5.217 -23.580 20.474 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 23.988 9.147 29.668 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 1.653 6.110 -4.869 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 -2.859 1.001 -10.168 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 0.183 5.440 4.759 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 -4.399 2.431 0.028 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 -7.902 7.086 -5.444 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 0.035 -3.250 -4.750 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 3.084 0.912 -4.955 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 -0.370 5.737 -14.429 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 16.213 -1.569 -1.645 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 2.783 -4.202 -5.028 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 15.064 -3.131 21.292 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 -15.333 30.572 4.879 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 6.521 1.958 6.592 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 14.866 -14.765 7.859 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 10.130 20.574 -1.012 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 -9.682 -0.035 -10.832 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 6.279 1.710 5.015 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 -15.890 -7.836 -17.597 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 -2.189 -0.160 3.667 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 14.201 3.730 -3.319 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 -13.618 5.393 -9.337 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 -5.155 3.684 -12.917 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 2.894 23.863 -8.954 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 -19.580 -4.459 -7.371 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 4.635 -5.121 4.488 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 -10.379 -2.657 19.051 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 13.789 13.701 1.100 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 2.300 -1.009 6.210 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 18.225 -8.202 11.940 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 3.037 3.097 -11.190 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 1.330 3.102 0.965 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 1.668 -13.329 -0.607 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 -4.442 -3.961 1.362 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 0.497 -2.535 -2.223 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 -10.976 11.908 5.473 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 15.575 7.689 -11.724 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 -5.092 -1.330 2.863 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 -7.247 18.616 5.485 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 -14.375 -14.581 18.482 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 -1.023 -1.037 0.182 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 -4.048 -22.064 -9.011 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 9.945 2.059 -13.872 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 0.811 0.105 -0.389 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 0.335 1.867 -6.643 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 -2.617 -4.105 -12.039 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 -4.054 3.828 -8.430 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 2.975 -14.676 3.473 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 7.297 3.596 -22.050 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 2.967 -4.888 -4.843 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 -7.476 20.406 -18.105 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 -6.477 -7.771 -11.016 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 -2.674 -9.894 0.714 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 -20.424 -9.005 -7.726 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 18.154 -25.042 -6.021 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 5.057 0.992 0.500 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 29.373 -1.421 -8.091 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 -6.624 1.125 6.798 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 0.964 2.357 -0.311 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 13.314 7.582 1.384 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 9.254 11.497 -8.203 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 -2.364 7.104 5.996 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 0.325 7.090 8.390 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 -5.728 -12.443 6.512 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 1.124 -1.914 -4.620 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 14.584 -9.452 6.376 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 4.616 -0.816 -3.532 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 5.952 -1.069 -0.136 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 -7.915 -4.881 -4.195 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 20.213 2.522 12.274 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 -3.197 -3.930 -3.616 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 -5.128 -2.792 12.475 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 -0.391 0.887 -9.827 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 -5.538 5.440 -0.580 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 -18.103 7.444 6.743 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 23.345 1.617 -10.386 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 0.555 -4.998 2.054 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 -6.127 -0.821 -4.200 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 5.922 -7.124 -5.289 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 2.393 -4.857 1.953 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 -9.516 10.188 -21.747 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 12.856 24.517 17.290 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 -2.802 -0.842 -2.136 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 11.906 -6.203 -8.778 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 -3.903 -3.237 5.689 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 3.315 -4.528 0.919 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 19.172 1.250 6.169 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 11.560 -2.877 7.431 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 -1.681 -5.350 2.611 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 -12.730 -3.292 8.444 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 -2.211 -5.378 2.510 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 2.394 1.640 -4.064 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 1.276 -1.631 7.486 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 11.366 -8.624 -20.666 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 0.618 1.948 -6.620 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 -7.218 6.990 0.327 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 -6.557 11.785 -10.590 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 4.459 -2.597 1.526 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 3.029 -5.347 2.030 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 6.547 -1.460 1.113 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 -0.063 -2.913 2.770 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 -14.382 -0.479 -13.416 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 5.902 18.277 -1.126 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 3.838 -0.623 -3.824 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 5.354 3.729 2.906 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 12.236 4.825 4.640 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 -2.824 6.251 0.965 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 -8.237 17.100 -14.648 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 -10.154 7.904 31.915 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 4.747 -3.202 -2.772 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 7.941 10.322 0.710 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 7.709 -8.573 -0.591 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 6.176 0.720 -0.493 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 -3.250 5.616 13.869 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 -6.567 -5.930 -12.940 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 -0.065 2.985 1.321 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 -10.190 6.942 3.342 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 8.226 6.130 15.996 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 -0.597 3.634 4.310 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 14.238 7.652 -2.827 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 -6.375 16.477 2.631 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 3.656 1.291 5.934 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 0.276 -9.540 23.732 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 15.236 22.369 0.640 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 0.462 2.669 5.119 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 -0.739 -11.416 17.820 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 4.740 14.751 -14.001 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 3.832 -0.508 9.874 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 -9.429 5.855 9.313 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 -2.040 -18.392 3.521 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 5.100 0.507 1.175 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 -3.493 -1.213 25.872 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 -5.535 -3.114 24.850 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 3.248 2.979 -1.497 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 5.621 1.248 -14.403 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 -8.129 0.724 -5.737 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 -9.239 7.261 2.976 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 -13.588 -2.428 9.232 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 -6.829 17.684 -2.084 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 -3.006 -1.984 9.854 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 4.151 -4.363 13.275 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 -3.105 5.436 6.712 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 1.999 -1.487 2.601 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 1.708 -1.540 2.572 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 0.921 -4.833 6.827 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 -2.236 -2.354 -2.230 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 0.483 2.377 1.343 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 -1.930 -8.583 -4.055 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 7.914 -6.550 -7.592 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 -17.358 -18.858 -16.062 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 -15.045 -8.805 -1.257 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 3.584 -5.208 -3.642 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 10.034 -7.383 -1.906 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 8.416 -5.592 -0.499 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 -8.221 -0.161 -0.936 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 -6.837 7.277 14.358 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 -5.683 1.268 5.248 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 -2.577 -0.475 1.025 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 8.409 -1.852 -0.568 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 -11.946 -4.990 9.749 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 -2.780 6.964 -2.759 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 -1.763 12.159 -0.408 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 -0.466 -2.014 -4.581 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 -1.734 1.858 -0.154 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 -9.488 19.447 -8.500 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 17.205 1.506 -5.523 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 3.237 -3.538 4.189 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 26.641 10.368 -5.301 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 -16.014 10.359 -14.857 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 -1.662 2.506 -2.945 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 4.021 -12.160 -1.984 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 -23.953 3.503 -20.632 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 5.436 -2.573 -1.388 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 14.599 -1.617 4.929 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 -4.431 3.345 4.144 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 2.082 4.913 3.816 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 8.368 25.510 5.737 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 -8.492 -25.325 -0.679 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 -1.895 -3.101 -0.201 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 -1.135 -2.730 12.148 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 -4.578 -29.344 8.719 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 -6.682 -7.272 -1.121 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 8.445 0.965 -13.138 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 -13.989 4.107 16.282 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 -0.544 -0.865 1.139 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 -14.291 13.798 -5.146 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 -9.030 8.002 8.513 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 -2.633 -2.216 6.592 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 7.656 -1.578 41.267 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 4.176 -1.038 11.447 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 -1.522 0.652 -0.275 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 3.903 5.155 6.784 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 -5.168 -1.596 4.136 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 1.748 -8.520 -4.909 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 1.019 -8.764 -4.690 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 1.045 -3.904 -8.390 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 4.672 -0.989 1.737 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 15.924 1.042 0.618 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 10.492 3.561 0.956 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 7.643 6.098 0.987 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 19.384 17.752 -20.654 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 -27.282 -8.722 17.108 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 3.446 3.700 1.549 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 18.698 15.159 -7.866 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 -13.744 4.029 15.283 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 3.547 9.811 3.147 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 -6.561 10.716 1.975 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 3.097 2.468 0.989 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 -0.803 1.484 -1.063 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 -7.484 -9.875 -9.174 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 1.609 1.606 10.027 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 -2.762 -3.062 0.156 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 -16.489 -11.847 14.031 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 3.195 -13.339 -10.512 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 5.485 -1.788 -5.368 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 6.726 9.911 -6.279 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 13.236 -8.305 2.693 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 -0.462 -2.188 6.015 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 7.582 -6.835 6.145 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 -7.006 0.362 6.184 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 -6.156 5.344 -1.777 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 -33.455 -7.555 -6.114 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 36.192 0.754 2.544 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 2.774 5.259 1.933 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 -11.534 -0.501 10.381 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 0.486 2.010 2.739 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 -3.540 -1.378 -10.739 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 -1.878 -3.500 -18.505 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 -11.060 11.255 -39.087 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 1.735 -2.395 3.948 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 21.708 -12.777 34.357 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 4.432 10.296 -7.591 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 -1.733 -4.577 -3.631 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 -6.028 -4.239 9.418 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 7.993 2.034 5.364 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 10.296 -4.733 -2.094 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 15.450 -2.560 3.536 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 13.017 -3.376 2.696 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 -2.252 -5.425 -1.106 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 -4.900 -7.975 9.924 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 4.914 -5.399 -7.884 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 -1.935 3.016 6.099 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 -23.398 -8.530 22.429 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 14.026 -9.752 -10.203 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 -1.491 1.350 1.178 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 -7.521 1.031 9.412 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 22.463 -8.737 -21.479 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 4.317 2.683 1.902 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 2.721 28.524 11.404 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 -4.998 -0.144 5.174 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 6.817 -6.150 -4.473 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 15.689 2.237 -7.628 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 -23.734 33.346 1.498 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 1.820 -4.389 2.504 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 11.318 -5.231 2.147 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 0.640 -11.404 -2.807 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 -3.286 0.114 2.400 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 -2.830 38.812 4.212 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 0.160 -12.173 35.830 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 -3.931 -10.538 -0.863 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 -14.511 -4.108 3.380 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 -14.259 0.485 -0.933 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 3.833 2.881 -0.794 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 -9.550 -32.036 20.537 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 2.274 2.085 3.809 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 -3.932 -0.174 1.767 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 -5.678 14.852 -5.455 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 -2.965 -10.594 -10.324 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 8.098 7.157 5.663 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 21.800 18.599 -5.191 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 -8.151 20.420 1.377 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 7.037 -0.944 0.845 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 6.816 -5.096 17.495 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 1.403 16.613 7.757 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 -6.578 2.114 -1.386 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 -3.742 -11.769 -14.447 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 3.172 10.775 -11.956 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 6.643 2.489 -2.463 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 5.007 2.821 3.065 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 18.393 4.715 -2.673 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 -9.580 -3.342 1.606 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 -24.496 -9.613 5.106 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 -3.574 -3.836 15.784 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 -3.398 6.019 1.695 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 4.735 9.453 -10.753 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 2.366 1.780 9.120 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 1.700 4.127 -3.665 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 -21.832 2.252 -10.492 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 13.512 -19.875 -10.812 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 5.262 -0.527 7.953 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 19.918 -12.210 0.528 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 12.222 3.787 19.667 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 1.951 -8.853 1.641 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 -12.587 -3.246 -27.325 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 -12.206 6.823 -21.616 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 2.345 0.599 -7.803 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 6.166 -5.138 12.406 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 -0.343 -8.801 -4.987 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 1.387 -1.844 0.691 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 4.455 -7.132 -0.574 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 -3.283 7.195 5.656 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 -11.410 -8.140 -1.158 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 -11.792 -6.563 -0.585 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 3.077 -5.700 -8.688 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 0.179 -2.404 3.026 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 -1.584 2.726 16.522 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 17.119 4.483 7.279 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 1.582 1.228 -1.626 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 -13.790 -5.605 -4.930 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 8.696 -23.424 -11.201 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 0.260 3.167 3.795 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 8.637 -5.518 -5.609 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 1.332 -13.515 -37.761 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 -2.152 0.566 1.143 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 7.445 4.877 9.398 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 3.141 8.050 -8.353 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 7.287 4.206 -2.633 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 4.437 -4.996 -2.143 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 -0.730 -6.879 2.762 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 4.905 -4.935 -7.099 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 13.208 -16.030 -8.281 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 -6.311 23.074 -10.416 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 1.497 -0.484 -0.623 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 8.548 3.775 11.920 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 23.608 -17.486 -7.646 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 -0.552 4.242 -6.574 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 10.581 -8.976 -14.032 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 -22.421 22.526 2.223 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 -0.725 4.921 -0.951 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 -7.054 16.013 8.629 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 7.267 22.607 2.939 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 1.435 -2.307 6.606 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 -17.687 10.315 -5.829 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 2.093 2.514 -8.124 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 2.229 7.264 3.046 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 1.640 -7.528 -4.345 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 -3.521 9.418 -9.385 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 0.101 -0.898 -7.868 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 -1.516 -1.634 -7.637 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 2.839 28.023 -14.915 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 3.860 -3.489 2.287 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 7.794 -12.984 3.097 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 -4.791 -5.178 -2.501 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 -5.283 -1.824 1.785 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 -5.249 -9.612 -4.701 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 -16.066 7.769 -9.837 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 12.521 2.814 -1.533 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 13.364 9.845 -3.082 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 18.537 -13.222 3.291 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 -6.916 5.347 2.010 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 2.016 -5.338 -8.555 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 -2.860 -1.224 2.604 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 -1.040 0.981 -0.551 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 -11.961 -1.290 -2.523 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 4.649 11.294 -5.254 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 4.873 -4.836 5.653 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 8.804 10.529 22.119 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 13.692 2.780 7.924 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 -1.037 3.415 0.465 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 12.952 -17.269 -10.001 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 11.121 2.152 -6.403 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 -2.675 -0.375 -3.142 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 -19.317 -4.409 -3.158 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 6.485 -16.049 6.423 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 -2.013 6.227 5.334 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 6.914 7.506 -19.069 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 -6.275 -27.919 9.779 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 0.359 -4.282 2.602 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 -6.522 -6.761 -5.548 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 4.431 -11.723 -0.027 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 -6.755 2.463 2.292 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 -7.720 2.671 3.390 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 -3.701 13.761 19.447 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 1.985 0.436 -3.282 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 8.105 -28.732 33.327 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 15.373 1.678 -3.776 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 -1.215 -1.964 2.322 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 -3.332 0.830 -2.815 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 -2.623 -0.512 -1.011 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 0.050 -3.710 0.152 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 13.529 17.385 -1.615 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 -10.465 -0.818 3.304 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 0.644 -1.058 -4.810 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 7.832 -4.179 1.701 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 2.668 -1.639 -3.441 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 -5.993 -3.398 3.414 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 3.011 1.849 -6.717 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 -0.604 11.491 2.414 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 -2.686 1.011 -0.809 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 -8.980 5.086 -6.940 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 -6.843 4.511 7.093 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 0.174 -7.052 -2.218 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 -0.681 -8.216 -6.950 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 6.054 -8.448 -9.764 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 7.066 -7.068 0.854 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 8.210 1.396 -10.826 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 7.308 -7.203 8.964 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 -1.410 0.041 4.154 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 -18.723 4.189 -0.668 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 2.191 -2.219 3.428 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 6.958 3.989 0.857 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 -3.690 3.176 -2.512 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 8.159 0.698 -0.616 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 4.259 2.515 -7.638 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 0.565 -7.228 -6.667 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 3.953 2.427 -3.631 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 1.959 -1.673 -0.496 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 6.788 8.643 -0.249 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 -12.788 -7.278 9.033 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 1.460 -3.091 -2.402 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 3.746 12.529 -0.219 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 -13.720 25.620 -4.032 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 3.225 3.669 4.528 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 26.263 -4.527 -5.245 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 -10.974 9.502 -23.416 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 -0.609 2.525 4.355 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 7.553 -33.568 12.624 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 1.745 -9.889 -13.586 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 5.994 -2.864 -4.192 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 -3.357 -38.942 9.568 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 -4.103 10.675 -12.953 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 0.713 5.402 0.125 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 0.190 -0.223 -5.694 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 0.480 4.735 -5.498 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 -4.263 -2.611 1.911 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 -4.538 5.077 9.959 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 -2.596 -8.835 -12.654 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 4.255 2.619 -4.022 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 24.046 8.384 -13.077 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 -8.273 3.443 -6.883 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 -4.033 -4.232 -1.907 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 -11.891 -4.996 -14.132 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 -32.736 4.839 21.400 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 4.748 -3.764 0.997 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 20.842 -14.548 14.319 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 -9.960 -2.727 -15.798 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 -1.659 -4.460 -2.689 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 -6.509 -32.072 -5.419 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 9.190 1.379 -23.628 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 -5.628 2.093 3.441 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 -2.003 -11.425 8.429 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 -1.765 -2.279 -4.957 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 4.987 0.857 -4.472 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 -14.502 -6.501 4.364 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 20.456 -1.360 -8.079 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 -1.681 -5.296 -2.066 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 2.193 -8.182 1.606 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 -11.553 -1.492 3.556 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 0.295 0.353 -6.361 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 -3.004 -6.032 -10.333 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 30.216 16.363 -9.706 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 0.413 -1.075 -2.692 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 -5.540 -4.143 -0.758 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 20.691 -1.602 10.383 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 -1.868 -5.361 4.515 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 -12.856 3.705 15.004 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 -13.952 0.244 -1.128 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 -0.706 3.377 6.557 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 -7.508 2.677 3.468 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 6.677 -36.607 10.439 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 2.426 2.473 -0.471 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 -12.582 -4.926 5.221 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 -8.565 2.156 -5.607 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 0.635 3.973 0.959 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 7.860 9.970 4.717 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 -18.583 1.578 -9.693 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 7.374 -3.806 -6.475 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 6.341 -3.354 -6.727 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 14.271 -13.170 -8.502 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 -6.220 -0.890 -3.213 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 -9.448 7.118 -8.896 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 -5.712 13.264 2.950 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 -2.917 -1.775 -3.256 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 9.619 -7.045 -5.497 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 -8.981 -6.332 30.046 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 -2.134 -0.561 0.954 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 2.948 8.882 15.040 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 -6.921 11.472 -15.902 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 -1.374 -0.566 -3.795 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 0.761 5.260 -3.076 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 -2.103 -3.788 -10.115 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 3.477 -1.404 -0.907 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 5.598 -5.633 1.967 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 16.737 -8.695 -13.173 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 3.104 5.949 7.878 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 10.244 24.062 8.748 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 -3.303 -5.011 6.050 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 1.385 2.982 -0.652 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 1.758 8.002 -19.263 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 8.336 -1.385 -8.025 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 -2.044 -1.857 5.517 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 4.520 6.389 3.381 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 -9.160 -12.067 6.770 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 -1.123 -3.016 0.020 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 -16.428 -10.828 12.457 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 16.666 8.884 -7.304 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 5.255 0.399 0.251 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 -2.275 -10.881 6.610 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 19.617 -6.537 1.600 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 2.920 3.319 -6.409 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 16.207 -3.042 -15.015 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 -7.621 -3.821 -20.955 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 3.400 2.775 6.339 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 -0.704 -17.624 3.665 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 -18.996 1.058 25.053 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 0.236 -4.893 3.162 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 -7.995 8.559 9.659 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 -8.597 11.679 18.580 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 4.151 -0.710 -0.404 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 -15.196 -8.938 -0.368 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 -12.155 -6.166 0.665 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 -1.778 -0.595 6.005 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 -12.379 11.843 6.747 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 -14.197 1.008 4.810 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 0.267 0.715 3.565 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 10.909 16.965 3.360 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 3.620 0.125 -19.120 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 -2.493 -0.121 -6.526 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 -2.711 -20.318 8.266 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 -1.814 10.997 -13.314 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 4.676 0.711 1.681 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 4.690 -5.857 -0.375 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 -0.574 -4.829 4.052 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 4.472 6.000 3.471 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 8.422 -14.228 16.054 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 -5.494 30.489 -11.161 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 -4.103 -6.110 -8.083 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 -5.254 -1.402 -19.185 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 9.011 -22.578 -2.871 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 0.900 -4.781 0.944 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 -2.037 -15.255 18.965 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 5.188 7.098 -20.973 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 -8.509 -5.222 2.631 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 -11.332 -5.599 2.992 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 0.259 -15.507 -0.830 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 1.600 -1.841 -4.094 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 -11.313 21.623 -2.064 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 0.574 -19.755 -1.955 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 3.337 -1.636 -3.774 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 -9.983 4.418 -33.740 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 -0.804 -22.368 -7.396 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 5.767 -2.898 5.225 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 22.798 -1.790 13.588 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 19.867 10.510 5.465 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 -0.029 5.028 3.330 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 -0.972 -19.038 19.191 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 -6.558 15.394 -19.954 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 -2.500 -9.093 -4.270 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 21.107 -9.343 -12.089 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 2.792 -3.993 -11.029 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 -0.527 1.178 -7.044 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 -9.461 4.981 -11.510 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 -8.757 -1.615 -5.651 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 2.696 1.620 -3.439 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 -11.460 -9.257 -2.299 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 -11.905 -2.721 -5.406 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 -4.252 2.146 -5.660 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 -25.326 11.487 -0.736 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 11.993 17.735 9.193 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 -3.918 1.412 -1.238 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 -1.822 2.262 0.150 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 -10.339 6.540 -7.587 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 3.693 2.933 0.008 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 13.239 17.613 16.819 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 4.503 -5.582 -15.003 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 1.980 6.899 6.780 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 8.135 -1.913 -9.316 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 14.148 17.285 34.059 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 1.730 -1.583 -1.948 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 0.974 1.435 -13.979 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 6.064 -12.095 19.092 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 3.104 2.342 1.020 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 16.315 6.678 2.454 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 4.649 3.499 2.745 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 -3.133 -5.259 0.396 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 6.023 -9.235 -2.012 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 -32.249 5.628 7.498 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 2.849 -3.542 4.918 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 16.682 -0.313 -0.007 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 -2.543 -18.979 12.001 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 -2.002 2.042 2.381 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 -7.655 19.607 -0.324 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 6.884 -6.359 24.173 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 0.240 -7.941 -2.910 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 15.548 -4.571 4.620 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 -8.805 0.580 -3.411 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 1.458 -1.546 3.876 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 18.057 0.920 0.957 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 -32.313 -6.777 13.962 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 1.547 -4.231 -1.025 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 8.716 0.807 13.529 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 8.261 -7.407 -10.676 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 -0.877 3.872 -3.130 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 -4.574 -6.066 -2.468 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 10.806 8.161 -5.961 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 4.853 -4.225 0.626 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 13.136 -15.701 27.651 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 24.561 22.319 8.302 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 -0.164 0.791 1.296 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 -14.931 -14.598 -0.607 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 -8.016 18.615 11.338 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 0.206 0.709 2.461 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 -21.255 5.825 6.559 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 -4.646 1.608 -20.267 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 -7.630 0.838 4.531 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 -5.519 1.505 1.981 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 -14.757 -6.862 8.355 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 -4.410 6.784 1.383 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 0.356 22.828 -11.996 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 -8.898 -3.535 -11.197 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 -7.151 -4.796 0.223 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 3.671 -1.738 4.898 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 -22.427 -17.910 2.319 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 4.650 10.304 -2.915 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 -0.057 -5.956 -10.471 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 25.717 15.035 9.768 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 4.689 4.235 1.795 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 -32.395 10.831 -3.048 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 5.392 -18.777 32.137 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 -1.978 -1.284 2.695 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 -8.750 10.454 -1.198 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 -11.825 17.946 -2.163 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 -1.423 -2.122 -0.224 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 7.086 0.734 -3.005 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 -2.394 -0.871 6.510 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 -1.048 -4.985 -3.860 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 -1.318 -4.839 -0.950 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 0.078 -6.035 -1.450 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 -4.912 -0.387 -9.388 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 0.551 12.560 13.378 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 -5.379 -1.643 -6.759 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 -3.123 -7.021 6.299 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 -30.187 -6.371 -24.040 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 -3.019 -8.880 8.958 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 -2.455 -1.722 -6.443 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 -11.031 -10.332 -16.900 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 -4.734 -16.510 -18.680 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 -2.715 -1.226 1.498 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 -3.669 -0.896 4.957 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 7.639 -0.013 -4.707 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 -3.469 -3.634 -3.970 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 3.724 -2.621 -12.153 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 -0.091 -2.788 4.880 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 -1.402 -0.900 -7.201 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 -0.515 4.173 -24.712 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 -2.778 0.351 -1.559 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 -7.206 -4.826 6.337 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 12.226 -30.932 14.285 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 -12.888 1.231 -1.805 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 0.902 -8.621 -4.176 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 3.536 0.017 9.574 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 3.770 22.870 -14.554 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 -2.846 2.187 -3.603 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 -34.236 19.420 4.022 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 -11.142 -19.595 -25.621 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 3.809 0.148 2.388 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 -3.382 -10.878 -7.529 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 5.381 9.487 -10.654 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 7.876 5.176 0.588 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 14.312 -4.078 5.312 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 -1.108 -31.820 -13.253 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 2.200 -1.828 0.568 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 -0.630 -23.088 16.449 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 9.693 -1.700 -20.165 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 -4.383 -2.274 -3.266 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 -30.174 3.514 -17.705 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 -3.761 -6.117 -9.825 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 2.826 1.169 3.146 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 3.168 6.048 1.473 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 3.881 -1.154 -0.067 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 -0.879 -2.588 -3.675 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 -12.691 -8.408 -3.227 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 1.601 -5.680 -14.099 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 -1.176 0.781 -1.547 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 -0.003 -3.351 7.038 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 0.005 -6.504 8.830 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 2.389 -3.344 5.196 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 9.282 9.655 -5.449 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 3.718 0.077 3.118 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 -2.674 5.448 -7.534 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 2.481 12.508 6.411 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 -3.563 -2.732 7.632 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 3.603 -0.297 5.739 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 1.878 5.022 6.016 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 -1.592 -8.243 -22.989 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 0.252 -0.247 3.057 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 10.513 -0.497 35.568 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 3.193 10.810 -12.448 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 2.634 1.415 -2.313 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 4.640 -15.175 -19.376 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 -4.351 13.983 3.643 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 -1.668 -3.557 -4.069 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 3.433 -2.274 0.069 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 -7.771 -1.234 -2.201 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 5.353 -4.849 1.776 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 -16.366 3.243 -14.505 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 23.439 -12.099 14.591 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 11.285 8.068 -0.971 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 5.192 10.899 16.353 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 -15.341 -23.061 -9.928 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 2.071 -2.293 4.301 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 10.226 -3.666 -14.220 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 2.831 14.819 9.432 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 -0.859 0.881 1.321 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 0.427 4.599 8.451 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 -24.431 -9.516 -13.704 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 -0.577 2.951 -5.109 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 -21.425 6.537 -9.361 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 -7.523 1.937 -5.599 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 -4.886 -2.223 2.086 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 -1.958 2.974 9.595 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 -9.656 5.863 -1.174 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 -3.244 -6.078 -0.801 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 3.839 0.288 6.305 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 -10.385 -11.759 -17.164 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 -6.097 -6.102 -3.395 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 -8.124 -9.569 -7.602 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 -2.479 2.825 5.373 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 0.726 -6.528 -0.830 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 1.112 -22.396 -5.047 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 -17.051 -6.308 4.101 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 4.521 3.043 -0.811 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 8.557 3.659 -0.230 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 2.172 8.129 -5.156 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 -2.468 -0.603 4.474 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 -1.621 -0.596 7.458 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 -4.001 -0.957 4.188 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 2.630 -2.326 4.072 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 -1.495 -9.043 -8.473 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 -7.261 0.763 -6.824 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 -0.135 0.642 -4.628 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 8.382 -7.253 -11.547 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 -6.699 0.566 1.385 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 -0.063 -1.036 -9.325 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 21.351 -14.858 -7.238 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 3.058 -2.497 -8.901 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 0.836 1.830 -3.609 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 5.316 21.932 13.744 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 14.810 -25.432 -1.054 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 4.384 -4.152 -3.145 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 -17.917 -0.340 -11.038 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 15.097 -15.728 -21.351 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 -4.593 0.421 0.260 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 -1.707 -5.332 -1.670 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 -5.612 3.610 0.229 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 -2.911 -1.877 -3.677 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 -10.311 10.733 -11.313 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 -32.412 10.023 5.862 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 0.027 2.274 -1.682 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 -4.456 0.553 -6.031 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 6.191 -0.459 -1.433 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 -1.029 1.096 3.232 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 8.471 21.727 -11.035 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 -28.209 -0.783 -4.339 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 -0.973 -0.092 -6.161 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 -8.415 -6.358 -1.057 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 4.345 9.801 8.992 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 2.667 2.693 -6.634 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 12.731 -7.567 -6.140 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 11.310 13.807 -13.117 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 3.429 3.229 8.567 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 -2.378 -23.608 31.535 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 1.910 5.220 -15.316 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 1.170 1.476 1.201 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 2.440 0.496 1.841 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 3.060 -0.863 2.163 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 -4.587 0.657 2.275 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 -10.689 -9.173 10.615 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 -1.799 -5.051 14.350 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 4.100 0.416 6.937 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 7.778 -11.119 13.103 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 3.461 -5.841 17.538 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 1.794 -0.029 0.232 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 7.016 -1.851 6.442 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 6.015 24.917 7.812 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 4.410 7.497 -4.317 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 23.157 1.669 13.516 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 -2.021 12.355 -2.513 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 -2.343 -5.421 2.677 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 -1.320 -3.409 6.359 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 -6.216 -4.819 3.211 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 3.544 2.582 -0.947 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 -15.725 0.520 -6.998 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 -2.655 0.992 -5.017 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 0.081 -0.840 -0.208 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 -4.414 -5.222 -2.391 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 -5.620 0.332 -18.555 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 1.936 -3.173 -1.080 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 3.000 -11.005 0.139 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 3.868 5.634 -19.725 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 5.842 1.391 6.135 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 -6.421 0.630 -9.030 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 15.084 -11.818 13.169 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 -0.002 1.099 -6.358 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 10.711 11.254 -2.722 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 -10.759 -21.985 4.192 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 -4.547 -1.805 0.421 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 2.180 -5.060 2.254 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 -2.219 -2.251 -1.493 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 6.796 2.686 -5.524 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 25.293 9.058 11.184 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 -17.123 -1.556 -11.382 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 -4.018 -0.480 0.661 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 -1.593 -9.188 -13.381 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 0.882 -11.036 -3.756 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 2.335 -1.634 -5.237 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 -5.144 -2.728 -14.525 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 -24.398 35.471 13.876 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 7.871 5.844 3.284 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 -1.866 6.739 3.077 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 -16.046 -32.308 5.951 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 3.426 -1.386 2.120 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 -1.692 -6.685 12.601 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 -9.707 -1.174 -10.017 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 0.436 -1.781 1.474 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 -9.314 -4.905 3.598 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 5.403 -3.251 11.005 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 -0.460 -1.416 2.043 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 -5.338 -6.011 6.160 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 -13.995 -18.288 13.439 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 -4.757 -4.156 -5.419 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 3.272 -5.630 -13.428 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 0.444 11.721 -2.928 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 2.901 -8.018 0.427 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 9.728 -7.018 12.747 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 7.075 -1.105 -4.122 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 2.976 -6.803 6.793 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 -1.850 -2.114 -2.885 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 0.350 -16.436 4.789 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 -3.579 1.330 3.452 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 3.046 1.836 -12.900 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -4.226 9.658 -17.073 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 -0.459 2.985 1.161 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 -10.492 -6.103 -19.547 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 0.291 -16.434 21.827 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 -5.807 -0.833 -2.822 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 -6.492 -1.155 1.395 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 -6.356 -0.120 -5.786 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 -1.520 -4.102 2.504 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 -8.680 3.268 -15.651 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 -2.729 -1.856 0.801 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 -1.145 -9.487 1.769 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 -1.000 -9.838 1.751 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 -2.093 1.004 -2.113 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 0.564 3.447 -3.250 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 7.250 -11.837 -0.896 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 7.255 12.360 -15.794 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 6.664 4.803 -4.203 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 -10.791 8.246 -24.420 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 -12.878 -1.899 -8.420 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 1.741 1.337 3.988 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 8.882 0.680 2.031 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 -7.971 12.029 -0.984 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 -0.478 1.616 9.338 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 0.596 4.027 17.845 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 1.951 5.693 10.209 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 -8.117 -6.908 -0.597 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 -4.600 -19.659 -7.074 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 -11.434 -0.345 -13.244 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 -1.925 1.539 10.279 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 22.760 4.650 -5.752 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 15.234 -1.574 1.316 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 0.675 3.901 -6.417 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 3.784 3.729 -8.989 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 -27.251 4.600 4.486 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 3.228 0.929 -0.225 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 3.428 -6.653 7.551 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -18.738 11.727 -14.358 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 1.379 4.517 0.994 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 -8.727 18.532 5.795 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 9.551 2.818 6.839 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 -3.596 -1.711 -1.294 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 19.455 8.797 -19.956 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 -11.153 6.805 -15.859 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 -0.605 -3.685 -2.606 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 -10.847 -3.174 -2.623 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 4.754 -0.596 -1.951 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 1.739 1.412 -0.368 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 -5.852 -16.394 -16.009 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 30.321 4.254 3.441 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 -2.996 -1.575 1.306 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 18.748 -16.304 -14.463 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 -3.221 -2.025 -12.514 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 3.063 -6.881 2.478 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 -22.704 -15.080 3.115 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 8.332 45.945 14.003 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 -1.821 -1.109 -3.996 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 -2.755 11.865 -12.738 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 6.226 -5.951 9.040 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 -0.506 3.384 -3.982 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 -4.304 19.354 6.798 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 -2.579 2.079 -6.222 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 3.999 8.517 -4.517 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 -5.149 1.309 0.391 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 0.539 24.067 -15.043 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 -9.192 4.066 2.850 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 -3.024 13.912 -7.719 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 -10.096 -12.332 -3.299 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 0.338 -2.290 -1.297 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 3.952 2.299 5.281 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -6.208 16.607 0.627 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 -4.981 -1.958 -2.242 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 -26.738 -13.619 21.747 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 19.592 -25.789 -2.288 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 -6.683 1.602 -3.721 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 3.200 -15.784 -1.744 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 10.263 4.474 -9.572 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 0.921 7.405 5.156 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 0.324 7.072 -5.802 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 -0.766 2.246 10.766 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 -0.721 0.105 -0.076 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 -9.235 21.409 11.067 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 0.020 1.299 -14.011 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 -2.279 2.834 2.097 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 -10.088 2.677 -3.976 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 -11.871 -10.600 -8.989 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 2.244 1.603 -4.039 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 7.145 21.886 -5.780 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 13.710 -10.342 -3.250 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 -3.987 1.611 0.943 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 11.197 -6.118 -30.845 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 -6.579 5.702 -1.572 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 0.764 4.621 1.554 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 -0.066 5.301 -0.073 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 -19.414 -3.870 4.364 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 2.798 5.769 3.700 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 -40.722 -3.499 -4.428 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 8.656 3.809 5.265 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 5.291 -2.248 -5.163 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 -0.080 -0.317 -11.719 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 1.418 -12.542 2.653 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 1.619 -6.522 -1.388 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 12.158 -17.127 -8.410 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 -9.776 -2.492 3.088 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 5.567 -0.135 3.666 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 -2.844 6.619 4.394 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 15.779 10.602 18.153 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 2.823 -3.495 -3.879 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 9.748 -0.724 -20.108 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 0.781 -3.230 9.367 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 -9.113 -5.957 -3.135 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 -13.600 -12.066 -3.950 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 13.638 17.577 -9.618 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 -4.819 3.584 1.948 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 -0.755 10.061 -8.720 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 3.176 9.735 -3.592 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 0.364 5.530 -2.657 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 8.161 6.253 -1.010 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 -9.067 -17.352 -10.041 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 3.058 -2.400 -2.553 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 20.075 -25.307 -7.525 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 4.461 -2.914 -2.841 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 -4.089 2.371 4.657 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 4.646 12.600 14.902 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 -1.160 -1.519 9.818 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 2.834 2.455 0.478 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 21.345 -15.125 -35.836 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 -6.864 -4.813 0.262 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 -3.761 6.399 -3.481 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 -14.546 6.076 -10.430 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 -11.578 10.795 5.549 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 4.200 9.056 3.544 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 -7.792 5.398 -6.159 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 -13.640 -0.004 2.241 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 -2.187 -2.842 2.101 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 4.886 7.042 -0.837 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 14.866 23.576 -15.834 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 0.941 0.988 5.574 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 -9.894 -17.302 17.500 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 -1.123 -7.630 10.812 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 0.281 -0.812 -0.405 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 16.524 -1.208 -7.979 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 -10.615 7.263 9.012 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 1.099 3.221 2.318 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 1.530 -15.209 -0.751 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 -25.134 -2.601 -8.699 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 4.774 -3.199 6.491 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 14.007 17.599 -3.063 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 12.249 2.555 18.317 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 -1.508 4.006 1.530 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 -25.996 -23.444 -7.778 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 -12.951 -8.956 -2.899 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 -1.005 2.572 -4.506 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 18.288 -20.117 6.790 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 -5.205 17.741 -7.560 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 1.054 -0.197 -6.135 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 0.793 4.383 -4.608 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 -2.914 -12.479 -18.128 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 -2.442 3.573 -2.599 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 24.556 22.251 -18.292 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 -1.107 -4.422 4.145 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 -2.495 -6.301 0.281 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 6.169 32.934 12.682 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 0.734 10.914 -10.883 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 2.701 -2.364 0.732 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 -19.595 -3.517 8.225 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 0.221 -13.145 12.124 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 -1.608 -5.020 -2.341 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 0.260 -8.297 -2.571 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 -24.191 6.410 -9.442 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 -2.394 3.170 -1.880 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 -12.948 20.817 -8.065 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 -2.419 29.126 -12.340 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 7.236 -7.472 1.658 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 6.070 6.291 6.060 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 6.594 -11.239 14.624 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 8.508 1.414 -0.959 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 -1.537 -11.874 19.436 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 -1.190 24.360 1.019 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 -0.298 3.777 5.767 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 14.979 12.156 -0.628 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 1.898 6.192 2.655 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 -9.402 0.351 0.992 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 -9.465 -3.994 -9.837 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 -11.259 -18.414 -9.504 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 -8.880 4.550 1.342 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 3.040 -3.570 -0.664 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 -8.338 -7.737 -7.510 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 1.357 0.764 0.814 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 -17.827 -7.345 -4.177 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 5.124 -22.946 6.240 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 -0.433 1.074 3.605 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 2.582 -22.641 9.866 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 0.452 3.723 -1.470 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 3.673 4.797 -1.360 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 -39.711 22.731 -1.250 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 18.431 -9.117 6.685 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 0.404 -2.161 2.933 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 33.659 -6.695 8.129 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 -6.502 4.304 4.800 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 -0.183 -2.783 11.991 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 -9.877 -2.814 1.015 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 1.870 12.888 15.203 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 -0.652 6.568 -2.130 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 13.506 9.393 6.331 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 -15.688 8.164 12.267 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 4.481 -9.958 0.514 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 5.674 -2.276 4.476 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 8.102 -27.839 -0.814 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 -8.608 -3.665 0.620 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 -8.967 -8.868 23.712 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 8.382 14.420 -12.192 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 3.269 -0.234 -2.642 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 -5.744 -13.185 -4.302 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 13.398 1.556 -15.387 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 8.532 -4.526 -1.113 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 -22.482 34.049 8.904 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 -14.712 19.769 1.931 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 -4.201 1.106 -1.801 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 10.357 0.646 -3.471 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 34.887 -0.404 -7.798 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 5.938 -2.562 -3.107 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 -5.446 5.354 13.295 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 -14.393 10.791 24.787 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 2.036 5.483 1.952 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 -2.956 7.144 0.951 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 9.181 0.901 6.623 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 -4.234 -1.890 -6.185 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 -6.135 3.700 -19.754 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 -13.317 20.978 -28.494 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 1.830 -4.311 4.054 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 -0.525 15.005 1.810 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 -1.954 -0.002 15.144 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 -2.941 -4.974 2.543 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 -9.858 -23.503 -1.171 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 -24.313 -3.075 25.124 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 3.990 -2.191 -1.720 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 -13.963 -6.589 20.259 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 -20.225 -8.854 26.519 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 -6.319 2.967 -0.949 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 -3.818 2.158 -3.762 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 -7.752 2.280 -1.475 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 -6.540 3.931 -3.952 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 -1.213 9.345 4.000 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 -6.172 -0.742 -0.534 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 1.087 0.344 -5.041 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 4.263 -1.463 -1.512 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 -4.124 -8.626 -10.920 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 -0.447 7.150 -0.752 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 1.297 -22.659 21.801 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 0.006 -7.895 10.888 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 -0.672 -2.432 -0.647 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 1.290 3.927 -27.151 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 -1.027 9.281 -11.913 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 3.335 -2.259 1.962 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 -1.633 -6.192 -19.610 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 17.165 13.264 5.353 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 -3.812 -2.364 0.178 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 21.104 5.585 27.393 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 -6.861 0.314 4.434 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 0.774 -1.579 8.689 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 -1.060 -3.731 16.123 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 -6.837 -5.056 19.795 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 -3.054 -4.762 0.408 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 -7.170 -13.246 -19.428 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 -0.891 9.757 -1.926 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 -2.500 2.634 2.300 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 40.727 9.055 7.939 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 5.663 -4.122 8.565 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 0.481 -11.652 8.579 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 -2.600 -3.039 4.296 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 14.595 22.549 3.604 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 0.645 -3.769 4.156 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 4.020 12.939 -0.142 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 10.902 -11.419 -5.598 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 -2.979 -0.033 -4.726 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 -24.092 1.782 -5.282 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 -2.703 -2.913 8.927 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 7.160 8.469 -10.669 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 5.269 8.084 8.694 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 5.274 6.490 12.707 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 -7.950 4.095 -7.318 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 10.820 3.209 14.031 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 -25.927 -13.685 -0.682 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 -6.684 -1.500 1.497 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 8.440 -9.431 -12.230 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 -8.567 -1.349 1.837 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 0.855 0.057 -0.109 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 -5.645 -0.310 1.363 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 -2.101 4.789 -2.571 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 -0.001 -4.485 -2.411 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 -4.292 -4.349 -27.197 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 -0.080 -33.993 14.786 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 1.922 -1.155 5.102 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 -4.180 -10.602 2.276 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 19.306 9.287 15.800 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 2.717 -7.178 2.104 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 -0.700 -1.270 34.055 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 -19.567 11.432 -5.418 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 -5.693 -1.047 0.481 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 -18.507 -5.620 -20.818 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 0.250 0.872 6.386 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 -6.734 -4.171 0.398 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 -4.559 -10.559 4.326 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 3.481 2.253 0.429 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 0.570 -2.990 1.965 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 -12.422 1.240 0.152 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 2.382 -3.105 3.087 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 -1.573 8.667 -3.946 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 -16.241 -13.174 -24.780 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 -8.852 2.109 0.561 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 -0.863 -0.975 -0.768 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 1.895 -6.458 17.110 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 -18.677 -6.317 -3.106 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 -0.756 0.337 1.342 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 -1.698 -23.778 11.884 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 -5.492 11.410 -14.245 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 -8.216 2.055 -9.314 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 5.797 2.108 -1.284 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 -7.353 1.666 -6.945 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 -1.616 1.574 -3.813 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 -12.435 -1.232 7.307 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 10.356 -9.009 -10.589 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 -2.226 3.754 -4.927 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 2.988 2.693 -5.081 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 -6.490 7.706 -7.212 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 4.371 -9.094 -4.965 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 4.007 -5.642 -8.290 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 5.943 -13.556 -6.104 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 -2.542 -0.413 -1.812 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 -13.351 1.471 -7.688 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 -11.934 -1.989 -11.739 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 -4.414 -5.336 -3.782 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 -1.740 -19.418 0.726 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 -3.127 11.027 -11.876 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 0.951 0.312 2.539 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 -2.017 2.838 3.108 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 -23.461 11.849 7.447 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 3.319 -0.760 3.910 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 3.364 -7.109 9.782 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 0.431 3.057 23.083 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 5.367 -2.374 -2.330 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 -16.646 -13.866 -21.067 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 -9.997 14.970 19.213 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 -4.597 0.363 -7.904 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 -0.942 -5.518 11.023 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 2.859 -8.846 1.474 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 -0.405 3.292 -4.006 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 4.843 1.454 -4.350 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 -5.694 2.723 -11.003 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 -4.546 1.168 0.677 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 -1.769 -11.855 19.384 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 0.206 1.653 19.500 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 -4.376 -4.508 0.128 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 -5.664 7.016 12.409 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 -6.739 -6.198 -5.714 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 -1.445 -2.028 -4.429 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 -3.710 0.606 -9.908 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 0.028 0.336 -3.624 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 8.469 -3.700 -0.869 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 -2.046 -7.433 7.870 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 -7.325 -9.318 11.684 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 -1.559 1.167 4.473 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 4.865 5.019 8.117 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 -16.575 2.511 -0.167 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 -3.245 -1.097 4.045 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 -5.303 -1.967 -4.024 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 -9.636 -5.879 8.657 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 0.585 -3.785 -0.115 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 -1.061 3.791 6.542 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 10.255 -7.283 2.213 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 3.158 -7.100 1.394 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 19.829 -12.484 1.060 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 43.849 10.637 -8.017 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 1.883 -1.189 1.375 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 -8.638 3.365 -1.520 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 -4.018 6.810 -2.104 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 -1.136 1.760 -1.056 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 -16.948 6.623 -8.840 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 13.591 2.568 4.426 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 -2.042 -8.152 2.993 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 -0.390 15.533 2.567 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 21.834 -10.840 11.449 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 6.404 -3.935 8.061 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 -3.267 -15.945 -27.509 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 -9.020 12.490 -3.122 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 -1.860 -0.378 -2.569 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 -5.784 -4.946 13.086 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 5.920 -1.090 -8.792 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 -1.804 6.082 3.877 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 -20.532 5.034 3.580 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 9.400 13.466 -29.561 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 -0.694 -3.247 -5.378 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 16.625 4.388 3.560 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 10.511 3.766 -0.796 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 -3.341 0.536 -7.806 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 7.012 5.343 -1.557 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 1.379 13.403 -6.017 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 3.350 3.674 1.493 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 3.070 13.174 12.174 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 3.923 -3.328 9.895 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 -2.822 1.647 -0.740 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 16.283 16.172 6.406 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 -18.498 -4.056 -1.752 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 -1.214 1.263 1.840 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 4.358 3.414 15.682 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 8.227 -3.794 -5.934 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 -1.834 -3.897 -3.597 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 -3.828 -0.971 -4.680 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 -12.685 -5.779 -2.300 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 -3.026 -10.993 7.374 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 2.865 -8.985 -15.765 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 9.271 15.381 7.152 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 -0.895 -1.049 1.892 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 13.408 -1.835 -0.414 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 -6.750 7.945 -7.556 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 -3.407 6.941 -8.267 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 2.493 -9.128 -9.148 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 -1.214 7.357 -7.193 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 2.719 4.754 3.589 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 1.342 8.245 5.132 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 5.861 -10.256 -8.997 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 5.986 -5.340 -5.494 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 4.969 -3.409 -7.189 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 19.568 -4.797 32.398 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 4.621 -6.179 -3.844 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 -7.073 11.266 -1.747 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 21.981 -0.395 -5.364 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 -0.559 1.016 -0.207 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 7.446 1.772 12.411 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 2.978 11.445 -11.016 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 0.810 -2.070 -5.282 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 -12.612 4.737 -0.637 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 12.045 -19.983 -11.569 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 -3.831 -4.061 -2.891 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 -14.604 16.637 -7.564 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 7.220 -9.944 -20.157 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 2.197 1.078 1.148 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 24.652 -13.224 -13.928 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 -3.301 13.260 5.184 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 1.567 -0.487 -10.167 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 -15.876 7.488 -5.459 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 -1.262 -8.061 -28.684 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 8.812 2.736 2.055 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 14.139 -0.302 -5.652 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 2.026 -6.884 7.134 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 0.766 0.123 -1.022 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 -0.179 0.847 -0.472 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 3.676 4.257 -9.323 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 -1.876 4.006 -6.317 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 1.470 7.601 -8.623 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 15.811 8.410 -0.397 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 1.982 -5.514 -8.374 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 6.675 -2.249 -2.850 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 7.834 -3.321 -2.785 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 -4.245 5.715 1.235 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 -9.076 -10.627 16.580 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 -10.735 26.952 -14.267 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 -4.117 -0.775 -2.098 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 -10.935 0.843 19.779 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 3.360 -7.464 26.216 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 -4.975 -6.495 -6.188 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 -22.187 -12.528 11.527 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 -12.151 5.130 7.901 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 3.657 0.623 3.539 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 14.209 -15.109 -15.652 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 -2.984 7.516 11.437 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 3.910 4.548 -6.351 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 -7.110 2.074 15.251 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 -10.513 -2.680 -14.244 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 -2.271 -1.374 -7.217 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 4.214 -15.006 -7.243 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 -16.876 5.119 -18.095 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 3.192 -2.000 2.582 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 2.619 -4.014 6.896 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 3.090 -3.090 5.361 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 -0.303 -6.200 -3.225 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 0.253 -23.033 3.041 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 0.962 -7.322 -3.834 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 -1.440 0.807 -1.928 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 -13.569 -4.875 7.190 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 0.580 -4.797 12.591 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 0.545 4.270 -0.872 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 29.825 -31.945 0.509 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 5.598 19.740 9.947 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 2.525 -0.178 -1.871 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 -9.811 1.532 0.828 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 -12.228 14.518 17.187 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 0.681 0.681 0.555 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 -17.322 2.486 11.763 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 7.247 -23.240 -3.945 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 -5.129 -0.015 -0.277 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 -8.729 24.921 7.908 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 -4.450 10.421 4.534 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 -8.043 3.452 2.743 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 -6.412 11.658 -0.887 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 -5.308 1.593 -3.179 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 -0.562 0.122 -3.092 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 -3.690 5.866 -1.564 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 0.321 0.245 -9.876 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 3.604 1.012 -1.604 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 -28.579 6.608 -4.484 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 -1.520 20.304 16.311 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 8.118 3.631 1.885 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 -0.308 -0.215 13.110 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 16.508 14.957 6.894 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 -5.222 0.263 2.442 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 1.203 9.594 16.811 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 4.860 -6.005 -6.906 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 -5.502 6.554 2.803 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 -2.660 -1.607 11.461 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 -7.599 20.654 -2.624 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 3.614 4.662 -1.772 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 -9.539 18.873 5.803 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 40.219 -11.819 11.450 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 1.391 -7.953 0.649 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 3.280 28.104 -33.948 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 -4.852 1.003 -1.669 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 0.531 1.760 -6.561 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 6.430 -3.510 -13.808 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 23.350 15.748 -4.405 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 -2.670 -2.500 -5.747 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 4.513 -12.051 0.870 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 -7.031 0.221 -10.268 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 6.985 0.477 0.999 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 -13.310 11.456 20.627 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 -7.924 -9.298 5.576 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 -7.014 -0.495 0.248 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 7.739 8.407 13.560 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 1.238 14.233 0.005 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 -3.603 -3.293 -0.157 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 -0.238 5.676 12.888 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 8.894 -27.233 -7.307 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 1.123 7.243 3.798 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 9.748 -4.833 7.477 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 2.940 19.514 16.716 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 1.999 -0.173 5.816 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 5.133 10.939 9.413 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 -7.960 0.596 10.251 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 -3.063 -0.085 -1.378 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 -2.892 9.130 -0.572 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 5.104 -11.947 -8.311 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 5.190 -1.819 -2.854 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 1.560 6.774 0.832 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 -7.542 -32.891 -23.196 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 -6.043 0.730 1.220 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 9.803 5.765 11.109 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 -0.681 -16.972 -3.999 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 6.517 6.253 0.002 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 7.212 7.002 -0.748 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 -12.020 -1.496 -8.643 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 1.206 -2.153 1.110 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 -0.039 30.316 -12.357 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 -6.330 -2.538 27.998 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 -0.637 -7.990 -2.256 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 -0.928 -37.892 -16.603 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 9.622 -13.249 12.519 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 0.490 1.768 -5.145 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 -2.948 5.563 -3.062 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 9.698 -6.583 -9.721 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 -0.180 -5.610 -0.550 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 18.060 -8.940 -3.005 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 0.322 6.006 7.485 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 -0.731 -3.299 1.055 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 -5.358 -20.419 2.941 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 6.903 -2.445 9.086 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 -7.127 -10.654 -1.134 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 10.653 -17.522 0.762 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 8.984 -22.041 -1.688 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 -9.229 2.633 0.584 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 -22.375 -2.754 26.274 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 -11.209 1.609 -4.101 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 -4.458 4.320 0.586 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 -22.809 -5.467 19.360 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 4.138 8.923 5.705 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 3.136 1.992 3.694 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 12.354 9.238 9.432 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 1.388 -3.312 0.849 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 -3.716 -0.987 -4.028 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 -7.920 7.910 19.002 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 -11.868 -15.126 -15.796 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 -5.668 2.422 -2.338 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 -10.780 -1.075 -9.859 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 18.072 10.598 15.096 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 2.075 -4.983 -3.659 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 4.181 -1.789 -9.809 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 2.193 -1.171 -7.894 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 3.178 0.901 2.516 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 10.281 -2.823 -20.779 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 -9.298 9.123 -2.910 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 -1.498 -3.601 11.632 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 18.411 -2.384 17.352 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 -5.594 -28.076 18.827 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 9.884 3.587 4.240 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 -14.042 -7.405 2.460 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 32.008 2.441 11.112 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 7.028 -2.441 -3.770 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 16.232 10.721 2.803 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 13.033 -4.508 -4.476 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 -1.420 -10.025 0.834 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 19.630 -17.666 -1.515 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 1.952 -4.373 -1.471 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 -7.511 -7.117 3.529 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 -2.876 -11.578 6.077 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 6.362 -19.357 27.773 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 -4.606 1.350 -3.200 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 -8.196 -0.826 -0.138 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 -3.701 -20.344 -1.602 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 -2.822 -1.207 0.433 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 1.829 11.050 16.114 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 5.317 0.957 1.324 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 -5.677 -3.116 2.186 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 -8.665 11.101 -13.603 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 -35.270 -14.195 3.502 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 -1.402 -4.608 -1.800 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 -13.468 4.191 31.676 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 21.131 15.834 -5.443 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 1.127 -6.848 -1.056 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 -3.787 -1.242 7.648 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 -4.395 -16.523 1.499 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 -0.476 -5.684 1.412 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 1.313 -2.356 1.332 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 -4.374 16.092 5.022 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 5.794 2.065 -9.664 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 8.338 16.382 -1.814 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 -2.426 -9.940 -16.313 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 2.492 -0.455 0.323 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 -3.063 2.296 1.267 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 6.026 20.318 -12.711 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 0.247 5.785 2.045 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 -0.918 1.705 6.373 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 6.105 3.857 -1.195 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 1.691 3.301 3.961 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 -9.389 19.459 27.699 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 -9.369 -14.273 5.064 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 -0.603 5.847 -0.485 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 -19.941 0.295 -3.143 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 -3.888 7.027 2.394 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 -0.771 -1.846 -4.136 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 1.778 1.601 -4.829 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 -1.562 -2.891 -4.161 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 -2.894 -0.244 2.382 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 -3.400 10.226 4.311 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 -0.015 -4.096 13.301 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 -1.717 4.138 3.300 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 8.276 16.494 11.204 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 -14.624 12.990 16.530 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 -1.898 -2.146 2.440 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 -29.028 -14.821 17.086 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 -13.763 -0.396 -2.519 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 -1.224 11.735 0.747 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 12.348 1.009 -4.028 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 9.136 15.763 -10.320 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 0.133 1.970 -3.334 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 7.865 8.938 5.911 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 5.818 3.550 -1.884 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 -1.593 -2.537 0.071 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 -0.537 -10.660 1.128 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 0.360 4.926 -10.700 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 -3.334 0.005 0.766 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 -5.256 28.740 20.583 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 19.288 24.697 14.562 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 -0.367 5.089 4.718 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 19.226 11.979 18.496 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 -0.005 17.409 0.428 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 0.149 -5.035 -1.801 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 3.185 -0.664 -3.485 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 -1.076 -9.207 -4.983 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 -3.922 -5.842 4.313 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 0.406 -4.173 -21.358 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 -16.758 0.720 7.603 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 1.320 -1.979 1.058 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 -13.856 -1.018 -4.644 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 0.345 -0.460 14.591 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 2.697 1.145 2.270 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 4.148 12.916 -13.975 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 6.077 -2.344 -1.579 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 -0.053 -8.773 5.488 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 30.531 -5.282 15.889 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 9.939 -14.700 10.898 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 -3.050 1.333 -0.562 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 9.767 4.045 -8.332 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 -20.862 -10.745 -12.336 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 -8.137 -7.147 -1.928 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 -10.804 -15.384 6.521 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 7.755 -8.739 -7.809 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 -2.572 9.273 2.173 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 -17.613 11.709 -2.841 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 6.908 5.231 8.150 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 -0.650 0.029 -7.935 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 12.373 -29.891 -10.171 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 -19.213 2.423 -4.189 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 -1.869 2.398 -4.567 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 -10.712 16.861 -1.184 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 -0.225 0.601 3.906 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 3.681 -8.890 -4.559 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 16.198 -5.042 3.503 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 -6.319 5.380 8.089 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 4.888 -5.313 4.641 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 -5.067 -3.307 -2.087 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 -17.736 -19.208 13.421 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 2.546 -5.298 -0.308 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 14.129 -13.787 11.457 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 -0.971 -2.192 -6.315 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 -0.216 8.770 1.417 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 3.237 -1.341 1.680 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 4.757 -2.496 1.362 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 -0.156 1.776 0.165 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 -14.836 9.042 28.514 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 12.262 -3.298 14.530 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 1.730 0.476 -5.406 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 11.800 2.466 6.584 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 -10.222 8.539 -6.349 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 -1.843 5.835 3.125 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 -2.465 2.846 2.900 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 -2.906 7.294 15.574 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 -6.047 4.074 -0.078 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 -1.634 -13.148 32.684 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 8.752 14.459 2.648 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 -6.852 -4.568 -1.694 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 5.601 1.954 -2.749 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 -13.264 -27.071 2.000 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 -5.865 2.315 -4.661 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 3.098 5.776 -10.343 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 -28.485 -6.009 10.261 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 7.941 4.260 0.236 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 5.835 5.161 -11.265 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 9.791 -9.795 2.359 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 6.644 2.231 4.136 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 -3.616 1.511 3.840 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 1.177 -4.038 4.092 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 5.916 7.350 1.797 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 -17.407 5.996 21.617 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 -5.105 14.927 13.333 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 -1.193 4.458 -1.816 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 0.981 -4.633 -5.075 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 -6.668 23.731 -5.505 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 0.747 -1.198 2.985 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 -15.916 -20.152 13.654 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 -4.041 -2.059 -7.675 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 0.073 1.094 -0.329 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 10.527 -1.843 -9.343 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 13.110 7.532 0.426 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 0.227 1.664 -0.165 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 4.219 12.019 4.347 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 9.207 -2.989 -4.986 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 1.192 -7.228 3.445 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 -12.936 -14.149 -1.535 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 28.615 8.145 9.573 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 -1.658 0.635 0.093 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 -2.615 -16.507 8.802 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 -4.684 8.150 -1.631 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 0.815 -6.027 2.521 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 -12.046 -11.193 5.350 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 -2.938 -5.323 4.751 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 -0.595 -6.135 -5.026 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 -21.829 -25.984 -0.923 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 22.980 24.234 -7.100 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 3.881 4.742 -4.793 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 -10.563 8.015 9.831 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 16.060 20.088 -8.349 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 6.638 -5.218 1.016 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 11.159 -8.275 14.443 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 5.675 -5.346 0.984 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 0.702 0.046 2.720 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 -8.458 33.204 -2.558 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 -18.781 -15.190 7.786 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 6.009 -3.808 2.408 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 20.772 -6.508 -0.278 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 12.065 -2.263 -10.408 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 7.491 -5.227 -3.335 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 -1.703 -19.580 -23.711 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 8.337 -3.906 -2.514 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 -0.108 3.697 -6.072 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 0.296 3.577 -5.757 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 5.766 1.514 -3.921 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 0.262 0.476 -2.374 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 13.908 -1.732 -8.441 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 3.419 6.003 2.500 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 4.227 -3.889 1.539 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 6.951 -5.532 -8.098 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 -14.825 -0.457 -19.501 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 -0.911 -3.204 -0.020 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 0.185 -4.288 10.764 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 5.279 5.285 32.186 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 5.045 2.594 2.064 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 -20.393 15.105 -15.431 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 -18.932 7.134 11.334 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 2.899 -2.910 -3.063 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 11.313 -2.568 -3.544 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 7.398 -1.473 -3.564 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 -7.874 1.236 -0.054 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 1.182 -20.751 15.686 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 -14.012 10.019 -8.944 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 2.925 7.768 -2.313 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 2.163 18.425 3.273 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 1.738 9.917 -0.015 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 3.970 -2.620 -0.253 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 7.114 -3.272 2.558 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 -17.918 4.659 -22.322 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 -3.586 -1.930 -5.186 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 -16.129 4.238 -12.754 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 19.337 -15.595 6.782 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 -0.706 -2.610 -6.618 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 -20.330 5.117 -5.729 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 1.252 17.908 -5.396 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 2.847 -3.860 -1.804 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 8.634 4.074 13.853 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 -19.031 -4.059 -20.441 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 -0.880 -2.839 -6.857 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 -4.616 7.315 -9.112 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 -1.115 -2.744 11.404 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 -0.696 2.538 -7.723 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 2.591 -1.512 -8.052 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 -9.148 18.188 -10.465 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 3.257 1.180 -3.649 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 15.598 -9.479 5.324 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 -26.166 28.000 -22.480 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 4.266 -4.358 -1.409 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 11.223 3.601 -18.849 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 -6.025 -26.935 -10.167 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 -2.716 1.689 -8.396 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 -4.066 10.716 -3.084 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 -4.797 11.907 -3.350 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 -8.641 1.434 2.825 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 10.805 -2.264 2.753 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 -5.398 -1.336 -6.170 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 -2.591 2.649 5.803 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 -2.614 -7.079 25.764 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 -4.554 7.992 4.195 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 6.787 -4.038 -0.930 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 -2.903 34.496 6.274 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 -12.368 -1.478 4.656 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 10.193 4.399 1.160 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 17.952 -12.556 15.301 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 22.909 -5.856 -21.252 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 -3.534 -2.276 -1.584 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 -10.209 -0.969 -9.357 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 -3.388 -4.019 -0.280 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 -0.593 1.577 4.119 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 -16.776 1.031 -2.646 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 5.843 3.140 5.766 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 1.122 5.140 -10.248 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 -27.485 -5.728 -0.129 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 10.072 -14.486 -19.942 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 -3.047 3.693 4.780 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 -3.936 -4.247 18.833 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 1.719 -22.778 33.533 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 -1.086 6.183 -8.165 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 -13.423 11.282 3.420 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 21.221 -23.300 5.363 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 -6.232 7.452 8.320 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 -5.665 18.958 7.902 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 -24.612 13.101 -17.397 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 2.083 -1.922 -2.664 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 -14.164 16.959 1.864 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 -7.107 3.472 -16.843 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 1.067 -3.537 6.569 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 4.439 8.593 -0.934 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 -4.503 -7.584 -10.315 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 1.934 -2.896 5.026 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 0.806 -0.833 -0.019 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 -2.692 1.522 8.135 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 -6.475 3.518 3.557 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 -4.831 7.102 5.561 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 12.865 6.886 13.898 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 0.233 0.186 4.766 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 -5.687 4.533 14.140 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 -6.438 3.445 -5.515 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 7.428 3.802 -4.150 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 19.057 -9.887 9.124 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 26.662 -8.792 18.727 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 0.698 -3.301 -0.187 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 -2.299 4.859 13.190 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 5.859 6.993 -6.263 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 0.185 0.073 -0.070 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 19.884 -22.340 -0.234 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 -21.711 -12.570 -9.575 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 2.012 2.115 -2.359 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 -18.731 -4.010 24.700 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 -10.973 4.511 -16.540 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 -2.021 8.969 2.908 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 -4.394 -9.956 36.614 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 -7.339 16.750 -5.327 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 -6.499 3.088 -1.052 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 -0.538 5.963 11.024 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 -14.871 -3.242 -21.408 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 3.863 -0.471 6.111 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 -1.308 -18.154 24.430 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 -6.608 -0.663 -17.606 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 3.454 -7.323 -0.337 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 19.217 -8.398 0.291 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 -2.403 5.877 9.888 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 -1.154 -0.264 2.203 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 5.771 -9.828 -0.985 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 -5.667 2.414 13.205 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 4.813 5.039 0.724 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 11.963 -4.459 -7.060 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 -3.698 -14.987 -6.025 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 -0.095 -0.894 1.646 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 -32.770 12.448 6.957 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 -17.901 6.293 -25.490 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 -4.441 -2.823 -3.257 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 22.948 5.625 10.097 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 -32.173 -4.604 29.005 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 -5.132 1.370 0.547 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 -6.847 2.190 0.284 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 -0.292 2.673 4.025 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 -1.477 -0.018 2.481 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 -0.986 -1.413 4.133 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 -3.254 -1.449 -1.043 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 0.845 1.401 -2.379 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 16.980 -5.995 4.989 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 10.731 2.441 -11.273 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 1.698 -1.550 -2.298 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 -12.780 1.145 -2.614 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 -11.760 -9.391 1.031 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 -1.950 -0.990 -5.727 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 -16.086 -1.772 1.424 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 -18.677 7.169 1.896 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 -7.396 -0.026 0.802 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 0.034 6.630 16.786 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 -27.708 -13.488 -12.435 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 4.898 4.660 1.911 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 1.453 10.321 5.196 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 14.527 -5.968 -9.484 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 0.900 -1.341 0.710 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 -3.082 -15.804 -2.289 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 13.213 -10.533 3.898 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 -0.784 2.360 0.874 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 4.450 10.583 -9.007 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 -3.887 1.185 -0.938 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 1.537 2.562 -4.718 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 14.803 2.475 19.774 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 -14.531 16.007 9.102 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 -2.396 -3.516 -1.043 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 -16.906 2.187 15.774 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 15.612 -9.060 13.913 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 -2.810 -0.338 -2.047 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 4.154 -15.232 2.052 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 -5.280 7.633 -4.897 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 -4.241 -0.333 0.290 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 -6.406 9.834 11.732 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 9.984 -1.045 -7.054 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 -3.006 4.700 -1.011 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 4.402 4.817 -1.354 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 -13.613 -3.179 -13.049 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 -3.838 4.068 6.862 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 18.547 -5.416 19.235 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 3.190 -0.877 14.130 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 -1.249 5.074 -0.188 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 -0.670 4.840 0.246 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 -1.343 4.968 0.599 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 0.117 -3.047 -0.180 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 1.507 -9.292 -14.661 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 19.158 -4.840 -4.173 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 -4.091 -1.800 -2.714 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 -7.459 -2.415 -3.280 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 -4.207 -4.085 -7.647 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 4.512 -3.852 -1.537 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 2.987 -1.866 -3.781 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 6.244 -5.616 -0.137 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 3.011 -1.511 1.323 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 -9.942 -12.316 5.853 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 1.190 7.651 10.001 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 -1.006 -4.909 1.567 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 -9.080 7.292 -10.018 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 6.700 -6.620 6.479 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 -0.765 0.024 1.720 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 -0.561 -1.123 3.788 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 -3.530 -4.091 24.886 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 -5.613 4.501 -1.791 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 10.446 22.731 28.173 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 -10.250 -6.137 -16.003 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 5.302 1.069 6.081 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 0.731 7.822 8.596 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 29.789 -8.557 27.597 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 -9.600 1.258 -1.895 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 -17.639 8.231 -2.042 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 -8.679 1.216 5.676 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 -3.985 -1.172 -6.211 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 -20.264 4.234 -3.608 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 8.068 16.703 3.473 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 -1.551 -3.702 3.677 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 -1.101 -8.114 5.834 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 -5.870 7.267 1.749 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 2.446 -0.445 -0.574 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 0.878 -8.592 -16.349 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 2.387 -10.138 -9.595 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 2.063 -1.898 0.073 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 -0.655 -12.080 -16.326 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 0.949 15.985 -4.384 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 3.340 -1.444 1.620 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 2.804 18.709 -9.153 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 -3.117 -15.300 -5.679 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 4.310 -4.061 5.703 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 -7.382 3.442 -4.571 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 -11.415 -6.745 -1.915 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 0.380 -1.798 -2.802 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 -7.158 3.432 -0.809 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 -10.489 10.725 -7.031 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 -7.512 -4.747 -0.450 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 15.183 -7.474 16.828 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 7.180 10.124 20.214 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 -0.395 0.169 2.761 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 -6.527 -0.238 8.381 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 4.927 -1.677 1.674 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 -3.488 -1.175 -7.560 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 -14.354 14.780 -10.399 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 -5.253 6.972 -13.474 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 0.606 8.265 0.818 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 5.020 14.267 -5.613 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 -6.682 0.934 10.148 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 -1.569 -1.254 3.182 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 1.603 12.331 9.153 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 -18.918 -5.411 13.578 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 3.484 0.230 -1.457 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 19.912 -2.824 10.888 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 -3.957 -0.051 -3.601 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 -1.415 4.543 0.290 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 7.218 -1.023 -5.571 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 7.976 16.405 -16.691 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 -0.947 -3.780 -0.178 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 9.084 -10.610 0.283 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 -23.187 -11.483 11.080 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 5.367 2.967 -3.335 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 -28.397 -8.454 -0.546 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 -15.507 -12.982 -7.252 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 -3.683 -5.298 4.488 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 -16.898 10.284 11.085 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 -27.569 19.896 16.770 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 -0.033 -2.422 0.168 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 23.892 6.117 13.871 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 22.782 9.656 -9.814 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 -1.082 5.198 -7.001 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 -1.786 8.977 -5.273 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 -3.683 -9.153 -6.663 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 5.726 1.102 6.894 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 -7.498 8.183 5.251 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 -23.194 2.007 5.183 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 -7.643 -5.414 -4.407 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 -5.437 -25.058 3.761 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 -2.268 12.481 7.785 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 4.051 -1.133 -1.282 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 -3.811 -3.302 -8.604 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 15.429 4.658 9.662 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 5.105 -1.282 -9.011 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 5.237 1.282 -0.585 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 7.274 6.824 12.472 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 4.665 2.399 0.749 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 5.511 -3.705 -24.147 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 -2.136 7.543 13.590 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 -1.868 -5.867 -8.145 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 10.734 -11.195 10.640 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 19.046 6.826 5.340 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 -5.689 -0.718 0.407 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 -4.423 8.877 11.232 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 -20.677 6.118 -3.757 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 -0.181 6.334 1.891 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 -3.851 10.064 5.356 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 -0.437 3.242 -13.243 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 -0.475 -1.345 0.061 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 0.585 7.225 2.399 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 9.006 -3.717 -10.027 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 3.895 0.239 -2.795 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 3.536 0.333 -0.752 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 1.885 3.099 4.250 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 1.267 -1.867 1.110 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 -0.893 -17.742 10.574 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 -13.570 -1.315 -12.053 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 -4.883 5.145 -2.027 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 -1.162 4.888 -9.568 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 -11.745 1.236 -4.355 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 -1.865 -1.697 -3.068 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 -6.046 -2.521 -0.473 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 -7.129 -3.045 0.311 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 0.758 2.555 -3.206 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 -3.416 -1.396 -10.326 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 -1.213 0.593 -6.534 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 0.838 0.538 1.200 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 -9.754 -19.261 7.508 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 -4.778 -6.263 10.318 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 2.357 4.221 -2.070 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 -1.163 1.381 -11.103 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 -3.751 -2.318 -6.798 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 -1.023 -5.858 -1.348 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 -0.265 -11.919 -11.331 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 1.658 -4.394 -15.146 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 5.197 3.602 -5.628 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 -2.401 5.706 3.544 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 -2.579 -1.083 -21.592 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 -2.598 -2.767 1.082 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 -11.630 -1.823 11.996 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 -8.542 10.978 -14.425 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 0.921 3.455 -2.991 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 -4.751 7.803 2.077 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 1.438 -5.637 0.594 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 -0.984 4.037 2.296 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 3.777 5.166 -1.788 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 9.334 -14.606 15.522 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 3.188 0.896 -1.473 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 -7.930 4.003 13.246 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 2.270 2.427 3.355 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 -8.807 -5.087 0.069 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 -2.667 1.623 4.035 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 13.043 28.381 28.494 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 -2.737 4.839 0.194 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 2.295 -3.840 -20.542 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 -0.386 -26.809 16.309 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 -4.851 -4.774 2.636 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 -32.496 14.802 22.365 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 -2.960 -5.560 1.895 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 -1.451 -4.912 3.271 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 -3.778 -26.734 -11.249 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 -13.081 13.880 -10.257 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 1.068 0.111 -0.253 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 24.277 -4.756 0.697 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 11.411 9.406 1.683 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 1.548 -6.688 1.437 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 -11.888 -5.811 -0.208 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 0.969 -1.668 -14.942 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 3.766 -1.020 0.160 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 20.577 -8.865 -25.623 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 32.236 15.575 2.084 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 -2.527 -5.598 -6.778 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 -5.657 -6.585 -16.320 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 7.528 3.124 18.478 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 -2.587 -2.332 2.538 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 2.567 3.328 -0.714 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 -6.965 20.026 6.947 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 0.879 -0.623 -3.108 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 1.445 21.787 -11.550 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 -14.806 -6.047 -11.619 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 -5.279 4.683 3.598 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 12.361 12.788 -5.568 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 -21.866 -5.407 9.441 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 3.302 6.284 -1.514 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 -2.696 -2.366 -13.924 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 5.059 8.938 2.305 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 0.480 1.122 -1.312 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 20.869 -18.791 33.696 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 13.317 4.258 24.464 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 -5.089 -7.006 -3.136 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 8.786 4.492 6.420 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 3.712 38.858 11.445 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 -3.405 -3.477 -3.517 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 6.919 -10.896 -11.728 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 -2.185 -8.988 -21.705 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 1.281 2.512 4.207 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 -4.421 0.600 2.477 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 -6.557 -15.754 -19.307 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 0.685 -2.513 -4.105 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 -1.166 2.842 -5.194 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 -2.292 4.474 -18.251 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 1.365 5.751 -5.212 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 -18.387 44.893 -7.147 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 13.441 -8.136 0.272 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 -0.947 2.636 0.820 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 -0.215 5.510 -2.733 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 0.627 -3.046 2.769 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 -7.347 -7.981 3.726 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 -7.784 -8.367 13.912 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 3.429 -6.679 1.217 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 -1.310 1.322 -5.674 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 -6.544 15.812 -1.001 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 -5.531 10.095 -4.445 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 0.265 -9.208 6.372 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 -7.464 -24.388 -0.700 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 -8.702 34.566 -20.661 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 -2.497 3.387 4.431 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 -0.423 -0.698 14.886 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 -15.238 9.305 4.915 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 -6.153 -1.907 -0.948 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 -10.470 14.312 -0.221 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 -25.121 -27.980 -3.080 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 -3.575 5.169 -0.796 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 10.285 -7.087 -22.584 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 12.963 10.995 20.128 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 2.986 -0.765 3.747 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 0.989 4.094 0.153 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 8.505 1.980 1.534 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 -5.711 0.094 1.071 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 -14.044 7.661 -14.965 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 11.018 7.825 16.004 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 -3.999 -0.455 6.720 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 6.623 -2.338 1.672 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 5.493 -14.594 -2.849 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 -5.205 -1.656 0.720 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 3.789 38.089 -6.952 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 -10.583 -14.266 22.331 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 2.858 -7.655 -10.436 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 -8.778 -8.551 4.691 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 -16.486 2.312 -13.028 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 -0.529 5.917 -0.279 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 -2.189 5.954 -0.506 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 -24.175 -3.655 -8.242 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 -1.995 -1.459 -3.971 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 -30.786 -28.524 10.055 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 18.196 -4.140 7.305 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 -5.764 -0.823 -0.504 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 4.800 -12.833 -13.597 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 7.820 1.265 -4.505 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 2.619 1.827 -6.155 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 0.921 9.600 4.403 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 1.368 2.150 -5.758 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 -0.549 -4.569 -5.338 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 -3.377 -28.277 6.703 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 10.211 27.859 -19.969 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 -1.678 -5.151 -3.947 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 -12.501 -37.608 5.170 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 18.265 23.225 5.363 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 4.006 8.846 1.956 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 2.612 -15.575 -13.527 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 -27.260 -10.293 -21.869 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 4.804 -1.048 -0.472 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 26.591 -4.229 10.260 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 0.590 -9.312 -2.709 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 2.557 5.070 -6.758 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 -4.723 18.092 21.086 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 -0.603 10.852 1.301 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 -7.574 -7.271 -2.680 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 -4.271 -7.071 0.036 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 -4.146 2.642 -16.860 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 2.065 7.725 3.830 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 -11.173 6.892 -15.932 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 -3.450 13.322 29.605 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 -2.258 4.615 -1.202 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 39.459 -14.422 13.260 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 1.632 6.276 8.601 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 6.099 -1.299 -7.221 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 6.550 4.101 -0.708 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 3.571 -2.180 -7.854 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 -1.793 -2.317 -2.831 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 -1.162 3.731 -3.415 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 -0.941 -3.586 7.421 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 -6.486 -0.629 0.164 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 -5.744 -15.493 8.177 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 18.526 -21.743 -17.988 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 0.161 -1.134 4.635 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 -22.691 -21.822 -1.852 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 -1.347 -2.417 4.345 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 -0.806 -5.600 -3.330 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 1.637 14.491 -9.866 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 -0.121 3.555 -3.229 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 -3.750 -4.252 -2.879 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 -18.971 -4.382 4.820 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 4.342 8.642 -10.100 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 -7.395 0.810 5.410 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 -3.711 -13.602 3.360 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 -7.242 19.230 4.081 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 -3.615 -0.591 -1.361 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 10.802 15.695 -4.002 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 -15.926 -14.682 2.028 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 -1.337 -0.213 4.213 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 2.383 -8.956 -0.189 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 20.794 -5.119 3.266 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 -0.032 -5.142 0.687 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 3.253 -4.741 2.606 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 -3.803 -3.220 -2.339 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 6.618 0.177 -2.961 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 -16.206 8.663 -1.712 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 14.985 17.699 -12.100 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 1.909 0.329 -4.805 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 -0.353 0.852 -6.866 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 -6.539 3.140 -10.903 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 -1.018 -1.862 1.157 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 -7.443 -3.669 12.601 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 -2.158 12.939 0.597 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 -4.020 2.086 -6.009 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 -17.130 -5.345 -13.089 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 6.502 -7.419 -5.083 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 -2.238 -4.716 -0.702 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 9.838 6.975 -5.156 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 -3.214 -6.532 4.060 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 -0.970 4.563 -4.120 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 -6.206 26.105 1.409 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 -11.648 -9.018 8.277 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 0.675 3.510 -0.883 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 -29.161 4.631 -9.223 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 13.192 2.115 -24.183 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 -1.545 -1.220 7.109 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 1.085 0.493 5.613 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 -5.819 -4.242 8.045 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 -0.184 2.234 4.926 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 6.279 -8.132 10.268 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 4.750 -16.943 -3.698 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 10.902 -1.011 -5.542 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 8.846 -3.206 -0.299 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 2.683 -1.307 -6.857 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 1.358 -3.570 5.154 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 -0.088 -4.730 6.053 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 5.715 0.759 0.195 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 3.533 4.213 2.063 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 -1.267 -4.712 2.885 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 -16.471 -8.844 0.156 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 -4.203 -0.889 0.775 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 -17.212 -1.753 5.405 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 -7.833 -0.593 1.914 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 1.289 2.458 0.240 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 1.193 15.861 -7.719 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 -1.749 -0.922 -3.446 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 -1.075 1.687 4.011 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 12.697 -1.009 -10.824 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 5.915 -13.277 7.686 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 -4.020 -7.697 -4.820 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 0.400 -4.805 9.115 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 -7.829 -9.602 -2.349 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 0.764 -2.103 5.320 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 15.840 4.372 -28.835 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 5.175 28.483 19.316 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 2.951 5.612 -0.567 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 17.547 -9.818 -13.285 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 -2.087 7.168 2.513 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 4.150 -7.910 -0.220 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 -19.134 0.669 7.886 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 13.819 -28.325 4.995 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 1.085 -2.377 2.810 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 -4.965 -1.098 10.787 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 4.618 6.636 -1.359 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 0.464 -0.015 1.448 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 26.984 8.600 -6.903 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 -5.339 2.353 -12.634 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 3.841 -2.519 2.687 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 -3.687 8.792 -0.729 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 -11.414 12.954 -2.900 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 -5.527 -0.094 2.050 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 6.883 -1.318 11.295 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 -12.682 -13.491 5.293 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 2.158 -5.082 0.109 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 4.274 -14.205 3.933 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 -2.132 14.190 -8.002 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 -1.449 1.159 -4.318 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 -8.444 15.815 -24.882 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 -3.327 13.235 -9.522 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 -3.861 2.880 4.011 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 -12.625 -25.262 -7.650 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 0.141 19.124 12.689 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 7.925 3.231 4.173 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 -3.059 14.989 -9.089 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 16.289 9.348 9.697 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 2.105 2.232 1.317 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 4.471 -3.781 5.529 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 -0.960 0.415 9.869 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 1.268 0.117 -5.394 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 1.788 30.871 -10.174 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 13.919 -4.133 19.359 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 -9.472 -1.081 -1.237 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 -9.595 -0.722 -2.560 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 0.531 17.161 -6.660 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 0.466 0.188 2.357 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 -5.135 1.873 28.690 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 -1.944 0.647 16.065 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 2.726 -1.593 -1.747 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 9.660 -18.497 28.133 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 8.889 15.302 -16.805 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 3.306 6.384 4.481 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 16.577 9.528 -5.826 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 -7.965 1.195 11.475 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 -3.281 5.984 5.703 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 -0.204 -0.099 -1.775 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 3.907 -6.083 2.553 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 4.801 6.353 -3.988 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 -2.503 -18.666 0.630 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 7.814 -0.299 4.092 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 -3.057 1.378 -1.586 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 0.108 8.717 9.276 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 3.155 8.968 -13.931 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 -2.685 0.344 0.562 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 16.544 3.066 13.551 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 -19.124 11.853 -8.848 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 1.820 -1.095 0.359 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 8.527 1.990 1.710 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 -7.827 12.775 9.201 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 4.962 9.511 -2.850 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 3.009 -1.294 4.678 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 4.004 -23.804 18.139 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 -0.493 1.827 -1.759 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 1.484 0.101 -1.580 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 4.253 2.227 12.912 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 6.310 1.914 0.045 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 7.085 4.787 0.635 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 7.217 1.646 1.640 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 3.274 3.789 -1.891 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 20.165 18.007 -8.735 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 -37.155 -15.457 9.294 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 6.046 -0.516 3.378 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 17.753 1.721 6.914 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 3.985 -12.770 15.701 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 -1.788 3.295 -0.773 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 19.185 -36.537 12.612 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 -4.515 16.212 -0.755 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 -0.237 4.666 5.054 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 14.344 9.431 -3.338 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 -6.594 1.685 10.160 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 3.335 4.308 -5.015 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 5.857 -1.806 -7.347 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 -0.992 9.167 7.526 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 -1.284 3.050 5.286 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 -16.950 16.409 15.140 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 6.910 8.190 -21.920 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 0.374 1.344 -1.127 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 3.462 7.450 -11.719 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 -4.101 -2.386 -1.926 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 6.913 1.432 2.375 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 3.223 5.555 0.674 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 5.286 3.050 2.055 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 1.952 1.646 5.974 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 7.952 1.532 -1.477 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 -0.628 1.851 9.587 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 -4.342 -1.651 -4.021 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 -4.683 22.665 -0.089 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 -10.590 -6.703 -5.916 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 2.244 -1.971 0.467 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 -0.037 7.254 -14.235 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 8.134 -2.579 16.453 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 1.428 4.484 2.643 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 -12.760 13.986 -15.547 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 29.447 0.072 -2.348 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 0.456 -2.017 -0.925 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 14.219 10.124 9.349 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 -13.707 -7.930 13.144 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 1.407 -1.924 -0.918 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 -9.962 -5.990 1.172 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 8.456 0.348 -2.671 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 -1.205 1.992 -2.768 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 10.017 -7.506 6.174 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 -1.075 11.843 5.935 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 -3.017 2.522 -4.772 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 -8.228 1.628 -23.403 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 -7.286 3.842 14.253 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 -5.805 -8.584 -4.282 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 -1.275 -15.823 -5.007 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 -10.771 -5.305 -0.823 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 -2.811 -6.864 -1.113 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 11.053 -24.709 -5.615 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 -3.684 11.097 2.054 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 1.709 5.326 1.175 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 -10.796 -0.635 6.699 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 10.914 0.014 -2.525 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 2.569 6.212 -1.584 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 1.198 -3.050 7.448 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 -25.948 -15.919 -3.778 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 3.252 3.967 -9.002 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 -5.527 -1.577 8.393 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 -10.231 -12.215 -10.594 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 -9.050 2.690 -2.870 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 3.554 11.570 -8.623 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 -12.905 -18.353 -10.519 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 3.861 0.687 -1.766 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 5.101 0.937 12.411 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 -11.116 -8.708 -3.082 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 -0.721 3.726 2.559 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 -5.491 10.741 -21.182 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 -5.510 10.860 -20.987 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 0.744 1.870 -2.966 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 -3.113 -3.258 3.459 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 -12.700 -10.046 7.794 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 -4.897 -2.228 2.159 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 11.836 -21.980 -3.164 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 -13.816 -29.642 8.179 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 -0.988 0.488 0.713 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 -2.257 -5.792 17.652 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 -3.324 -13.966 -9.545 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 2.404 -3.283 2.518 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 -4.203 0.435 1.182 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 -1.695 -19.267 1.216 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 0.242 2.901 1.977 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 2.178 7.571 25.016 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 15.262 -8.006 -11.662 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 3.276 1.899 2.005 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 15.139 -0.697 -13.560 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 -18.567 7.752 13.131 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 1.493 -3.841 -0.865 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 -1.473 9.961 -2.468 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 -2.266 -15.121 -18.739 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 8.232 1.772 -1.974 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 -13.324 -5.016 -5.416 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 -3.761 -29.911 -10.204 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 5.004 -3.300 -4.411 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 13.217 -16.596 26.248 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 -11.865 -0.260 -15.403 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 2.593 -1.465 -2.105 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 6.309 12.666 7.939 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 4.926 8.150 4.424 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 -6.495 -0.209 -4.221 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 -7.975 5.633 -7.551 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 -4.744 -8.228 3.626 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 0.662 3.182 0.802 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 -11.161 6.487 18.356 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 6.312 2.649 -9.367 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 -7.087 3.036 -6.246 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 -17.224 6.575 0.949 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 18.158 -11.684 -13.420 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 0.242 -0.016 -0.192 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 10.536 -1.659 -4.478 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 -1.851 -7.561 -12.164 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 1.755 -5.620 7.518 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 -26.134 6.734 5.738 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 3.035 -20.856 -16.790 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 3.029 1.082 -3.758 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 0.521 -7.740 -1.152 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 -4.503 -4.123 -4.636 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 -2.737 10.766 1.737 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 -5.213 18.467 24.415 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 -6.364 7.786 6.993 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 -0.248 -0.423 -6.691 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 -11.217 -7.606 5.025 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 19.132 -6.274 -0.231 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 3.097 -1.930 5.034 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 1.786 0.078 10.296 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 5.575 -2.979 4.783 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 -1.274 0.211 -0.904 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 -45.908 -13.483 10.340 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 4.040 -2.548 1.289 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 -7.586 -0.517 5.491 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 -5.763 -2.708 1.217 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 -12.758 17.205 -36.544 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 2.597 -5.485 -2.011 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 -3.796 4.037 4.987 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 -2.253 0.503 10.337 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 0.254 2.085 1.983 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 -0.168 -6.186 -1.854 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 -0.681 -8.867 -2.847 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 -4.221 11.175 5.686 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 0.874 -17.152 -1.599 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 -0.476 7.191 -3.984 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 -0.583 0.873 -5.813 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 -4.000 3.148 -5.284 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 21.835 12.422 3.177 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 -0.978 1.884 1.568 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 -9.922 -6.885 4.353 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 -12.342 -9.624 2.544 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 0.551 0.050 4.426 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 1.478 -0.869 3.357 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 -1.254 5.481 8.721 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 4.279 -3.884 1.936 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 2.579 -7.452 8.575 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 8.417 2.776 -15.024 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 0.855 2.311 -1.551 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 -1.840 2.223 -3.950 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 5.442 -6.997 17.264 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 -4.632 -2.597 -1.241 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 -14.067 -4.907 13.696 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 13.069 -6.057 -11.634 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 1.128 -0.790 -4.005 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 1.961 5.965 -3.855 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 15.698 -25.422 1.963 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 -0.079 3.166 -2.615 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 -22.247 9.444 -5.160 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 4.108 15.589 18.214 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 -4.481 -2.396 -0.603 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 10.808 5.443 14.114 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 -5.869 -3.961 -2.392 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 -2.241 -4.514 -3.483 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 0.192 -4.935 -0.624 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 -8.049 -8.935 -9.016 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 5.877 -9.198 2.753 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 -21.804 -9.185 0.383 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 10.046 4.636 27.529 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 1.815 3.642 -1.178 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 13.250 10.081 10.424 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 2.937 -3.187 -10.612 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 4.474 -0.806 -6.093 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 16.495 -3.454 -4.573 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 -24.300 -1.422 -5.741 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 5.366 5.373 3.860 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 5.325 5.480 4.626 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 -0.042 9.900 11.120 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 8.627 -3.738 10.553 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 4.627 23.964 26.885 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 -7.446 -12.688 -4.309 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 -3.267 5.423 -5.162 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 5.032 5.277 -7.069 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 -13.212 13.400 -1.481 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 -3.032 -3.358 0.243 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 -6.913 -14.881 -3.680 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 -0.900 -8.807 -1.961 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 2.714 1.640 -2.330 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 5.265 -1.756 -2.330 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 -6.474 9.943 -0.888 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 -1.478 -0.179 4.357 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 -4.417 -14.615 10.096 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 18.061 2.617 6.415 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 0.692 -4.894 1.606 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 9.029 16.675 -24.911 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 -18.701 -0.699 4.066 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 -3.226 1.591 -1.397 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 -1.922 2.176 -1.450 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 2.296 6.947 -3.365 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 7.019 -3.418 1.508 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 -11.813 -12.600 15.358 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 8.953 6.267 -7.186 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 1.000 -2.158 4.616 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 -10.931 -15.198 -4.347 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 10.914 -3.226 5.887 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 3.288 5.366 1.409 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 15.544 -0.454 -8.494 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 3.547 -0.725 16.284 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 2.404 3.513 -4.319 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 -11.436 -21.728 11.958 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 5.169 12.730 -13.146 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 2.682 2.020 6.735 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 -3.858 -2.825 3.131 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 -5.721 9.480 6.490 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 -4.141 6.218 -5.078 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 -11.485 10.619 1.649 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 -18.550 16.025 0.867 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 -5.181 4.037 -0.671 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 3.252 0.344 7.921 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 0.577 10.869 6.017 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 1.562 -1.743 -0.699 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 0.909 -5.981 -0.071 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 5.340 10.810 0.771 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 -1.847 -0.186 -5.416 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 -25.563 -2.393 -1.863 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 5.815 7.749 5.011 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 -2.027 -2.840 -4.549 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 -21.477 -2.358 -16.948 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 -12.953 17.933 -0.158 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 3.421 0.765 -0.854 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 7.067 10.389 -7.552 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 -10.376 -2.389 -3.792 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 0.278 -6.784 -0.968 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 7.978 -4.090 6.055 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 -4.203 -5.138 -5.511 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 0.734 -2.817 -4.782 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 -13.041 -6.328 3.813 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 15.668 21.237 5.621 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 3.783 -1.984 2.099 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 -11.295 -3.946 15.484 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 16.987 -6.758 16.442 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 -9.492 -3.103 0.440 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 4.450 14.631 2.100 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 -1.627 -4.840 13.541 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 -1.834 -2.477 2.631 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 -9.589 2.506 -5.740 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 11.241 2.821 0.101 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 3.907 -2.589 -2.874 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 20.717 5.085 -9.234 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 0.858 -8.594 -1.672 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 9.357 7.643 -3.329 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 19.470 6.133 -1.175 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 1.050 7.689 -5.522 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 0.160 0.427 8.294 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 8.091 5.251 16.899 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 3.557 11.592 21.479 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 -2.159 -0.953 3.153 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 5.638 -11.291 2.723 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 7.593 -7.596 -0.021 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 -0.424 1.690 5.704 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 10.250 17.998 21.616 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 20.505 -17.965 -0.470 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 5.176 -0.033 -0.144 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 29.947 -12.809 -0.473 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 -13.211 -7.292 11.621 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 -4.092 3.555 0.499 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 7.671 3.475 15.817 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 -3.196 12.332 -6.131 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 2.582 -4.517 7.392 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 8.518 -2.460 6.018 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 8.473 -1.795 4.714 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 4.574 3.955 -7.491 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 7.096 8.094 15.805 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 13.096 27.114 -32.836 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 1.282 12.507 -1.372 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 -2.901 5.273 -4.258 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 1.701 -0.402 -11.566 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 -5.665 -3.572 -1.963 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 -0.919 -5.433 4.593 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 7.196 -13.601 7.215 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 2.901 3.038 -1.034 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 -3.884 3.720 1.860 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 5.769 1.096 37.944 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 3.164 0.402 -7.865 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 9.714 -3.045 -33.564 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 17.018 -17.157 5.967 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 -3.427 2.480 2.073 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 14.110 7.847 -13.803 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 12.257 12.333 7.868 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 -4.886 5.113 -4.968 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 -6.103 4.460 -9.331 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 -13.006 -12.483 -11.980 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 1.983 6.311 4.631 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 -6.119 1.164 3.280 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 -12.563 -3.055 2.215 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 5.881 -1.845 -0.364 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 -10.336 -13.916 21.466 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 6.126 -2.355 -6.160 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 -3.269 0.355 -0.601 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 -2.396 2.460 -7.860 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 -7.433 12.761 -4.923 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 -5.613 -4.296 2.379 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 -21.606 -2.321 13.886 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 -5.564 3.428 -6.127 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 2.168 -2.130 5.512 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 -0.774 -2.102 22.746 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 5.156 18.857 6.593 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 -2.402 0.300 7.400 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 -10.477 0.341 13.791 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 -0.142 -3.781 -0.420 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 3.517 0.234 -3.806 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 15.200 15.179 -10.758 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 3.949 3.685 0.347 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 -0.489 -1.454 3.029 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 17.980 34.504 12.636 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 6.558 -12.558 15.083 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 -3.101 -0.593 2.518 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 12.828 -8.096 -16.715 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 7.710 0.445 -1.499 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 0.068 -5.091 -2.896 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 1.938 -7.878 -2.832 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 -3.119 -17.475 -7.468 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 8.661 -3.703 2.379 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 11.802 13.430 14.585 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 11.147 -8.176 9.956 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 -1.035 2.966 4.954 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 5.967 -6.852 11.485 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 -4.547 -0.003 1.072 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 1.451 -5.117 -4.901 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 -3.578 4.567 -4.635 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 3.550 8.011 -5.846 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 0.467 -3.447 0.664 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 -6.744 -7.600 -7.426 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 19.882 1.905 -5.430 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 3.415 -6.151 2.922 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 7.744 4.124 1.912 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 -19.831 -1.620 2.092 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 -3.446 4.137 5.081 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 -3.669 10.185 6.316 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 0.806 14.037 4.109 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 -2.672 -7.080 -3.887 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 -3.402 0.722 -6.397 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 -4.755 11.693 -8.458 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 -4.160 2.228 -3.927 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 1.232 -16.764 -8.667 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 -9.462 -0.772 -4.093 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 -5.556 -0.113 -2.470 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 -4.376 -15.985 -5.163 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 -4.513 -6.644 -2.284 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 -1.868 -2.642 -5.938 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 4.101 21.906 9.484 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 2.669 -6.263 -10.580 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 -1.224 -6.585 0.761 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 8.591 -27.576 2.098 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 -6.615 1.732 -22.348 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 1.461 2.373 1.278 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 1.997 -9.672 6.249 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 2.082 18.701 -4.323 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 4.043 5.657 4.491 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 10.449 -5.930 11.059 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 -8.235 5.489 12.637 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 6.147 -5.391 2.743 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 -1.981 -5.732 -4.948 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 13.170 26.852 -1.244 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 4.275 4.649 -6.490 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 -21.563 11.446 27.338 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 38.705 1.787 2.808 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 -4.594 2.741 -1.050 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 1.629 7.407 12.561 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 -0.494 0.031 15.371 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 7.004 -2.990 -2.292 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 -8.110 2.114 0.826 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 7.999 0.185 2.182 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 -6.131 -1.303 -0.420 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 10.857 7.561 3.233 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 1.426 6.734 -11.562 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 4.350 2.721 -3.100 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 8.102 -17.556 5.456 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 5.382 10.995 14.964 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 5.137 -1.022 -5.378 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 8.808 16.387 -0.169 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 1.404 -1.707 -8.873 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 -1.705 -6.024 -0.637 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 -6.026 0.617 -16.590 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 13.485 18.089 5.333 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 -4.549 -1.673 2.029 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 0.652 9.906 4.693 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 -17.200 1.497 8.464 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 -5.489 -5.252 6.377 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 6.161 13.213 -1.485 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 0.539 9.584 -8.068 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 1.028 2.200 -6.203 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 0.776 17.422 -4.873 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 9.159 6.953 -1.152 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 2.028 2.032 6.849 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 6.944 2.207 23.665 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 -10.525 16.017 0.322 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 -2.753 -2.724 -0.595 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 -6.484 7.231 -18.615 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 -22.321 -9.361 1.728 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 2.015 -0.116 -0.824 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 12.892 1.627 -13.841 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 -6.789 -2.548 8.896 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 -5.469 8.996 2.397 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 -4.784 11.035 0.384 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 -10.050 -0.461 11.113 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 -2.327 8.381 -7.306 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 1.372 23.421 11.679 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 -1.639 5.559 -10.187 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 -0.716 -1.383 -1.537 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 11.515 1.750 -8.785 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 -1.016 -18.468 -6.700 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 2.161 1.847 0.753 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 -1.822 23.343 -3.018 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 22.409 -2.757 2.485 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 -4.416 -1.925 -2.574 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 15.636 1.004 9.582 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 -7.207 -9.104 -9.555 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 -2.785 -0.175 -3.060 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 21.404 -14.827 -3.078 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 1.234 -1.958 -1.707 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 -3.103 -1.582 4.499 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 -7.980 12.869 7.483 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 -2.265 -7.016 11.802 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 -8.711 5.178 7.468 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 27.732 -19.063 -1.878 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 6.465 3.835 8.387 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 3.113 1.249 2.153 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 -0.730 19.231 -10.921 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 17.292 17.313 12.530 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 2.890 -1.476 0.997 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 18.945 -12.641 -23.052 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 -11.092 8.564 11.061 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 -2.288 -8.675 -6.545 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 4.746 -10.609 -2.093 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 6.498 -12.817 -21.445 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 12.743 -3.155 -9.095 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 17.758 -20.718 4.715 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 -8.268 4.314 -4.291 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 -0.062 -1.150 5.775 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 6.080 -34.329 12.299 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 -2.366 5.913 13.490 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 -0.701 0.351 -4.969 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 -8.840 -8.965 2.584 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 -1.816 29.003 2.900 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 -1.099 -0.372 -9.301 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 10.399 -0.653 4.875 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 6.941 -19.840 -8.931 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 0.719 1.629 0.397 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 8.725 3.576 4.842 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 31.656 -4.002 -10.549 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 6.973 0.455 3.290 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 5.656 -2.830 3.647 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 5.730 -0.293 12.655 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 1.218 -1.349 1.659 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 -11.339 7.456 -11.580 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 15.615 -6.262 9.435 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 -2.050 0.436 -0.757 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 -3.935 -12.451 -1.493 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 2.866 -16.701 -13.828 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 -0.938 1.866 -0.848 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 20.991 16.450 16.823 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 7.729 -6.845 0.699 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 14.374 -1.749 -4.352 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 -13.809 -17.863 -4.607 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 -33.046 -26.616 -1.356 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 2.076 -1.312 -2.787 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 3.062 -1.435 -1.187 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 3.660 -1.589 -0.700 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 -4.535 -0.096 -1.313 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 12.103 -7.957 9.021 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 7.896 17.779 -6.320 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 -0.297 -8.893 -0.063 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 -6.337 -2.258 -15.195 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 23.283 -4.900 26.416 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 1.926 -6.430 -2.472 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 13.601 -1.307 -15.023 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 -13.104 -9.906 -3.427 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 1.999 -4.863 -4.839 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 -6.891 -6.895 1.668 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 0.799 -3.939 2.824 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 -2.842 2.377 0.546 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 -1.152 -25.209 7.114 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 4.815 0.896 0.684 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 2.510 7.434 -0.922 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 3.200 1.434 16.935 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 -0.149 -8.691 -7.615 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 -1.848 -2.903 -9.516 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 11.156 -17.584 -8.006 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 -2.964 -2.358 -9.711 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 -2.575 7.377 -2.497 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 13.088 27.244 13.675 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 -10.258 -1.466 -13.678 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 0.588 -0.470 4.102 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 10.968 4.408 -27.031 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 29.620 -8.760 11.852 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 4.043 -4.546 1.108 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 -9.273 15.720 -32.367 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 13.776 -15.036 15.102 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 0.909 0.598 0.085 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 11.828 -7.165 -14.676 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 -11.629 -10.252 -4.949 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 3.572 -7.648 4.593 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 0.719 -2.555 6.224 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 9.812 -4.703 -2.688 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 -4.467 3.830 2.660 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 -7.082 2.708 6.671 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 -4.922 -1.037 -4.892 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 -3.008 0.839 -3.325 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 -3.192 3.107 -4.743 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 -3.331 4.628 -9.673 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 2.504 -0.963 -3.982 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 15.960 5.672 1.766 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 7.607 -2.873 -11.608 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 -0.854 1.561 -1.203 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 6.297 14.685 4.677 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 1.218 -0.039 3.348 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 -2.199 -1.049 6.116 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 3.985 -0.180 -10.652 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 -3.660 -6.553 14.854 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 -2.323 -7.604 1.836 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 17.219 -14.420 -21.807 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 -8.214 -5.967 9.251 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 -1.381 -4.382 3.288 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 22.789 -6.878 29.105 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 -14.933 -3.259 -14.588 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 -0.701 2.479 1.390 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 -17.745 0.769 -13.359 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 1.598 -0.516 9.033 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 1.585 -3.801 -4.002 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 1.764 16.464 8.298 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 5.538 6.532 -6.892 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 -1.789 2.773 -0.991 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 6.656 -5.330 9.538 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 3.687 8.213 -2.049 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 1.993 6.263 2.118 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 -12.133 0.721 -8.942 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 6.671 5.660 6.547 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 2.913 -1.060 -0.578 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 -2.091 2.295 23.604 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 28.385 -8.154 -38.513 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 0.681 4.186 -4.573 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 2.169 8.174 6.201 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 3.120 3.312 1.885 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 -5.378 -7.932 0.021 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 -3.356 -8.651 -2.995 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 -0.503 -10.934 -2.358 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 1.638 -6.616 4.777 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 -0.188 3.140 10.141 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 -12.995 -11.119 1.643 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 5.002 -1.875 -3.250 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 -3.402 24.348 -8.448 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 -7.694 -19.868 -5.003 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 0.310 -1.701 3.396 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 13.546 21.040 6.877 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 -11.918 -8.515 -12.108 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 -9.276 4.385 -4.340 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 -12.743 2.023 -18.208 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 -9.769 -17.201 -8.955 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 0.898 1.520 4.809 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 22.575 -7.984 -34.858 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 -6.690 -4.685 -2.737 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 -5.394 -2.164 -0.446 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 -15.643 -0.985 -4.866 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 -9.273 2.648 -16.099 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 -7.174 -9.075 1.414 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 9.658 1.111 -36.077 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 -12.862 -5.168 24.414 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 -2.025 -2.241 -3.567 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 4.790 -14.762 -9.814 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 -3.427 -8.999 -0.566 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 1.188 -4.084 -1.963 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 5.793 -14.860 2.364 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 1.826 -2.332 -0.288 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 -5.436 3.982 6.781 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 -1.235 11.151 12.937 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 5.608 21.772 20.204 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 -4.000 -5.966 -4.231 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 -4.140 16.575 -5.381 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 -3.373 -9.643 -4.128 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 -0.136 0.055 0.991 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 -1.779 7.441 -2.735 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 6.257 -5.414 -4.335 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 -3.424 2.035 -2.209 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 -2.051 -13.666 1.970 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 -8.824 -2.500 -15.901 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 5.037 1.785 -2.842 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 -28.459 24.058 18.464 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 -13.604 -4.761 7.478 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 0.667 -2.939 -1.433 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 -19.020 -19.166 -5.383 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 -3.998 11.825 12.733 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 -1.179 7.852 1.398 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 26.735 11.828 -0.079 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 -7.194 6.153 3.289 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 -9.403 -1.531 2.032 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 -13.956 -1.737 -24.092 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 -4.927 -0.351 27.063 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 4.855 0.249 3.011 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 0.250 5.227 17.303 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 16.422 -6.176 -13.886 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 4.256 0.286 1.471 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 22.143 7.933 -9.193 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 0.533 8.925 -27.660 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 -1.499 -0.822 0.280 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 -6.474 16.296 -18.849 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 -13.931 4.529 -15.946 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 -0.763 0.807 1.492 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 -2.120 1.634 5.013 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 -3.160 4.691 8.851 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 -2.530 0.784 -8.207 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 20.316 8.565 -2.108 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 -13.181 0.370 4.158 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 -0.294 1.119 -2.451 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 9.108 3.005 9.922 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 -6.257 0.953 -10.343 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 0.477 4.212 6.153 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 -9.538 -12.632 20.894 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 5.963 -5.819 -14.126 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 4.695 4.871 5.146 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 -18.043 16.098 -7.065 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 2.790 18.147 6.150 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 -0.249 -10.826 -3.673 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 8.091 -5.664 -1.435 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 9.224 -5.304 -5.619 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 7.825 0.505 2.284 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 -7.910 -1.144 4.175 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 7.806 5.608 3.793 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 0.468 -1.068 2.068 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 -23.589 -8.239 -12.803 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 5.424 3.726 5.111 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 -4.133 2.583 -1.252 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 8.684 9.040 -19.251 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 16.796 -5.634 -3.089 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 -1.551 7.107 -0.805 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 3.267 4.477 1.529 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 26.420 -10.314 3.566 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 0.347 2.269 6.052 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 -18.373 3.743 15.605 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 -22.034 -12.244 -10.895 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 0.902 -9.593 6.981 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 -4.648 -8.841 15.018 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 -6.685 -10.622 9.229 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 -1.435 0.115 0.725 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 -20.087 8.703 -8.319 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 -6.166 -21.685 6.805 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 -3.900 -0.636 -3.739 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 16.124 4.120 4.409 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 5.115 -26.492 -12.428 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 -3.565 -1.344 5.077 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 10.946 17.286 -12.062 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 -20.735 -19.305 -14.539 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 3.079 -5.002 3.874 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 9.880 -15.979 -11.193 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 -3.952 0.738 -7.623 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 -7.817 -9.882 -8.589 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 -24.423 -7.865 -20.119 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 0.682 8.717 18.748 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 -1.892 1.423 -2.920 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 -1.536 17.853 10.629 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 0.212 -12.646 -6.201 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 6.667 -2.223 1.342 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 22.840 20.393 10.703 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 5.689 15.993 -12.827 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 -0.319 0.890 0.789 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 0.021 1.182 -3.830 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 3.192 3.162 -7.345 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 1.722 -1.468 1.828 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 0.117 -1.526 13.315 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 10.370 -0.789 2.162 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 -4.955 -0.100 0.919 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 -0.813 -0.172 -4.547 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 -0.637 4.562 11.645 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 5.130 -4.603 -3.960 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 -6.358 0.986 2.047 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 11.043 -7.958 8.400 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 -3.774 2.908 1.998 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 -27.767 -2.241 8.990 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 31.751 16.302 3.386 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 2.060 4.032 0.928 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 7.076 -9.787 -19.895 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 15.682 5.785 -6.840 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 2.121 4.278 -5.584 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 -1.169 22.014 -2.493 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 18.015 1.871 -3.079 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 -5.451 2.929 4.643 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 -0.395 0.215 7.814 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 -4.345 14.701 -1.964 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 -3.366 4.533 -2.558 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 -17.389 -0.634 -5.340 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 -9.641 6.465 9.085 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 0.007 0.108 1.806 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 -2.587 7.673 -6.132 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 -1.266 -2.727 2.784 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 -0.399 -1.826 1.253 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 3.419 17.544 -1.997 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 9.452 -17.991 33.167 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 -3.090 -0.415 0.849 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 -2.913 3.637 4.732 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 -6.988 10.757 6.446 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 -2.019 0.337 -5.121 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 24.876 3.707 7.855 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 -16.404 -2.162 -11.511 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 -2.390 2.132 6.498 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 -10.840 1.523 2.922 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 -1.785 6.258 6.742 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 1.331 -5.116 -0.086 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 7.829 -10.104 -1.577 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 17.573 5.660 24.638 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 3.615 0.122 0.024 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 6.808 -9.847 6.720 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 4.603 13.002 -10.071 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 1.858 3.003 -7.146 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 1.228 5.753 -9.657 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 17.451 -0.714 3.230 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 4.115 8.143 1.393 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 -20.736 9.079 2.176 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 -11.095 14.833 3.677 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 2.128 -0.047 0.657 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 25.847 -20.163 12.836 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 -2.003 -1.966 -9.420 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 2.448 -1.489 -2.997 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 -2.443 -18.893 4.903 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 3.314 -1.749 -3.177 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 4.261 0.525 -6.859 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 -24.462 16.140 4.148 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 12.795 -4.305 -9.766 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 2.979 -6.793 -3.921 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 -11.757 -12.846 -13.160 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 11.210 -1.321 2.968 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 2.919 5.307 1.622 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 -13.581 -7.608 14.647 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 -0.251 -14.674 18.976 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 -1.106 2.837 1.695 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 3.974 3.361 4.627 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 4.930 -0.274 3.664 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 -1.136 2.189 -1.247 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 -6.756 -6.565 1.505 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 -20.252 6.258 -25.827 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 -4.789 7.117 3.471 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 -13.696 12.756 20.524 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 -3.510 -10.754 2.712 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 -1.421 2.703 -7.576 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 5.960 6.428 -18.173 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 15.737 -5.192 -7.103 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 0.479 -1.642 3.073 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 7.197 -0.805 -16.725 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 -8.766 -3.494 -9.584 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 1.529 -0.384 -1.378 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 6.280 -27.014 9.359 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 -7.245 -2.585 -10.073 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 -0.576 -1.873 2.018 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 -11.524 -5.773 -6.150 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 6.633 -25.399 -4.348 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 6.179 2.243 -1.298 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 -1.392 13.437 -10.613 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 0.552 -26.655 -2.999 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 3.133 -1.063 -0.504 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 12.110 1.593 19.794 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 9.350 -3.457 9.280 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 5.461 -3.439 3.948 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 8.094 -15.565 1.953 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 8.133 2.377 -7.895 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 -2.793 -3.136 0.456 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 -1.538 1.015 20.435 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 -8.031 -21.633 14.134 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 -4.312 -8.929 -8.677 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 -3.779 -12.628 0.440 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 -28.797 3.135 -25.306 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 3.656 0.885 -1.454 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 -6.523 -12.403 13.768 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 8.457 -13.676 -16.520 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 -5.290 -5.494 -1.652 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 -8.575 -7.073 21.805 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 16.790 -25.137 10.245 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 0.506 1.189 -1.287 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 6.242 11.260 6.134 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 5.934 -12.977 -6.099 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 -1.377 2.676 3.482 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 3.673 3.149 3.332 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 -0.874 1.787 3.500 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 -1.148 -4.023 0.300 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 0.298 -9.292 23.883 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 -0.954 -7.118 -18.760 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 -1.682 1.808 1.449 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 -5.426 6.240 2.115 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 -14.558 1.512 -2.320 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 -8.136 3.645 -0.795 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 -3.526 -3.378 0.355 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 -5.243 8.363 -10.369 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 -1.954 4.431 -1.691 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -16.068 -3.215 -10.944 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 2.688 5.257 -6.915 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 1.643 -1.145 -0.712 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 -1.722 1.376 5.960 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 1.763 6.949 -10.764 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 -0.749 -1.627 -1.472 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 -9.306 -2.067 6.711 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 1.852 0.345 -1.038 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 5.285 -4.530 -0.402 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 -1.107 18.692 -14.340 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 -8.685 -10.766 14.537 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 -4.532 -4.064 -2.912 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 17.693 4.950 1.403 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 2.917 3.256 11.739 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 6.082 -7.667 -1.707 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 -12.720 -16.564 10.192 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 9.368 -6.107 -7.014 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 -0.050 -3.094 2.033 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 -0.300 23.338 28.649 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 -16.284 5.493 11.079 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 3.443 7.134 -1.917 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 4.091 2.991 -5.307 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 -0.584 8.730 0.267 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 1.503 1.463 1.431 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 2.815 -9.739 13.039 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 1.318 1.712 4.795 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 3.129 0.872 -7.527 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 10.777 22.329 -1.522 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 3.201 -29.989 -8.919 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 4.157 -2.189 1.404 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 12.876 -8.692 7.263 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 -5.813 -9.268 -0.275 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 -1.472 -7.537 2.688 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 -2.068 -6.950 2.732 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 1.674 -9.749 -4.124 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 7.651 -5.115 -4.346 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 12.560 -10.554 -11.658 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 9.635 2.311 9.414 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 1.412 5.314 8.457 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 -0.550 2.360 -9.230 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 26.303 15.587 22.173 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 4.548 3.117 3.701 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 7.148 -11.338 0.818 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 -4.889 10.939 6.816 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 4.130 -4.341 2.596 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 -14.943 3.799 -7.898 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 21.108 15.578 3.479 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 1.403 2.339 2.721 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 -17.317 -3.736 5.156 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 3.026 -3.694 13.608 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 -11.863 -5.060 0.003 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 -8.607 -10.828 16.783 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 -12.117 -9.427 -13.958 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 -1.252 -1.820 -2.575 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 9.967 19.723 -9.192 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 7.028 -6.324 -3.900 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 -2.422 -0.206 1.875 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 4.736 26.299 12.396 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 -4.647 -10.348 -4.434 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 2.253 2.030 -4.418 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 2.827 2.768 -3.361 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 8.591 5.747 -9.847 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 1.714 1.326 2.582 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 6.286 2.571 6.547 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 -6.377 -18.918 -21.465 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 1.496 -4.234 4.060 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 -3.901 -13.395 9.481 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 -26.928 -3.532 8.038 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 4.053 3.833 8.973 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 -8.483 -1.419 9.255 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 -14.123 -12.323 2.412 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 1.383 -3.210 4.106 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 -1.819 -18.800 22.072 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 -5.258 1.712 0.906 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 -6.822 0.221 3.505 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 -12.320 14.433 20.332 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 -4.001 8.159 -7.891 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 -2.457 -4.533 -0.687 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 -15.780 7.364 6.301 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 -26.073 -4.355 11.219 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 0.701 -0.149 -2.512 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 1.317 -5.793 18.234 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 -6.376 23.957 11.570 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 -0.875 3.668 6.956 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 13.593 -22.234 9.677 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 3.775 6.829 -8.207 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 1.347 0.836 -3.120 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 14.286 -0.705 10.465 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 -7.470 5.196 -11.629 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 3.145 1.620 2.113 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 -1.443 -13.504 4.860 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 7.225 13.163 14.033 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 -5.568 0.556 -0.156 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 11.441 -4.744 1.343 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 -0.612 -1.333 -0.488 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 4.454 2.646 5.415 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 4.202 -0.611 -16.113 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 -27.409 0.834 -1.898 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 -4.876 -1.879 -1.411 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 -27.943 12.753 -10.916 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 19.088 6.808 -15.753 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 0.758 3.958 -1.943 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 1.173 5.874 -1.721 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 -0.698 -5.746 -1.629 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 -2.375 -2.196 1.461 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 -5.001 -5.108 8.973 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 -19.325 -10.689 8.270 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 -9.180 -6.322 3.664 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 12.299 -19.333 -14.519 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 10.592 -8.734 -12.264 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 -3.597 0.648 -5.024 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 -17.990 4.620 -9.671 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 -6.705 4.406 6.443 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 3.362 -0.302 2.395 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 -2.638 -9.511 12.866 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 -6.003 -21.021 -15.017 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 3.787 -3.127 4.162 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 2.944 -2.852 5.950 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 1.667 -3.409 3.223 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 -3.874 -0.900 -5.588 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 3.463 12.893 -6.292 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 -8.971 -9.806 -7.641 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 0.758 -2.125 -1.600 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 10.052 9.056 4.523 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 1.006 -14.885 7.609 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 3.479 2.516 0.384 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 5.950 23.182 -11.267 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 -10.749 -16.638 -17.917 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 3.216 -2.305 -0.822 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 3.325 -19.548 -7.706 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 10.738 -4.589 -6.629 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 1.434 -6.812 0.750 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 -4.945 13.708 8.671 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 1.527 -2.632 -18.596 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 -3.008 -4.423 0.569 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 -3.529 -6.353 0.179 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 -7.209 -8.744 -17.683 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 2.609 -7.424 3.248 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 4.893 10.586 7.421 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 -27.311 12.333 -10.812 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 -1.591 1.763 3.477 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 -3.042 1.317 -0.883 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 -16.440 7.499 1.082 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 -0.355 1.215 -2.592 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 -8.086 -15.638 1.605 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 4.321 -4.200 4.474 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 6.612 3.259 -4.218 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 0.918 2.687 -2.845 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 7.769 6.440 -1.410 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 3.357 0.034 0.037 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 -15.623 -5.828 -3.055 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 17.963 2.729 -0.303 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 4.857 -8.003 2.415 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 -3.040 2.844 13.677 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 0.090 6.430 -0.344 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 4.014 2.575 1.457 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 4.643 4.432 -0.012 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 4.207 3.419 0.376 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 -0.183 3.626 -4.368 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 -3.211 3.486 12.584 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 10.635 -10.258 -7.120 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 -6.534 -4.530 -4.780 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 -17.945 -0.325 -20.163 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 -3.585 -5.487 -1.148 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 -0.559 -1.919 3.226 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 9.443 5.705 -7.978 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 0.380 9.604 5.698 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 -2.398 3.646 1.210 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 9.327 1.813 -8.546 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 0.504 0.325 8.244 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 -4.979 3.750 4.511 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 -4.836 0.529 6.979 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 -3.565 7.079 8.146 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 0.153 -11.596 -9.214 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 9.200 -7.007 -14.206 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 -4.637 -3.877 -18.202 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 -7.365 -2.293 0.503 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 -12.537 26.409 -4.451 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 -28.835 10.626 14.393 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 0.242 0.810 1.088 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 7.263 -2.579 -5.430 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 -6.065 11.274 1.116 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 1.795 2.706 -6.584 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 5.469 -6.124 -18.301 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 -4.746 5.071 13.746 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 2.347 4.728 -2.831 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 10.615 13.860 8.701 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 11.513 7.062 -6.823 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 3.870 1.939 4.623 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 3.243 -9.204 19.355 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 27.642 4.128 -7.534 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 -4.317 7.766 -0.403 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 3.758 11.986 -16.730 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 -14.901 27.270 9.576 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 -0.532 -3.245 2.507 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 -3.342 27.380 6.612 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 -2.647 -6.712 0.357 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 1.638 0.519 6.350 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 -5.356 14.842 -0.196 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 -7.463 -2.060 25.134 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 -0.177 4.841 -0.099 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 -5.742 8.071 2.152 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 7.406 1.519 -3.353 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 -0.832 -4.933 -0.287 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 -7.534 -4.739 -7.253 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 6.304 -7.178 3.698 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 1.295 2.411 -1.525 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 5.192 -20.797 0.096 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 2.153 -32.865 -3.330 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 0.412 -1.205 -1.526 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 -2.365 -5.615 -0.574 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 -3.370 -26.597 1.151 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 6.112 4.892 -3.235 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 25.584 3.161 -13.968 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 -4.145 12.367 -0.137 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 0.923 -9.966 -3.251 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 3.901 7.015 -5.616 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 -0.133 -10.849 13.724 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 2.959 -1.889 -0.027 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 3.657 8.597 3.467 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 2.137 -11.854 -5.676 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 4.291 8.639 1.101 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 1.044 -13.075 -5.867 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 18.217 15.272 -10.885 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 0.096 4.190 -2.356 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 -3.697 -14.648 -2.057 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 5.637 24.619 0.072 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 2.079 1.146 -0.469 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 -10.277 -3.521 -4.405 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 9.097 1.392 6.940 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 -1.114 0.283 -5.562 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 -3.105 5.198 5.563 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 -21.709 -10.163 -19.905 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 -1.333 2.415 0.750 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 -19.403 13.195 11.407 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 -2.737 0.472 -1.335 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 4.135 1.706 0.618 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 -1.093 12.482 8.070 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 3.431 -1.162 0.997 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 1.270 0.593 -2.122 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 -13.774 -1.634 15.126 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 3.410 15.030 -7.657 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 4.950 -2.257 2.785 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 1.084 -1.354 4.339 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 3.810 -12.319 4.914 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 3.873 -5.070 -2.864 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 -3.926 -8.404 -0.081 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 29.440 -1.296 -6.814 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 -1.899 5.148 -1.949 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 -0.766 -5.095 4.036 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 -4.016 7.813 -4.072 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 1.152 5.057 -5.502 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 14.271 6.426 -5.625 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 5.859 -28.008 -11.520 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 4.348 -1.274 0.881 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 -15.578 -16.972 -12.431 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 -9.651 -5.424 9.664 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 1.050 6.239 4.505 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 6.520 1.260 7.247 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 4.644 5.264 6.978 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 0.287 -0.522 -2.086 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 -5.981 -10.219 -11.726 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 -3.586 8.101 -7.729 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 -4.831 -0.139 -3.752 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 -18.103 11.592 17.318 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 -20.329 2.242 -12.339 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 -0.403 -0.871 -3.895 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 -0.983 18.069 6.435 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 13.340 -22.162 -16.030 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 -2.421 4.754 -0.546 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 -1.209 5.438 -13.087 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 14.807 4.106 -2.280 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 1.098 -0.531 2.892 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 29.668 -9.231 -6.299 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 -1.639 -6.606 -2.182 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 -6.041 0.083 -2.934 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 -15.566 -0.082 1.865 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 -5.329 12.806 2.331 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 -6.982 3.638 -4.128 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 -0.586 5.070 -13.375 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 -7.042 2.655 -4.161 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 -0.500 0.104 8.216 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 -2.108 5.465 -17.274 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 -8.580 8.148 5.526 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 -6.043 2.497 -1.015 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 -5.524 3.458 -0.577 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 -13.379 -14.534 4.102 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 2.174 -8.273 -8.129 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 -4.646 2.436 -10.697 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 10.469 -13.712 -11.075 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 3.003 -5.326 -2.536 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 1.428 -9.154 -16.779 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 1.662 -3.566 5.118 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 3.122 -0.846 -2.780 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 0.314 -12.314 -5.721 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 0.746 0.541 9.414 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 2.725 -1.465 2.996 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 -0.544 -0.738 7.640 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 3.410 -5.472 -3.879 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 0.616 5.403 7.577 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 14.323 8.513 26.139 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 16.001 -4.312 5.872 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 -8.317 -0.596 3.386 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -6.997 -7.739 -0.879 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 -23.809 -14.451 2.671 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 2.048 -1.441 -0.538 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 -3.575 -0.260 7.894 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 -11.152 7.498 7.513 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 -4.372 -3.117 -5.323 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 1.524 -10.412 -1.214 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 4.465 -29.989 -13.451 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 1.912 -1.962 1.110 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 5.982 -4.847 19.218 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 -9.257 -14.864 -2.421 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 2.340 2.289 -5.581 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 -1.310 5.679 -13.636 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 -14.801 -10.574 18.117 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 -6.801 -0.557 -0.382 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 0.857 3.353 -5.606 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 -14.097 1.661 -3.979 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 -4.495 5.461 -5.053 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 -22.279 0.029 -7.117 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 -0.822 6.420 -3.880 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 -4.262 0.854 -1.547 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 12.736 -9.909 -8.853 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 -10.774 -9.024 14.706 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 2.964 -5.727 10.605 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 4.630 -7.099 11.661 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 6.197 -6.057 8.356 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 -0.126 -5.458 5.560 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 16.218 -7.266 12.577 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 -28.561 6.151 -10.750 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 7.450 7.369 -2.126 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 -14.495 -9.965 -4.295 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 10.348 -2.177 -1.636 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 -0.866 -1.787 -2.280 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 -4.572 7.116 -1.954 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 3.045 -2.528 -7.197 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 -2.191 4.428 8.143 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 4.482 13.736 0.844 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 7.888 38.737 -1.358 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 2.392 4.670 3.733 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 -4.620 -9.238 5.538 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 10.518 2.405 -9.544 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 -3.651 -6.500 -2.533 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 0.638 -7.647 4.582 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 -7.185 2.155 4.047 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 5.352 4.109 3.241 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 -1.281 2.289 -14.750 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 -6.387 2.574 -11.018 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 -1.260 1.039 -0.090 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 -14.229 -30.488 8.772 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 -1.893 6.432 5.059 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 0.168 3.921 -2.359 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 18.146 -7.542 -3.541 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 -9.798 0.884 -3.760 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 -0.099 -2.319 -0.078 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 -1.507 -7.865 -2.957 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 16.478 11.484 -13.070 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 0.367 7.499 -1.221 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 -10.063 -21.116 -2.884 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 3.647 18.348 -1.785 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 4.878 3.328 0.427 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 12.553 6.060 9.030 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 3.790 5.162 -2.619 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 5.179 -2.227 -6.673 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 39.780 3.454 26.362 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 14.083 -3.654 -1.886 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 2.469 1.912 -4.844 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 -3.888 3.964 8.604 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 24.153 -2.539 -14.301 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 5.029 -1.544 -0.955 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 1.265 9.093 -11.804 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 -1.470 4.122 1.413 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 1.709 1.856 -3.061 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 16.272 -7.693 -1.027 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 4.084 2.964 -0.561 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 3.971 -7.183 -3.629 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 -11.699 1.663 -2.825 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 -1.954 -24.586 -3.075 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 1.137 -0.533 -0.878 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 -7.179 -0.627 -12.855 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 -18.579 -9.196 -18.851 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 -5.831 0.660 6.472 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 18.072 0.773 17.266 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 25.756 13.843 -4.107 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 3.623 2.853 3.167 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 -10.794 -2.553 0.704 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 9.902 -3.895 -5.028 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 -0.773 -1.614 2.636 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 0.063 -4.580 -6.437 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 -13.207 -1.181 13.687 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 1.385 5.405 6.760 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 6.573 17.641 -5.610 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 7.318 18.045 -4.400 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 -0.448 0.218 -0.969 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 0.520 1.096 1.519 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 -1.725 -0.905 0.747 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 0.420 5.532 1.366 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 -8.083 -7.315 -9.840 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 -5.992 -10.240 -24.512 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 0.563 0.218 0.066 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 -1.110 -2.955 9.448 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 -3.663 -0.667 -3.046 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 -2.372 6.394 -3.958 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 -19.113 6.933 -10.858 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 2.504 12.708 -2.301 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 2.923 1.917 -4.680 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 -3.951 -1.716 18.887 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 8.578 22.867 -2.633 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 3.745 7.855 0.725 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 11.483 31.412 5.630 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 13.163 11.410 -1.630 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 -2.948 -4.067 0.381 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 20.034 7.960 1.414 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 2.667 -28.102 1.384 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 -1.007 1.630 -3.974 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 -11.183 -1.295 -1.749 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 9.742 7.157 2.110 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 0.537 -4.112 5.836 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 -1.478 2.813 -10.098 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 9.875 7.933 8.272 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 -3.238 -4.537 -3.760 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 -8.684 3.100 0.670 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 -1.289 -12.342 -10.940 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 -2.831 -3.136 -0.480 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 -3.950 -3.031 5.934 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 5.425 -2.865 -2.675 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 1.740 -0.043 3.771 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 25.488 5.081 -11.102 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 -10.968 -2.352 -6.321 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 -3.949 -2.846 -1.066 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 3.218 -1.337 2.077 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 -8.833 -8.817 -7.732 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 7.021 5.677 0.003 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 7.050 -1.725 13.974 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 -4.808 -9.135 -3.289 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 1.813 -5.838 7.078 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 -20.130 16.838 -2.407 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 -17.251 -21.146 13.480 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 -6.451 4.393 -2.610 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 -11.172 10.163 3.929 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 -7.869 4.130 -2.004 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 -4.643 5.766 -0.859 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 33.000 6.649 0.480 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 -9.876 5.836 7.648 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 -2.534 4.895 -3.970 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 0.018 4.338 -4.092 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 1.137 -6.003 -0.292 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 -4.608 3.621 -1.554 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 -3.001 -24.784 -5.341 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 -1.234 -10.430 -3.257 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 1.396 3.772 1.993 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 -9.800 -3.356 -4.089 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 -3.708 3.104 2.502 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 1.192 2.707 0.980 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 0.270 0.955 -0.682 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 -7.646 -14.146 -7.587 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 -0.430 6.291 -9.285 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 8.490 1.446 -14.465 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 10.182 3.623 -4.859 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 -2.925 4.584 2.555 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 26.405 -17.939 -11.990 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 4.818 17.871 9.611 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 3.814 3.583 1.622 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 0.381 -4.051 10.156 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 -12.820 -2.706 -0.228 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 2.855 -7.130 8.309 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 -13.836 6.299 7.913 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 -4.658 -3.912 11.568 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 1.744 -4.779 0.565 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 13.630 10.343 0.144 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 -1.863 -8.857 -12.617 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 2.201 2.813 3.932 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 8.132 8.852 15.618 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 3.902 -1.598 -8.544 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 -3.758 6.941 -7.913 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 -0.755 11.228 -7.812 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 -21.600 -12.494 -0.754 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 -3.946 1.695 3.089 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 -15.975 11.402 -18.917 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 -13.465 -10.130 10.087 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 4.962 4.817 4.081 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 6.602 7.760 3.449 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 -1.480 17.533 8.018 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 1.531 1.248 -4.636 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 1.833 -1.052 -5.771 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 15.929 18.813 15.269 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 4.469 0.453 4.807 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 2.874 7.704 -20.883 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 -8.539 -12.639 9.884 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 4.168 -2.446 1.076 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 -20.746 15.726 24.095 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 17.180 10.881 9.677 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 3.746 3.639 4.286 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 5.372 24.860 -10.106 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 21.655 -9.443 -4.867 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 5.608 4.836 7.933 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 10.100 -14.152 12.743 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 -6.049 12.744 7.977 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 2.063 -2.394 -4.973 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 2.764 5.072 5.718 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 -0.248 1.246 -1.309 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 2.508 3.298 3.072 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 -5.361 10.660 5.341 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 1.374 -1.903 -9.272 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 2.808 0.650 -1.451 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 5.932 1.568 6.101 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 -0.307 -0.569 -5.884 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 5.452 2.101 -4.839 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 15.053 -3.483 -9.723 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 16.912 -3.336 -10.156 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 -1.813 0.879 1.237 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 4.863 -2.026 52.397 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 -3.404 26.681 0.844 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 -1.977 5.766 4.718 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 -1.647 14.638 1.153 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 -8.689 0.753 -1.409 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 1.131 -0.986 5.485 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 0.631 -14.410 1.094 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 2.387 -11.737 -0.858 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 0.992 -0.500 2.765 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 -2.302 -2.974 7.901 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 -4.698 -5.550 10.514 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 3.709 -3.055 0.947 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 -11.036 2.253 -13.391 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 -2.429 -13.673 25.500 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 7.412 4.843 -1.150 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 -0.394 17.466 31.766 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 7.200 14.740 1.079 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 -2.259 -3.953 -3.804 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 -1.935 4.249 -2.699 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 2.696 4.937 -2.720 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 2.733 5.005 -4.785 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 -1.939 10.891 2.937 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 23.977 -2.580 22.952 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 -3.483 0.049 3.280 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 -26.710 34.091 -4.789 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 3.623 -7.361 -3.481 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 5.286 2.902 -0.223 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 21.106 -3.359 -12.662 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 -6.941 13.032 -13.311 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 1.277 3.569 -6.443 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 -8.554 8.821 -8.345 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 1.086 -2.378 -6.145 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 -5.547 5.968 3.136 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 -12.706 0.181 8.839 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 7.318 32.736 -7.447 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 2.922 0.950 7.587 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 -5.820 0.367 7.667 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 0.966 7.771 -14.263 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 -3.188 0.735 -1.111 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 2.552 4.703 15.325 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 7.002 -14.049 -5.346 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 4.497 -0.652 -1.350 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 -6.716 14.868 -6.311 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 9.193 7.470 20.473 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 0.124 -4.064 9.859 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 8.079 -11.594 10.705 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 -2.697 -4.290 8.559 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 3.181 -1.182 0.927 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 -8.651 6.988 -1.941 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 -24.684 6.123 -7.566 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 1.922 -0.613 -1.055 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 16.536 33.310 7.393 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 14.812 4.357 -1.938 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 8.590 1.158 2.794 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 -17.676 8.889 2.149 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 -22.187 2.522 21.542 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 2.174 -3.501 5.418 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 26.365 3.722 8.733 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 11.601 -0.869 2.631 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 -1.291 7.508 -3.833 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 23.302 3.448 -42.937 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 20.956 4.827 -25.310 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 1.965 1.213 1.203 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 8.586 6.025 -15.651 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 -13.489 -8.301 -2.961 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 5.780 0.697 -8.825 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 -18.706 4.438 -10.774 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 16.799 -0.971 -6.891 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 -5.897 3.619 3.963 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 -11.373 -11.797 -5.150 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 2.702 -1.904 17.961 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 1.681 2.007 3.111 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 5.965 -6.856 -2.617 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 -5.386 19.180 0.270 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 0.685 2.541 -3.797 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 17.375 -0.494 13.031 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 4.165 -26.140 -23.789 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 3.365 3.121 6.827 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 -27.113 22.059 -0.139 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 -13.750 -11.665 -2.447 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 -2.498 -2.425 -3.691 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 -6.963 6.815 -10.349 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 -6.769 15.732 4.075 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 1.480 3.156 -2.600 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 18.098 2.015 9.346 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 -17.169 3.511 -16.090 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 -3.844 2.603 2.522 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 -20.060 14.978 -6.937 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 7.435 -9.058 -16.277 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 -1.163 1.314 -0.500 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 18.780 -24.698 29.070 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 -7.970 27.768 0.267 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 0.574 5.379 0.487 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 7.673 32.970 15.964 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 -6.321 11.451 -2.852 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 0.242 6.435 0.668 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 -3.074 12.155 4.910 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 10.010 8.714 -12.053 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 1.168 -5.523 -1.132 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 -19.675 -2.944 -5.961 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 14.298 -6.413 -0.617 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 0.358 3.953 -3.274 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 0.182 6.611 7.886 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 11.547 3.938 -7.493 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 5.009 0.297 1.531 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 13.565 -8.949 -4.422 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 -29.014 25.291 3.499 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 -2.955 -0.647 -0.810 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 -3.977 16.494 5.066 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 13.150 -0.767 -20.705 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 5.964 1.356 -2.324 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 -3.075 -6.792 -1.833 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 14.066 8.957 -3.620 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 3.461 3.690 1.799 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 -14.872 19.186 12.101 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 15.349 0.713 28.354 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 1.689 4.417 -8.255 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 5.429 4.252 -7.672 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 -11.141 -3.791 12.591 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 6.198 -0.704 1.583 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 -13.833 -1.969 54.146 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 -7.674 -9.043 11.217 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 3.431 -4.936 3.444 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 -0.717 24.189 -9.255 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 2.406 -15.300 2.948 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 4.915 -5.263 -3.108 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 -3.983 -2.456 9.627 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 12.540 -21.889 -4.059 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 -0.549 -0.299 13.751 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 -5.307 -11.760 21.407 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 -5.326 -2.405 17.819 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 -3.870 6.738 4.835 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 -1.370 6.745 -9.896 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 -1.876 -6.737 9.313 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 1.727 -4.751 -3.770 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 -16.288 6.748 -1.863 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 10.829 -2.789 6.446 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 1.807 7.326 -1.988 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 24.092 21.930 -14.076 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 -5.135 1.918 3.297 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 0.679 3.596 8.987 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 -10.687 -3.281 -13.699 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 -7.736 -8.893 28.691 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 0.027 -3.214 -2.470 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 -3.993 17.639 -15.338 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 -13.691 -3.943 10.026 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 -9.596 3.503 -2.348 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 9.651 6.299 0.051 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 -9.181 29.629 -2.246 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 5.667 -4.365 8.160 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 -1.710 -3.942 -29.978 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 27.420 1.732 12.036 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 4.720 8.915 -5.126 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 -8.080 12.446 -4.476 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 -7.807 4.148 14.069 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 0.165 2.651 -1.113 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 2.165 -2.839 5.180 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 -8.107 5.940 2.130 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 1.821 3.765 0.138 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 -13.743 -10.012 5.131 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 22.262 23.853 -7.093 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 -2.583 0.189 -2.953 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 -9.609 4.011 -0.648 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 -3.796 -4.358 -6.732 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 -1.299 5.701 -9.619 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 -1.016 6.608 -9.557 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 -0.344 -9.703 -24.917 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 -1.860 -1.121 2.243 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 0.495 -18.821 25.186 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 22.347 17.109 2.737 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 -0.491 2.189 -5.176 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 -21.591 23.722 28.574 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 29.586 5.019 -7.036 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 -0.641 -1.264 -7.552 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 19.571 10.443 -25.958 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 43.866 32.672 6.955 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 2.346 -5.593 1.246 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 15.589 -8.351 13.777 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 -23.327 16.889 -21.393 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 -1.765 -2.136 6.385 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 -3.205 2.876 -5.991 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 -3.633 2.688 -14.885 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 2.862 -2.448 -2.360 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 -1.603 -1.061 -1.216 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 -41.085 -0.349 -13.713 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 -2.021 1.949 4.286 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 -1.509 -4.520 -1.680 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 -23.106 5.591 9.885 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 2.691 3.970 4.023 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 0.649 -1.021 0.969 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 1.539 8.376 -8.756 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 0.766 0.312 1.490 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 -3.083 4.232 12.918 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 1.331 -0.246 -0.066 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 -8.167 1.371 -3.450 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 -18.238 9.312 -13.745 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 -11.178 6.532 -5.819 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 -3.213 -2.326 -0.851 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 4.449 -2.730 -4.359 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 -16.312 0.246 3.113 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 1.947 -1.522 0.170 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 3.646 -4.136 -9.638 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 8.548 -9.458 3.603 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 -4.821 -4.552 1.024 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 4.345 13.558 -3.345 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 18.788 11.059 21.295 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 0.078 -4.427 5.277 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 2.951 -18.720 1.779 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 20.026 -18.705 10.312 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 -5.109 1.085 -4.880 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 -4.377 -14.178 -7.226 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 -2.912 -5.436 -5.728 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 -1.819 -5.468 3.795 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 -1.096 -9.725 11.768 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 -10.861 -4.289 3.077 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 -8.046 3.269 -0.222 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 4.894 22.374 -14.782 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 9.550 5.220 10.490 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 2.858 4.682 6.624 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 -5.018 8.084 13.007 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 -16.010 29.499 -11.450 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 7.644 2.150 -1.876 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 4.934 6.444 7.014 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 10.532 -2.747 -9.133 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 -0.523 -1.758 -3.631 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 -5.175 3.677 4.976 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 8.794 -9.333 5.627 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 2.254 -5.709 -8.406 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 -3.764 -9.660 -14.199 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 20.576 6.580 10.322 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 2.460 -7.168 -3.182 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 8.831 -8.690 -6.742 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 27.534 16.584 16.274 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 2.977 7.926 -4.009 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 6.827 7.225 -2.002 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 12.768 1.239 3.757 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 5.292 1.276 -0.240 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 9.027 0.811 6.719 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 9.813 6.482 -0.134 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 0.742 2.454 1.133 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 5.507 3.818 -2.576 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 -16.368 -10.134 15.932 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 -0.474 2.063 -4.796 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 -3.489 5.949 0.700 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 8.427 9.548 -3.364 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 -4.238 -0.143 1.586 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 9.816 7.351 -13.615 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 -14.222 3.090 11.497 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 -0.608 -0.880 -6.706 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 -7.797 20.143 2.190 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 -5.278 -0.196 9.479 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 -0.092 -0.931 -1.942 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 -13.618 6.141 4.618 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 -4.049 -6.627 1.476 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 0.591 -3.835 4.954 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 7.455 -6.664 -16.533 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 2.003 -3.419 -5.030 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 -2.748 4.510 1.522 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 -1.816 3.602 -5.002 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 -19.563 11.987 -9.454 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 -3.317 -0.501 -2.676 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 -21.664 48.144 -29.346 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 14.501 20.177 -8.336 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 -7.573 -3.096 4.395 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 -12.411 -21.063 -13.330 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 0.759 -4.734 -2.974 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 -5.099 1.599 -1.088 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 6.363 6.379 -8.035 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 -10.926 -10.530 -4.921 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 -0.663 3.054 0.178 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 -14.207 -15.006 -9.327 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 -11.589 6.859 -2.851 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 -5.456 2.075 -1.827 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 -2.327 1.312 11.569 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 -1.341 13.158 -15.087 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 4.353 1.259 -5.779 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 0.982 -13.735 -0.435 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 18.564 -0.666 -12.476 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 -1.922 2.933 1.670 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 -13.804 -0.089 3.023 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 -3.479 -12.513 9.973 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 -0.355 -3.392 -0.621 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 14.039 -7.360 14.111 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 -16.574 1.525 -17.972 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 1.274 -4.768 -0.831 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 3.288 -10.891 -1.678 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 -4.815 -4.234 32.972 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 1.002 3.290 0.123 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 13.713 5.935 -12.677 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 4.973 8.144 -4.701 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 -2.691 4.364 4.652 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 14.166 -1.735 -0.450 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 1.688 2.945 2.635 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 -1.285 -1.481 5.684 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 -6.283 10.402 10.277 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 20.032 -9.763 -2.175 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 -6.957 -2.399 3.342 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 17.397 -7.399 -17.124 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 23.671 -8.353 -14.302 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 -3.342 0.019 -0.492 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 -4.062 3.941 7.180 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 16.101 0.553 20.595 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 -5.341 0.617 0.018 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 -23.009 -8.407 26.235 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 -20.963 -8.178 24.655 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 1.762 1.491 -5.686 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 17.404 -18.859 13.113 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 5.610 1.490 -3.787 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 -1.842 0.561 -3.408 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 5.290 15.126 12.450 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 -0.494 -11.279 2.687 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 7.074 -0.965 2.352 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 9.356 -4.192 11.265 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 3.086 -6.200 -3.536 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 0.248 5.197 2.546 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 6.747 16.872 -16.680 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 -1.068 12.272 1.342 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 2.448 4.020 -0.979 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 -0.950 -3.819 9.709 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 -9.156 4.786 -8.973 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 -5.702 5.742 2.098 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 -13.917 8.931 -0.938 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 1.663 6.154 -0.432 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 -0.987 -1.781 4.085 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 20.645 -19.272 12.287 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 -9.273 4.964 36.767 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 2.008 3.230 -4.818 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 -0.059 14.085 -0.679 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 4.980 -22.448 9.966 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 3.660 0.858 1.885 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 -1.575 -5.777 -3.729 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 -8.464 -15.091 25.436 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 -6.212 -7.545 3.349 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 -5.526 -16.020 -8.406 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 -8.805 -1.727 4.543 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 -1.835 -4.996 -0.514 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 2.972 -3.527 23.088 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 21.237 0.329 -6.342 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 3.710 -1.810 -4.416 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 -4.628 5.312 6.527 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 -3.589 7.687 6.097 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 -0.782 -1.797 -3.296 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 -5.341 37.721 12.166 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 22.446 -7.097 -13.772 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 -5.753 2.045 0.913 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 -4.129 -4.784 6.137 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 2.519 4.498 -0.888 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 3.175 -1.710 0.857 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 6.389 -15.903 5.045 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 -8.452 -8.933 -5.670 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 -4.111 5.663 -9.577 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 4.373 0.599 1.576 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 -0.414 0.579 10.780 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 5.171 -4.958 1.225 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 -6.324 -12.014 25.861 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 5.345 -5.824 13.806 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 -4.548 -1.164 7.438 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 -10.471 -9.327 8.145 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 2.778 -4.312 2.670 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 -3.234 0.830 -1.015 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 -17.179 7.952 -6.402 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 3.602 2.211 5.999 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 0.074 -3.645 -4.763 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 -5.950 6.017 -0.298 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 4.072 -7.498 -2.291 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 5.082 4.780 0.836 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 -10.176 -12.196 19.275 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 7.135 10.935 4.648 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 2.695 8.109 -1.071 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 10.334 0.790 -7.031 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 0.293 -1.999 1.332 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 -5.150 0.124 -4.007 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 -5.628 -23.145 -3.011 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 1.686 15.679 2.396 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 1.475 -2.799 -2.678 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 -13.748 -26.638 26.435 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 -28.868 5.358 -32.649 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 -5.209 5.640 3.763 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 -7.630 0.158 -6.464 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 25.346 -9.573 44.691 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 2.338 6.373 3.826 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 -22.885 5.377 3.885 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 21.291 -10.573 19.940 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 8.157 0.168 -0.042 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 15.353 -15.707 5.084 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 -8.816 -0.099 9.617 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 0.770 3.922 0.028 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 -12.512 -20.833 6.174 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 18.041 22.573 4.143 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 9.055 -12.042 1.298 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 9.967 13.751 -15.267 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 21.688 -14.666 -10.294 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 5.139 5.110 0.182 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 -22.631 13.868 -27.964 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 13.716 2.578 11.138 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 1.723 -6.803 -1.516 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 1.690 -10.228 -1.436 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 -6.590 -3.571 -2.892 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 -0.685 -10.640 0.635 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 33.579 -14.306 -14.593 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 32.114 19.624 -12.523 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 -1.584 -0.751 3.069 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 -17.736 -2.047 8.910 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 -2.017 -11.090 -10.418 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 4.183 -2.577 2.365 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 5.979 -5.230 1.964 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 4.528 1.487 -2.070 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 -4.389 7.700 -3.454 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 13.052 15.069 -15.945 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 0.131 13.180 -1.930 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 -0.626 1.457 3.038 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 -1.217 15.326 -10.804 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 -14.406 -21.729 10.128 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 3.195 5.105 8.846 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 4.348 10.469 4.725 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 20.874 10.812 -10.685 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 -2.374 -0.340 1.937 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 -4.325 5.219 -2.856 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 0.854 -8.687 9.807 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 2.197 0.236 -2.691 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 -7.212 9.105 3.715 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 3.747 3.319 -4.255 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 -5.507 -3.224 -8.344 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 -18.687 0.827 -10.469 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 16.847 -4.392 -3.682 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 -3.394 2.390 4.725 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 12.655 0.244 5.943 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 23.170 19.011 16.848 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 -3.957 -2.316 0.236 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 6.411 -5.200 -2.338 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 -7.788 6.109 -5.321 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 3.169 -3.817 0.854 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 18.911 27.030 -6.337 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 11.674 0.218 4.658 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 6.521 1.967 -3.897 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 -2.198 19.470 -6.611 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 8.947 0.034 21.236 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 -2.642 0.888 -0.373 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 0.551 0.544 4.459 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 -6.699 -1.648 0.343 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 4.099 -1.054 -0.969 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 5.536 -2.425 -6.302 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 10.387 -1.286 1.524 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 0.645 -4.644 0.083 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 6.884 -11.209 1.392 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 -3.287 -4.560 8.892 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 1.143 2.184 -1.791 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 3.846 -1.683 -2.694 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 -0.506 -4.539 -3.126 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 3.336 -0.040 5.665 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 1.858 -11.184 6.551 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 1.482 -0.876 -7.132 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 1.658 3.597 -1.048 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 -0.572 -13.211 16.114 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 -0.597 15.384 -9.723 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 9.173 -0.098 2.367 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 17.347 -3.072 -28.742 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 2.538 1.797 19.384 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 -1.092 1.894 7.180 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 0.408 -4.283 17.994 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 17.938 -21.508 5.880 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 3.038 7.442 -3.181 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 -9.687 10.227 3.134 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 6.307 -19.837 -5.525 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 1.523 -6.684 -7.220 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 1.060 -3.427 0.814 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 27.860 0.661 -4.104 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 2.300 -3.278 -1.683 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 10.048 0.666 -21.878 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 -1.771 -3.499 7.014 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 2.084 2.169 0.250 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 5.294 5.258 -15.092 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 12.355 -5.635 -0.274 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 2.606 5.765 -0.781 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 7.839 -6.858 8.803 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 -10.683 -10.478 -16.771 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 -1.624 6.295 -0.513 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 -13.419 15.848 -7.813 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 -8.151 -8.931 -2.205 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 0.552 2.996 -7.363 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 -3.167 11.133 -0.819 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 -4.103 5.565 11.580 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 2.318 -3.602 4.206 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 -14.097 4.606 12.979 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 18.608 1.241 -6.070 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 -0.696 -6.683 -0.172 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 -9.315 15.536 -27.197 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 -0.416 20.608 34.021 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 1.993 1.083 4.769 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 1.251 -8.466 17.139 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 -1.844 1.033 5.937 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 -4.515 -0.861 2.635 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 -6.932 -6.580 -10.675 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 -11.894 0.535 -12.179 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 -1.192 5.378 5.709 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 -19.861 17.985 10.876 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 11.573 -2.474 2.314 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 -1.390 5.574 0.014 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 -6.047 6.922 -2.706 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 -21.920 19.121 4.171 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 -6.725 6.562 -4.506 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 -17.598 -14.368 2.049 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 9.636 -9.706 -4.454 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 1.491 4.482 3.134 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 1.977 5.586 3.459 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 9.173 -3.727 4.492 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 0.610 -5.198 -2.966 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 -1.511 -5.258 -0.905 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 10.998 -3.518 -12.594 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 4.284 -2.438 2.636 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 -14.348 -17.967 -18.345 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 -18.555 -40.348 -17.339 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 -0.958 3.788 -3.054 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 14.155 10.006 4.195 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 -7.799 -6.628 -18.562 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 1.808 0.503 -7.697 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 19.664 10.787 -9.291 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 -5.533 -2.379 -4.192 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 2.009 2.161 5.673 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 -9.735 -3.589 -9.736 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 22.768 -2.760 25.737 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 2.884 2.746 2.549 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 3.049 3.379 4.243 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 -15.411 -14.183 -17.438 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 -7.082 5.605 4.870 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 -16.779 17.463 -10.912 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 -6.971 -6.958 -17.092 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 -1.964 0.299 4.102 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 21.038 -24.342 -19.790 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 -2.401 2.107 4.672 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 -3.089 -3.451 -1.367 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 -5.118 11.198 7.475 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 -5.622 -5.857 0.235 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 -2.210 0.221 -0.209 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 -11.646 -0.787 -10.764 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 17.431 -31.244 2.483 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 -5.259 -2.712 0.858 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 -0.651 -16.129 -6.003 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 13.517 -4.387 -1.574 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 -1.176 1.610 -0.162 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 -8.582 18.764 31.573 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 30.666 9.961 -11.958 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 -5.754 -0.172 -0.706 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 4.444 11.873 -14.119 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 -1.181 3.899 18.143 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 4.764 -0.693 8.668 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 2.380 -1.936 8.718 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 12.540 -1.344 4.417 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 7.134 -1.694 0.007 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 -0.724 -22.248 -3.022 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 30.664 -28.076 -8.979 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 1.110 -3.888 2.262 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 -10.503 -1.770 3.121 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 17.514 9.933 -6.703 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 -3.451 2.872 -1.575 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 -7.554 10.396 17.263 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 -17.220 -9.055 -0.959 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 -4.137 1.145 1.536 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 14.002 -2.456 28.428 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 -9.589 -7.514 8.252 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 3.107 2.772 -2.361 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 4.971 -10.815 1.798 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 5.271 -10.506 0.614 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 -3.025 0.023 1.221 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 -0.306 11.078 -14.602 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 -9.715 26.850 -39.596 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 -7.039 -10.918 0.580 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 -10.813 -15.734 2.489 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 0.466 1.082 -4.579 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 6.233 -9.002 5.800 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 -19.816 -7.098 -2.779 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 4.200 8.311 10.686 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 -3.360 0.274 -2.887 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 -10.843 -2.748 8.527 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 -2.191 1.883 -6.077 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 0.816 1.073 -2.212 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 -5.715 -2.687 -2.614 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 39.082 -8.454 -9.698 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 -3.062 -1.525 2.503 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 2.230 -3.415 12.661 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 11.876 11.373 -6.622 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 8.521 -0.441 5.496 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 -3.053 -0.133 3.190 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 -4.607 -4.751 1.838 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 1.783 7.502 4.109 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 4.023 3.541 15.505 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 13.691 0.894 21.581 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 1.448 3.516 -7.117 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 -2.409 2.632 -13.724 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 10.061 2.763 3.613 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 1.570 4.343 1.303 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 7.547 7.312 6.035 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 0.407 8.337 -2.876 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 0.753 3.056 -0.630 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 5.248 4.649 1.010 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 20.959 10.660 11.575 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 -0.621 -10.963 6.731 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 0.269 10.285 -10.038 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 5.065 -6.273 2.806 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 2.742 1.953 1.427 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 -0.156 12.989 11.757 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 -14.730 8.947 8.884 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 -1.007 3.027 0.216 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 5.708 5.232 2.022 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 -3.345 7.099 -5.024 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 -0.894 4.272 4.696 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 -21.153 0.410 -14.763 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 12.169 13.140 -13.122 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 4.589 -5.613 -4.216 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 5.841 -3.678 -3.131 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 4.598 -9.486 -6.743 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 6.259 1.022 -6.901 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 -10.105 4.837 21.291 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 1.373 18.368 16.631 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 3.499 0.851 -0.594 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 -2.725 31.826 4.850 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 -14.848 -37.375 2.523 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 4.869 -2.765 4.003 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 7.213 -9.915 -1.424 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 4.772 -13.929 -11.431 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 2.799 -4.634 -7.053 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 12.504 6.315 3.135 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 9.416 -3.544 -14.849 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 -2.163 4.381 2.568 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 1.288 9.820 5.547 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 -9.225 4.637 5.771 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 -4.856 7.335 -2.438 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 6.894 -15.152 11.359 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 -7.041 7.040 -2.084 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 -0.391 -7.060 1.557 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 1.708 -13.547 0.824 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 -12.238 -4.315 -4.487 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 -3.166 -5.036 0.153 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 -4.183 -11.879 -9.742 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 -3.644 14.856 8.211 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 2.107 -2.729 5.785 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 -18.109 9.917 21.759 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 -2.724 -9.208 18.975 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 -2.859 -1.608 5.025 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 27.003 12.334 -19.045 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 -3.213 -0.522 6.814 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 -4.319 0.199 2.132 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 -14.256 11.554 19.415 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 -3.228 6.825 21.451 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 -1.774 -7.646 0.457 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 9.002 -1.448 19.310 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 -12.445 -8.887 3.731 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 -1.453 1.262 1.591 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 5.544 -19.284 -2.122 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 4.020 -5.554 -2.869 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 -1.336 -3.833 -0.857 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 15.910 -0.071 -17.251 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 -24.673 -28.040 31.232 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 -2.926 1.025 4.420 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 -4.492 -1.104 9.832 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 1.463 4.673 7.888 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 0.398 0.928 -0.704 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 1.610 2.688 6.451 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 7.207 4.935 19.329 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 3.065 1.060 -4.145 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 6.178 -5.852 0.231 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 11.324 9.227 -33.759 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 -12.656 2.039 -2.687 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 -0.809 1.952 7.286 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 -6.147 -3.435 -1.727 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 -0.658 0.435 1.061 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 3.811 7.060 13.418 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 -10.284 -3.553 5.472 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 -0.807 -3.603 3.762 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 6.269 22.324 -40.920 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 21.760 27.381 8.122 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 -2.422 -3.299 -6.582 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 1.433 -9.290 -11.422 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 0.850 3.994 -9.796 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 3.843 2.573 0.594 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 -5.608 6.377 8.279 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 31.930 -21.510 2.576 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 2.205 -7.535 0.029 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 -28.660 -1.962 0.387 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 15.309 -8.759 -0.348 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 7.090 6.555 0.317 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 2.315 -10.143 9.730 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 3.193 15.250 3.557 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 3.879 1.736 -3.548 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 9.109 2.097 -3.176 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 4.027 7.929 2.472 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 1.845 1.905 -2.103 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 24.303 -6.028 3.866 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 17.826 -4.053 -0.219 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 -4.555 9.119 -3.560 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 -21.086 -0.422 -1.172 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 -17.543 3.604 -1.061 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 1.154 1.273 6.221 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 14.711 -9.974 -0.366 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 -25.414 11.307 11.375 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 9.522 2.053 -0.475 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 20.070 10.151 9.820 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 9.588 14.265 -5.269 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 3.068 0.504 -3.577 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 9.204 13.447 2.850 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 6.433 3.678 0.038 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 -2.495 4.413 -2.120 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 -11.992 -15.412 -0.650 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 5.514 -19.616 -1.754 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 3.479 -1.935 3.849 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 10.623 2.023 2.222 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 10.827 12.884 10.800 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 -7.361 -9.810 -4.130 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 -16.587 11.080 -18.990 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 11.445 -3.246 14.672 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 1.139 0.830 -0.717 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 20.722 1.116 7.912 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 -10.377 -1.399 -9.488 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 -6.353 0.510 2.774 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 -17.037 -2.275 -17.436 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 10.919 -3.392 -12.661 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 4.904 -1.171 -3.825 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 14.740 -13.470 0.836 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 -11.729 6.388 -6.107 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 -1.287 -5.818 2.286 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 -8.419 -26.930 0.636 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 -11.077 -0.624 20.065 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 8.820 -7.587 -1.680 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 13.193 -7.208 -8.180 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 21.438 -19.119 -13.972 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 3.906 3.669 -0.346 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 14.917 -8.280 21.882 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 -8.614 0.132 11.428 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 1.545 4.068 -3.034 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 -12.677 8.990 -20.296 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 1.230 -7.344 -17.120 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 -2.655 3.667 -1.672 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 -0.205 1.970 -2.329 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 7.053 -6.883 5.709 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 -5.778 6.434 -2.477 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 0.028 16.653 3.348 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 10.699 -9.611 -5.248 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 -1.650 3.455 -9.795 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 18.919 6.924 -11.932 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 2.096 0.498 -3.347 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 3.135 6.215 -0.532 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 16.264 -4.958 0.290 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 -2.871 1.127 -15.929 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 -1.907 4.022 1.693 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 -18.283 23.937 25.019 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 2.817 -0.941 -7.097 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 5.853 -3.508 1.707 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 7.725 -8.931 -2.179 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 -8.963 19.139 -28.548 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 -2.635 -0.042 0.448 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 13.621 -10.283 -8.270 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 18.884 -8.717 36.407 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 1.270 -3.316 -3.434 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 6.147 4.489 10.120 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 10.106 -4.039 -16.662 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 -0.182 3.766 2.947 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 1.775 -9.959 19.892 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 -2.085 -9.530 -14.119 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 2.443 -1.627 -9.252 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 -15.164 13.948 -14.605 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 13.436 -9.628 -11.067 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 0.816 3.976 -2.862 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 29.548 -25.561 -3.319 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 -16.607 21.294 -8.619 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 0.380 -0.098 4.244 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 -4.919 13.824 22.920 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 -14.770 14.845 12.839 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 -0.158 -0.450 0.213 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 -15.856 7.136 -7.396 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 -31.273 15.364 -19.991 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 -2.623 0.760 -1.855 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 -3.375 -1.854 7.485 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 -6.612 -5.857 13.098 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 0.167 -1.148 4.098 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 2.857 -9.877 23.799 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 9.561 -1.152 -6.254 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 -7.499 2.334 -3.272 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 6.350 1.318 5.091 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 -25.360 8.253 -0.553 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 -2.348 4.571 1.911 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 -13.540 18.811 10.591 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 -12.953 -3.970 -15.733 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 -5.204 -6.703 3.856 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 -2.377 4.629 6.619 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 -10.179 -6.638 2.779 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 0.351 -1.184 4.964 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 -16.260 14.991 8.936 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 -8.595 -7.343 2.195 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 3.798 1.932 -1.668 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 2.815 29.479 -12.402 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 19.014 -9.766 -20.045 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 2.440 -0.098 -0.514 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 8.629 -14.766 12.905 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 -15.282 -2.206 -13.863 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 -0.342 -1.811 -1.263 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 8.428 4.180 -5.509 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 5.170 -17.219 5.317 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 -5.630 -2.420 8.334 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 0.197 11.825 18.963 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 -23.599 -10.104 15.109 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 0.403 1.035 -0.798 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 22.866 8.721 -14.987 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 -11.216 5.647 -2.751 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 1.174 1.023 -1.739 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 -7.968 11.094 -11.836 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 3.890 -3.275 6.530 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 -0.689 -5.988 0.064 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 4.011 -5.883 0.539 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 -18.964 -14.648 -6.613 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 0.249 -4.035 -7.591 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 3.778 1.487 5.852 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 -19.233 -7.068 -25.978 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 2.277 -1.307 2.953 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 -5.746 1.598 2.086 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 9.484 1.459 6.839 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 4.682 0.446 -0.487 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 -1.684 -1.807 8.139 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 26.430 -3.145 -8.815 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 -5.738 -5.957 5.944 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 -17.556 -7.044 -1.337 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 1.065 -16.880 5.174 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 3.212 -1.393 -1.915 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 16.816 18.983 -18.634 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 5.480 -10.968 6.273 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 0.300 -3.694 -0.575 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 13.923 -13.971 -20.370 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 -20.499 -4.880 9.907 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 -2.041 -0.068 0.211 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 12.291 -7.989 -9.051 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 4.014 -2.620 -2.804 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 -5.619 -4.415 -9.442 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 2.922 3.263 -6.488 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 -16.204 -11.614 -12.443 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 -4.962 -1.349 1.469 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 -3.687 4.763 9.343 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 -8.873 4.159 -6.461 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 -3.275 4.027 1.737 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 -1.237 -3.032 1.080 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 -1.738 -4.557 -2.843 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 1.898 1.607 6.377 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 10.583 9.819 17.429 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 -1.772 -1.795 0.950 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 -0.922 -4.763 2.818 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 17.937 -1.775 2.833 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 11.264 -2.465 3.022 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 4.233 1.822 1.494 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 -0.519 0.961 11.116 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 1.609 1.269 -5.473 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 6.062 3.374 -4.120 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 5.266 0.994 -6.131 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 3.804 -3.640 -6.561 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 -1.205 5.748 1.011 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 0.284 13.952 6.848 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 6.553 3.606 -8.737 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 -6.431 2.350 5.983 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 8.594 34.446 -4.196 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 2.034 23.656 2.424 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 -2.348 0.004 0.917 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 12.174 18.854 11.928 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 6.307 -1.703 19.367 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 0.397 3.610 6.895 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 29.112 13.801 9.227 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 0.733 -4.002 1.238 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 2.536 -3.055 -1.251 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 21.678 -21.741 5.411 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 -17.036 -0.772 10.266 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 3.182 -0.586 1.240 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 8.509 -3.671 7.746 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 -21.552 -3.668 -13.786 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 0.173 -4.189 -5.708 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 -3.365 -9.664 -10.749 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 8.002 18.856 -7.416 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 3.652 1.310 -3.028 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 28.925 -5.558 14.488 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 -25.894 7.464 -21.552 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 3.832 -1.687 4.392 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 -3.514 -3.708 7.871 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 9.512 -0.912 10.436 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 5.577 6.567 6.788 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 -9.491 5.886 -0.351 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 23.858 5.188 4.700 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 2.335 -0.541 -1.746 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 -6.701 18.724 -11.129 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 0.976 -11.876 11.189 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 -6.189 -1.354 1.054 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 -11.097 5.987 14.002 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 6.668 -11.786 -10.100 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 -1.012 6.740 6.138 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 -0.001 26.355 -3.631 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 3.059 -9.472 22.030 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 -0.044 -6.385 0.505 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 9.224 6.082 1.402 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 -16.923 -10.323 11.464 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 1.777 -3.647 5.870 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 -0.019 4.221 4.136 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 -7.199 0.371 2.169 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 2.717 -2.369 0.045 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 4.099 18.569 -13.620 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 4.481 -15.033 16.067 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 2.427 -6.190 -1.991 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 8.305 17.167 2.714 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 -14.908 -1.924 -7.042 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 -1.192 -4.886 -6.841 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 -6.713 -8.119 -11.733 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 -0.588 -3.736 -8.181 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 0.289 2.178 -4.206 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 25.861 28.163 -22.615 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 -6.118 4.130 -16.422 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 1.889 4.882 -3.613 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 14.737 11.393 -10.580 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 -10.337 15.235 -6.776 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 -4.023 -4.684 -3.740 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 -4.543 24.089 -10.007 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 -1.478 -33.758 -16.578 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 -2.230 1.466 4.839 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 -9.993 -12.383 -11.263 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 14.132 -9.667 2.435 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 -0.553 1.351 -2.807 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 12.231 -4.582 -14.958 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 -16.889 -5.473 3.880 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 -0.176 -5.618 -7.015 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 -7.386 -1.054 -5.408 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 -13.569 8.593 1.806 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 -0.318 3.201 -7.599 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 -5.572 -18.036 10.513 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 -11.286 3.088 5.980 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 7.455 -3.313 -1.207 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 -5.483 -7.700 28.099 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 -17.017 13.375 -14.744 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 1.476 -1.016 -0.731 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 -16.193 4.012 -5.341 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 -14.267 -10.588 4.156 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 5.529 -1.558 8.049 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 12.771 3.598 1.061 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 -5.438 -0.510 4.540 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 -3.765 -0.173 2.322 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 -9.277 -12.168 0.279 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 8.753 8.572 11.980 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 2.371 3.194 -0.548 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 5.977 -19.172 11.116 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 -15.350 -20.437 -18.723 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 3.427 -5.076 4.808 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 -26.029 -2.331 7.969 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 -23.496 11.556 -0.025 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 -4.938 1.889 2.322 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 0.338 10.114 -2.428 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 -3.178 -3.915 -0.151 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 8.157 6.064 2.414 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 -16.570 21.012 13.798 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 12.627 -19.286 -9.556 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 3.051 -4.827 0.787 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 4.670 5.874 10.570 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 6.323 1.344 -10.416 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 -6.807 1.672 2.893 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 5.340 2.048 -12.807 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 12.289 2.437 -22.812 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 4.803 5.344 5.397 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 -22.842 2.695 8.074 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 13.822 25.120 9.167 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 0.555 -4.968 4.559 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 3.550 -4.595 3.061 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 27.183 0.493 -1.295 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 3.192 -1.816 5.707 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 10.179 9.384 -17.242 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 32.516 4.765 -0.695 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 6.802 -3.485 -4.797 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 5.378 -0.071 -13.450 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 5.837 -8.125 -6.862 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 -3.132 -0.648 3.360 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 21.224 -0.014 0.726 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 -3.435 5.714 5.115 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 7.309 -3.776 2.337 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 13.704 4.559 -3.761 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 3.659 4.872 4.598 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 -0.259 9.119 -1.769 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 -9.393 5.463 3.358 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 7.548 10.465 2.942 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 2.108 -0.270 4.469 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 3.640 -8.272 4.582 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 2.330 -4.102 4.472 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 5.238 1.763 4.115 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 4.414 -0.507 0.389 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 -16.343 -14.275 -15.904 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 -0.145 -2.477 -0.557 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 30.656 -13.624 -28.212 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 -0.609 -4.157 -14.288 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 0.621 -3.311 8.833 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 -7.223 24.117 -15.493 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 7.307 2.712 -0.188 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 -3.164 0.668 -2.919 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 9.886 7.363 -19.668 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 -21.991 1.209 2.744 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 -1.796 -6.376 0.674 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 0.011 -17.921 9.873 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 -15.399 9.292 -2.347 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 5.849 2.320 2.283 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 -22.382 9.292 7.463 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 34.525 -6.770 -6.077 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 -0.290 1.034 6.542 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 -9.581 -25.451 7.454 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 12.199 18.738 5.616 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 3.761 5.320 1.314 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 8.653 17.484 -10.378 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 25.026 5.700 14.930 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 -3.423 1.756 0.716 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 -7.833 -5.242 -12.559 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 -16.598 -8.929 37.630 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 -3.013 1.168 -1.593 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 -12.001 -6.455 -11.857 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 3.081 17.462 -9.824 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 5.220 6.476 -1.222 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 6.481 -17.961 0.804 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 -12.105 4.589 14.440 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 -2.586 -2.413 6.479 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 5.198 3.014 -25.553 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 0.835 -2.097 -9.880 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 -1.136 -4.871 1.580 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 -0.406 3.377 26.774 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 -11.047 11.986 5.531 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 -0.540 2.723 2.802 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 14.046 -4.116 3.480 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 -18.578 4.424 -2.786 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 -4.340 -0.932 1.333 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 -1.976 -14.025 9.069 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 1.941 1.202 5.880 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 -3.443 -0.194 -1.308 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 -28.882 -17.911 12.372 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 -17.361 -19.662 -4.901 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 2.906 -1.074 2.297 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 8.319 -1.246 -4.197 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 -1.310 3.546 2.614 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 3.015 -4.362 -3.689 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 13.424 0.265 -18.289 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 -6.864 -11.828 -7.013 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 -2.697 0.871 1.244 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 9.143 -0.803 -3.573 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 -5.260 -8.967 -6.377 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 -7.004 1.290 1.823 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 -1.636 -1.804 -7.900 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 -7.863 -15.436 -7.147 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 0.086 -1.612 0.464 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 -2.758 12.942 4.885 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 -10.919 -3.849 -12.561 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 -0.040 5.337 -3.496 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 7.350 -3.520 5.868 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 -12.543 10.308 14.438 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 -1.721 0.605 1.215 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 -16.671 -43.260 -15.921 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 23.015 2.044 12.027 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 6.912 2.289 1.357 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 3.188 3.490 -6.058 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 6.961 4.287 4.209 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 2.833 2.022 1.036 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 24.902 7.427 10.516 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 -17.713 6.232 -0.526 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 -0.455 -3.279 -6.895 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 6.702 -9.178 2.928 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 6.915 -21.042 -9.741 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 -4.508 3.727 -2.616 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 -2.266 -12.751 -3.144 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 -7.626 -9.985 -28.709 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 -2.515 -4.494 3.435 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 -4.210 -1.230 -8.423 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 -8.422 -13.579 2.216 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 -11.095 1.158 2.185 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 -2.320 0.935 -1.333 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 -0.814 -6.789 -7.545 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 -2.467 0.262 -0.226 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 -7.628 11.064 11.101 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 1.515 4.547 -11.552 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 0.775 -3.256 -0.635 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 -1.387 -1.780 0.801 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 3.841 -0.777 -0.886 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 -4.408 4.738 -0.045 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 -10.253 5.795 -6.916 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 -7.964 6.010 0.642 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 6.681 6.908 3.626 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 3.390 4.246 -1.862 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 8.555 10.400 15.806 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 0.201 -3.342 -4.791 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 -6.115 -6.076 -8.405 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 0.701 -1.120 -4.207 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 0.296 -1.610 -3.943 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 18.466 6.512 -2.265 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 -7.061 -14.936 -14.298 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 -3.674 -2.098 -0.972 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 -14.732 2.859 4.592 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 -7.488 -3.223 -14.276 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 -4.061 -5.650 -3.824 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 -4.055 6.988 -4.961 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 -9.469 15.322 -7.353 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 1.823 -1.713 -2.539 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 15.329 -4.830 -18.159 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 -0.811 -4.852 -17.191 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 -1.009 -4.750 4.705 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 -2.315 -5.349 3.286 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 2.302 -0.483 -3.284 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 -0.581 -3.384 4.893 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 1.209 0.789 -7.635 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 -11.116 3.062 8.381 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 1.850 0.204 -1.651 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 9.341 -17.775 -12.058 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 2.358 -1.990 -2.071 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 -1.361 -5.956 -3.874 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 -0.915 -16.205 -13.541 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 -2.877 -9.540 -6.774 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 1.586 -1.763 -0.936 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 -0.990 -1.445 10.141 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 4.033 -0.556 -1.788 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 5.648 -2.883 2.971 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 -0.794 2.593 -0.119 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 6.434 4.117 -4.219 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 0.480 4.230 1.106 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 -10.525 -0.319 -5.877 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 1.563 -20.088 -1.112 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 2.896 -4.328 -0.608 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 -13.680 -10.067 -7.240 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 -6.128 11.255 18.491 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 -2.326 4.636 2.443 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 -22.508 -3.439 -14.122 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 -8.839 3.866 -1.640 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 0.395 -4.382 0.015 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 -1.762 -9.104 -1.725 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 -1.796 1.218 -1.328 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 -0.082 -0.413 -6.456 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 0.013 7.831 15.034 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 -7.172 -7.599 -0.884 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 0.826 -0.864 1.154 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 -14.637 -3.229 3.416 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 3.266 3.086 1.749 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 -3.503 -1.657 7.937 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 -1.818 -3.351 7.555 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 -11.544 -2.789 12.077 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 -0.956 4.081 -1.486 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 3.966 -17.560 -4.387 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 -0.565 -9.999 -0.009 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 -5.385 -1.790 -4.238 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 11.393 5.859 -8.767 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 6.290 -4.868 -17.942 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 -3.249 -0.515 0.095 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 -2.451 -1.915 -0.528 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 -8.553 18.051 3.411 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 -1.246 3.478 3.704 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 -6.448 3.279 -15.477 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 -21.561 -5.104 22.260 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 0.218 0.770 -1.719 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 -12.140 -9.926 -4.392 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 4.806 -1.007 10.713 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 0.737 -0.055 1.391 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 -4.038 -4.434 0.173 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 6.514 -3.171 -1.719 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 -1.812 -4.926 -3.330 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 -8.718 -0.720 -0.669 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 -16.772 -0.859 -7.975 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 -1.481 -1.802 4.554 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 3.760 -2.621 8.578 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 2.670 -5.072 4.116 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 -6.373 -1.683 -2.038 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 -1.297 -9.652 20.122 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 -17.642 5.247 -37.471 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 4.217 -2.042 4.981 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 -0.313 -10.605 -4.640 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 -6.030 11.901 24.744 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 -4.412 -0.196 4.678 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 -20.240 -10.904 -2.879 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 -13.233 3.799 3.419 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 -1.004 -3.141 -1.172 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 -7.985 -1.157 3.666 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 -0.132 5.552 -15.107 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 -3.427 -0.610 5.475 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 -2.906 13.642 -7.916 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 -10.373 1.310 0.133 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 -1.539 3.412 -4.312 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 -0.773 -6.047 -26.035 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 -1.269 -9.144 -37.334 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 4.330 -3.323 -0.983 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 3.930 -10.395 -1.602 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 0.466 -4.301 20.882 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 1.524 -2.026 0.471 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 -3.276 -7.559 3.560 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 3.144 8.196 -12.232 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 -12.470 -5.321 -0.346 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 -4.080 11.139 -20.807 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 -16.257 -16.403 -9.032 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 1.476 4.011 -0.529 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 9.248 0.577 21.635 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 -19.234 -3.462 13.211 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 -3.290 -0.719 1.078 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 -3.974 15.153 -13.832 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 6.545 2.736 -30.786 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 4.352 -2.538 -4.867 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 -14.715 -0.098 -7.096 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 -7.761 -0.775 -6.586 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 5.276 4.574 -0.329 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 4.273 5.148 -20.268 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 9.381 7.220 -14.214 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 -5.471 3.374 -6.409 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 -9.453 3.121 2.751 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 4.069 2.981 -5.267 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 1.336 -2.962 2.270 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 -0.060 11.436 13.733 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 15.693 -15.946 4.123 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 6.904 1.495 -2.299 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 -2.045 4.808 -0.431 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 15.485 2.101 4.977 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 -2.803 -3.564 -0.845 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 2.985 0.287 18.938 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 -14.455 -3.427 4.407 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 -0.082 6.015 2.711 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 3.354 27.070 6.440 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 28.086 -23.516 -6.347 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 -2.500 -4.458 4.407 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 2.166 5.536 -15.035 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 1.434 -12.772 10.934 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 -7.034 -2.102 2.661 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 26.237 1.353 -3.642 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 13.992 2.236 -3.926 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 -2.697 3.466 1.270 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 -0.185 11.396 4.079 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 -1.449 5.506 3.157 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 2.144 -4.333 -2.501 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 23.786 -12.481 4.342 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 -0.566 -8.180 -0.140 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 -0.849 -1.405 2.958 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 -1.028 5.391 4.331 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 -11.294 -7.726 -1.421 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 0.524 -1.648 -3.772 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 0.396 -3.697 -6.437 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 -3.362 -9.474 4.631 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 -3.521 2.859 -0.811 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 -12.869 11.730 1.786 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 -12.597 -2.521 0.153 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 7.363 -3.936 -0.702 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 5.757 1.533 5.142 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 5.761 -6.117 -1.914 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 0.353 1.763 -0.326 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 -11.315 -17.461 -32.517 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 32.439 0.981 6.248 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 1.629 5.494 -4.162 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 21.723 -12.691 10.817 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 20.973 -8.365 6.870 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 -0.227 0.235 -1.626 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 -8.457 1.053 -8.260 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 -4.223 -2.067 -2.628 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 -3.346 0.721 2.413 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 -12.233 -14.696 1.751 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 -4.035 -1.561 6.673 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 1.133 -1.360 -0.817 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 -4.308 -6.872 -0.865 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 20.753 13.430 1.271 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 -0.572 3.682 0.061 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 4.466 5.249 -0.019 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 1.236 2.674 0.372 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 -0.936 7.483 5.269 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 0.104 0.157 1.999 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 -4.658 11.535 4.832 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 -2.561 -3.570 -6.572 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 -4.335 2.224 4.580 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 5.690 -3.877 -11.631 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 2.354 -1.407 -2.524 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 12.347 -14.010 -27.366 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 -2.069 3.934 6.715 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 -3.142 6.228 -1.689 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 -2.127 2.626 22.023 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 -12.265 -4.853 16.989 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 2.608 2.174 -0.662 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 -12.643 -23.636 -7.404 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 17.637 8.788 -1.879 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 -2.319 -1.843 -4.862 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 -5.465 -14.729 -9.061 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 2.614 -8.240 -2.405 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 4.038 -6.735 1.077 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 -13.547 -8.243 -6.617 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 3.391 0.892 -3.325 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 -0.874 -4.872 1.597 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 5.849 14.768 -11.344 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 -4.591 -14.265 -5.758 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 -4.822 1.670 3.895 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 -0.067 14.420 -11.090 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 -2.627 -5.838 17.539 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 4.372 -5.746 4.725 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 13.239 -24.341 17.081 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 -4.733 13.096 11.022 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 1.996 -1.174 8.704 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 -5.479 1.822 19.232 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 -11.582 -3.408 16.738 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 1.401 -3.124 5.480 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 -11.577 -5.174 -1.632 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 -3.120 -4.174 2.650 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 5.025 2.931 -2.009 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 2.010 -5.077 19.080 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 -2.268 13.102 -14.218 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 -2.527 4.278 2.230 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 3.662 24.239 12.825 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 1.875 -4.365 1.053 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 0.307 3.033 9.009 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 2.497 11.011 -6.485 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 -1.781 14.464 -11.229 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 -1.142 -0.680 -1.049 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 -3.495 1.783 26.983 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 -23.981 14.692 3.108 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 3.989 -3.749 1.717 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 3.091 -8.799 -14.777 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 11.690 12.136 -2.514 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 4.627 0.828 -2.255 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 -1.570 -1.465 1.361 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 9.812 -3.731 0.090 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 -5.241 3.270 -0.638 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 -6.635 -7.253 4.695 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 -5.719 0.640 -0.662 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 -0.826 2.886 2.179 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 -21.055 -15.463 -11.431 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 10.516 14.588 -19.575 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 5.192 4.354 -0.835 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 -24.257 12.355 -10.877 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 -2.612 13.242 5.788 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 -3.635 -2.150 -7.134 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 -17.571 3.171 -3.818 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 7.391 -3.428 -18.048 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 5.496 -4.465 1.376 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 6.941 0.579 9.265 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 2.026 0.075 1.117 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 -2.216 -1.401 -0.508 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 2.036 -29.092 -1.475 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 2.318 7.668 -3.978 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 -3.231 1.105 -0.345 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 4.470 -5.076 -1.276 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 -2.317 -5.163 7.873 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 0.645 -4.646 5.150 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 8.921 -7.170 -3.236 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 -5.765 -17.029 -0.115 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 0.731 4.626 4.144 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 11.217 -6.605 15.262 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 -6.235 8.788 11.676 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 1.063 0.631 0.876 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 -20.154 -30.682 20.616 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 37.133 -8.560 -14.723 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 3.518 -1.424 -2.520 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 7.003 16.747 10.983 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 -10.122 -2.922 -7.410 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 -1.970 -1.549 7.388 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 -10.468 -3.612 13.985 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 -13.218 -1.724 18.841 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 0.419 3.121 -1.323 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 4.757 -8.567 14.905 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 -0.746 -2.533 -13.086 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 4.378 0.811 -8.552 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 8.677 0.608 6.978 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 13.901 -15.557 26.057 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 2.804 1.953 3.010 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 -1.777 10.876 -3.753 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 8.675 -2.528 -4.203 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 0.602 5.999 2.188 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 -4.452 -4.057 -6.789 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 11.178 21.334 21.890 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 5.342 0.951 -6.090 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 -15.016 3.462 -7.937 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 9.129 2.019 -4.129 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 0.382 -2.070 -3.404 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 7.332 -6.531 1.909 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 -2.583 -3.436 4.442 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 -4.772 0.636 -1.480 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 -0.917 8.951 -4.845 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 9.202 21.530 10.970 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 2.692 -1.512 4.580 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 19.261 0.744 -15.119 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 -10.435 -0.398 -8.683 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 -3.637 -2.184 -3.399 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 11.653 0.530 -13.297 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 -8.162 5.931 19.253 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 5.545 -5.233 1.784 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 11.089 -5.944 9.141 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 -7.020 -2.891 -4.507 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 1.212 2.680 3.710 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 1.586 -12.835 5.233 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 -11.614 3.120 11.311 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 -3.209 -3.224 -0.464 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 2.301 -11.006 23.565 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 -6.254 1.557 -13.625 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 -0.455 1.197 -4.393 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 -1.256 15.790 -1.280 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 5.431 -15.648 0.179 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 2.822 3.095 -2.542 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 12.855 -6.112 0.208 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 4.950 8.538 -5.920 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 1.414 2.324 -3.069 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 5.275 -2.403 -8.928 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 1.112 -15.281 -18.864 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 1.104 -5.906 -0.387 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 5.837 4.127 11.667 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 12.639 -1.251 -12.482 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 -2.203 0.704 -0.770 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 -1.224 -2.342 4.329 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 -15.453 -19.698 0.307 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 4.711 -6.022 1.877 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 -25.330 -10.848 -1.842 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 9.297 -18.398 1.145 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 -1.255 2.224 0.374 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 3.842 4.762 -22.091 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 50.936 8.039 -10.906 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 1.379 -5.958 -5.859 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 -20.019 6.463 -4.629 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 -15.485 -14.176 9.129 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 -2.862 -2.255 4.026 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 26.747 -14.801 9.796 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 15.684 -0.678 -25.897 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 2.731 6.549 -3.226 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 48.997 25.982 -21.610 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 -19.991 4.639 -4.679 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 -1.803 -4.645 6.363 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 -4.196 -2.649 1.691 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 -11.618 7.515 -13.945 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 9.790 2.208 2.095 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 9.530 -1.054 -4.638 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 -2.582 0.764 -5.403 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 -2.935 -2.724 -5.985 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 -14.141 -2.225 -19.532 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 13.488 -2.025 0.327 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 4.159 7.221 1.063 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 16.197 -11.877 -7.734 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 21.040 15.330 8.185 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 -3.254 -0.629 -1.220 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 -4.846 -0.319 2.278 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 10.552 4.270 -0.903 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 3.231 3.905 -3.394 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 -7.479 5.512 -16.393 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 -19.220 -14.474 -0.946 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 -0.227 2.333 -3.738 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 -10.877 7.630 -13.478 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 -2.951 -11.543 -0.769 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 -3.395 7.980 5.719 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 -6.658 27.366 -26.082 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 5.551 -21.091 0.969 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 -7.612 1.068 -2.282 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 -20.580 15.779 6.593 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 -28.901 3.508 -2.758 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 -2.676 -0.454 -7.386 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 2.534 1.109 1.201 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 4.950 1.389 -16.097 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 0.497 2.347 3.083 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 19.638 -22.555 -8.519 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 4.831 -4.170 2.916 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 -2.880 3.000 -4.809 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 16.690 -9.940 10.039 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 -9.511 -8.281 10.420 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 0.802 6.683 3.952 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 -1.871 12.193 0.410 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 20.881 -13.144 0.957 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 1.463 2.791 -2.733 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 9.904 0.416 7.795 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 10.618 11.838 -10.353 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 7.680 3.339 6.710 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 7.485 -3.095 8.326 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 -4.105 5.014 -7.372 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 -0.827 -0.921 4.420 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 -1.046 -17.659 7.894 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 -10.482 10.763 -0.788 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 -0.768 -1.862 -1.643 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 -10.263 2.121 3.958 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 9.518 -2.205 6.052 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 -7.288 4.017 5.562 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 -15.651 -1.593 -1.039 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 -8.476 -2.578 15.232 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 -4.537 7.861 -3.942 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 -7.619 6.460 -13.574 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 -2.327 -1.261 -5.531 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 2.878 -2.012 2.155 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 6.883 10.432 4.706 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 6.552 6.839 3.883 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 4.814 1.467 -2.875 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 1.897 3.393 -9.069 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 -10.459 -2.227 9.426 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 5.849 -1.402 7.054 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 -0.466 -2.945 -5.722 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 15.069 9.946 7.044 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 0.957 2.466 -6.798 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 12.564 11.281 -14.361 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 6.130 -12.904 4.084 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 -5.418 -3.338 1.923 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 -3.910 -7.850 -0.458 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 -4.081 -7.230 0.017 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 -0.989 -0.595 2.766 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 -5.342 8.471 -3.004 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 1.885 -6.088 16.743 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 3.927 0.647 1.615 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 6.958 4.751 6.043 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 7.004 -3.141 -4.693 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 -3.905 8.169 2.616 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 8.171 -29.670 -3.139 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 17.340 -4.460 -6.944 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 -3.386 -0.334 4.179 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 -3.311 -2.348 5.959 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 11.108 -17.812 8.079 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 -2.541 -2.331 3.887 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 2.753 6.037 21.071 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 -17.706 -15.679 -7.213 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 -1.828 2.238 -0.883 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 22.195 27.687 8.729 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 10.563 33.238 13.060 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 -1.614 5.827 10.972 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 15.535 -14.701 3.519 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 -22.700 -11.749 0.444 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 -1.157 -3.853 0.975 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 -9.737 -16.698 11.876 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 -14.881 10.198 2.395 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 2.174 -6.613 7.974 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 -19.911 -28.965 18.201 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 -3.479 -5.334 -3.709 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 0.999 -0.077 -4.315 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 -7.790 2.263 -2.750 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 -1.394 -12.947 -4.788 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 5.434 2.405 -6.986 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 7.187 7.235 -9.277 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 5.324 4.461 -8.736 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 6.474 3.417 0.939 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 17.632 4.769 -20.383 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 3.229 -2.671 -3.287 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 -0.911 1.485 -2.444 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 -12.344 15.339 1.111 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 11.445 -6.160 17.331 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 0.229 2.808 -1.747 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 -3.191 -3.453 15.090 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 -10.164 -21.134 -3.921 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 3.039 -7.677 5.941 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 -5.638 7.701 5.104 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 -15.915 -0.552 3.808 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 -4.334 2.502 -0.503 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 -6.488 -2.435 0.337 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 -11.032 -6.010 2.690 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 8.294 -4.325 5.383 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 8.430 2.803 3.251 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 15.546 3.342 -9.799 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 0.425 1.670 2.753 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 0.814 -0.128 -0.787 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 1.293 0.362 2.248 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 -7.754 0.680 5.317 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 -5.085 3.183 17.118 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 -8.207 2.028 -5.411 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 -0.346 -0.908 -1.089 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 10.023 -4.159 -9.670 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 -5.891 2.429 -3.780 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 -6.863 0.174 -2.630 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 -7.886 5.866 -1.430 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 -7.138 -18.054 -3.922 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 4.034 -0.946 -2.774 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 11.546 -14.522 3.792 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 9.778 -13.833 -8.088 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 -1.524 6.191 3.904 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 13.274 17.497 -3.347 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 -17.086 -2.335 7.324 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 -0.282 -2.771 -0.876 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 12.114 -16.006 4.201 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 -30.046 4.435 3.396 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 -1.753 3.976 3.397 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 -16.384 -6.405 10.748 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 -0.907 9.667 6.685 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 -2.873 2.872 0.493 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 1.560 3.282 -2.633 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 -2.531 -2.482 -0.887 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 -2.443 -3.901 -6.699 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 -5.579 -14.942 -18.561 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 13.004 9.648 21.420 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 4.430 3.446 1.952 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 0.001 -16.665 17.517 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 4.106 11.177 -5.420 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 -2.583 2.087 -2.108 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 -20.118 -20.700 40.412 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 -14.227 29.215 -3.750 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 5.375 6.853 3.338 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 10.432 1.942 10.609 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 12.431 -4.464 15.572 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 0.563 4.644 -6.959 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 9.830 -15.824 -18.702 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 -4.332 17.216 1.697 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 -2.475 -4.624 2.257 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 6.860 -31.728 -6.788 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 -32.376 -5.906 -5.374 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 4.175 -1.633 -2.921 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 3.166 -1.490 -3.816 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 -0.846 5.154 -0.645 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 -4.013 -1.615 -6.167 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 -12.665 -3.340 -8.345 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 1.316 0.100 -7.810 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 4.618 3.039 -5.393 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 -20.428 -11.123 6.973 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 -15.438 14.765 -10.695 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 2.047 10.096 0.884 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 14.443 12.817 -7.145 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 -4.553 13.349 8.656 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 -4.829 -5.525 1.558 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 3.525 -0.610 -8.049 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 -2.855 5.162 0.765 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 5.383 -0.143 1.477 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 -19.248 5.547 11.509 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 8.300 -19.775 -7.326 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 -0.174 0.227 -2.760 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 8.438 3.705 -9.120 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 -5.443 3.356 8.103 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 -3.528 2.856 -2.507 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 -10.717 -1.984 -18.034 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 22.837 -5.341 -10.069 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 3.954 -3.819 1.755 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 -3.246 -5.337 4.357 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 0.801 -13.495 2.563 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 -2.784 6.228 1.524 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 -24.353 7.699 -4.841 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 -17.622 7.709 -11.823 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 -3.017 3.391 -4.594 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 -9.557 -3.782 7.396 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 3.909 -18.370 11.438 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 -1.125 2.033 -2.808 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 3.893 -5.397 -4.153 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 6.279 7.646 9.672 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 -2.450 -3.147 -5.482 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 1.536 -4.152 27.308 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 -11.933 -6.992 -5.070 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 5.522 -2.178 1.253 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 -20.862 -16.562 -3.039 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 1.348 -17.491 -15.320 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 -0.135 -6.122 2.890 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 2.391 -3.623 8.771 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 9.286 -7.167 -2.482 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 -1.890 4.971 -3.385 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 -3.466 3.863 10.707 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 -10.001 18.278 -8.387 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 -0.127 -2.562 -6.109 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 1.447 -8.315 -16.011 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 -2.232 -0.127 -1.359 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 0.039 -3.124 4.001 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 0.002 -9.545 10.825 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 -9.794 12.271 12.691 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 -1.773 2.868 -0.639 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 -4.191 30.390 -10.178 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 -0.102 8.997 18.173 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 -1.574 -1.179 -2.073 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 -3.646 -4.494 6.932 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 -1.994 7.108 0.514 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 5.265 1.452 -4.561 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 11.590 -16.518 21.822 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 8.901 -7.414 -12.091 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 -4.540 -4.987 0.155 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 -3.341 19.248 11.747 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 6.464 11.405 5.397 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 -3.658 -0.006 8.037 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 -8.193 10.739 -6.084 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 16.274 2.763 5.068 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 1.617 6.792 0.364 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 4.467 5.904 6.543 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 -9.739 4.565 -5.217 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 1.534 2.279 7.641 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 9.127 -3.023 0.876 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 6.006 -7.736 6.796 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 3.480 -3.953 -4.631 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 6.681 -14.286 -3.234 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 14.624 -11.329 -5.228 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 -1.008 4.625 0.650 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 -14.105 -19.041 2.744 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 0.028 5.204 -21.914 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 8.289 -2.079 0.382 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 1.453 3.641 13.651 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 9.051 -9.660 18.722 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 3.566 -0.011 -7.032 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 -23.175 -7.930 -3.177 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 3.799 6.213 -0.586 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 -0.817 0.841 -1.834 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 -7.376 -0.991 -10.823 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 0.565 1.265 -0.913 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 -3.031 -4.339 4.481 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 -2.657 -14.928 9.179 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 6.736 -2.028 2.827 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 -2.201 -0.698 11.853 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 3.960 9.790 25.281 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 -13.022 -4.185 -13.808 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 -2.137 0.642 6.368 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 4.131 -10.888 13.287 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 9.605 3.976 2.620 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 1.088 1.365 0.568 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 -10.058 2.502 -10.324 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 5.723 2.196 7.897 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 -0.700 -1.185 -3.393 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 -0.368 0.206 0.733 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 -1.738 -7.691 -11.896 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 -0.926 5.183 -0.570 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 20.882 -11.688 1.621 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 -3.955 22.024 -7.954 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 -1.392 0.956 6.870 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 0.330 -13.905 10.158 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 -12.877 -11.325 -24.883 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 -3.253 4.408 0.023 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 -3.438 3.802 -14.899 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 -1.167 2.114 6.126 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 3.877 8.306 5.531 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 3.769 0.539 -4.824 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 -19.537 -4.465 -6.551 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 -1.558 -2.383 5.278 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 -6.600 4.804 22.149 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 -6.504 -4.479 8.313 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 -0.669 4.057 6.039 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 -15.722 -4.673 1.179 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 -7.824 18.847 -4.587 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 -2.280 -0.387 -1.524 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 -6.783 -10.687 3.832 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 -4.561 -2.411 -17.445 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 -4.918 4.632 7.286 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 -0.813 -6.049 -33.372 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 -4.790 6.330 11.671 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 -1.587 -2.387 -1.072 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 -9.096 -6.428 7.617 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 -4.220 -3.831 2.650 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 3.197 -5.094 -3.319 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 -2.061 -10.522 -6.545 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 0.413 2.349 -3.843 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 -1.791 -5.364 2.665 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 6.608 -15.928 -1.217 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 9.811 6.256 3.299 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 0.781 3.688 -2.762 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 -9.546 5.571 -12.154 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 -9.101 -2.397 4.001 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 -0.172 -5.297 1.165 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 -1.767 3.092 9.740 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 -5.626 -15.533 12.170 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 -2.082 -2.464 -0.402 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 3.891 1.045 -6.424 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 -8.286 -4.183 -5.214 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 6.156 -2.858 2.124 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 -1.013 -18.966 -13.591 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 -0.654 -11.215 22.758 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 -0.419 7.421 2.985 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 -28.321 1.957 0.799 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 -12.382 -8.206 -4.639 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 -6.073 10.236 -3.460 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 -5.558 14.768 -3.922 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 21.347 -27.983 -0.313 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 1.580 0.122 2.488 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 29.244 -9.536 -5.083 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 -1.264 6.146 1.331 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 -1.757 -3.016 -1.384 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 23.638 -1.578 11.088 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 -2.419 4.642 -3.997 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 -0.025 -3.795 -4.422 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 11.859 6.541 -15.738 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 -8.155 10.631 -14.599 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 1.927 -4.175 -1.015 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 5.594 20.076 -11.299 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 -15.755 2.818 -12.306 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 4.139 0.797 1.753 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 8.816 -1.342 9.617 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 0.800 -5.549 1.693 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 -3.572 3.762 -0.852 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 7.095 10.583 9.681 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 -23.552 -5.838 8.938 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 2.065 1.534 -0.089 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 0.275 -22.415 -6.009 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 -3.547 -0.598 7.351 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 -3.552 -3.027 -3.169 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 -10.025 -11.255 0.415 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 6.511 -4.292 -1.784 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 4.888 -7.890 -5.292 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 5.047 -5.439 -1.987 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 -13.975 -9.159 -7.677 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 -3.626 -2.562 -4.121 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 -4.110 -2.299 -6.005 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 17.947 -5.985 1.302 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 -7.964 0.081 -9.746 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 -9.035 21.002 -5.371 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 1.586 6.813 -18.042 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 -2.623 -1.928 -1.440 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 -6.558 -5.559 1.801 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 -5.939 -4.247 9.245 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 -2.553 -0.116 7.780 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 -12.116 3.650 -0.441 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 -12.555 4.508 1.507 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 -2.812 -4.954 2.071 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 -4.488 -1.200 -2.143 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 -15.564 8.325 -2.783 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 1.267 -0.386 1.458 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 -4.940 4.637 15.159 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 12.239 -5.974 -30.438 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 -0.171 -5.459 -5.467 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 -15.476 -3.999 -22.543 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 13.058 -8.905 -15.973 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 2.238 4.630 -2.574 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 -5.806 16.788 -2.049 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 22.771 -10.251 -11.530 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 -0.753 -0.911 3.551 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 -7.450 5.068 -0.211 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 4.170 -0.971 7.930 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 5.433 -4.140 -0.361 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 -23.741 2.506 -20.515 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 -2.155 5.292 -8.923 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 -0.015 5.649 -0.756 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 7.936 9.658 -10.355 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 -15.422 7.575 8.976 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 -4.018 -3.302 4.404 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 23.649 12.991 3.634 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 -16.879 -23.389 23.574 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 -5.806 -0.750 -1.082 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 -19.944 -2.075 12.618 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 14.825 4.288 -18.774 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 3.702 5.459 -2.483 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 -26.953 11.766 2.228 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 -8.228 9.045 1.502 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 0.580 -1.245 7.276 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 -2.067 -12.956 -17.436 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 -21.600 -7.784 -5.129 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 5.504 4.496 -0.977 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 6.358 10.266 -0.005 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 4.268 9.286 12.608 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 2.319 -2.906 -0.793 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 10.670 4.096 -9.378 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 -6.506 -8.729 6.995 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 -1.483 3.189 -2.746 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 1.782 6.672 -18.930 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 -13.020 17.852 24.950 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 1.897 -0.051 5.204 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 -6.097 12.647 -22.579 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 -9.532 6.453 20.156 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 6.770 -3.371 0.586 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 2.930 -2.807 1.365 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 6.950 -1.266 1.018 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 -3.475 -7.469 -1.064 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 -11.675 -8.471 6.026 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 6.178 -9.826 11.388 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 0.574 -1.775 2.368 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 15.338 -22.172 -3.958 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 -0.211 -13.837 20.182 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 -4.184 0.666 3.564 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 -2.007 -4.213 3.846 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 -3.729 7.484 12.811 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 1.668 7.969 2.867 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 -0.144 16.315 -2.251 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 5.140 -13.020 8.519 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 -4.144 -0.024 -0.951 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 -6.648 -5.004 -4.910 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 -6.262 -0.432 0.232 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 -1.913 -3.339 -3.394 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 10.966 1.724 15.698 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 -2.106 -8.238 14.288 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 -0.352 0.945 7.337 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 9.484 -2.928 5.573 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 -6.939 -2.759 -6.529 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 0.438 7.337 -2.231 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 5.757 15.544 -13.725 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 -0.616 9.279 4.049 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 1.550 3.198 2.917 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 12.447 8.967 13.860 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 -7.895 9.525 -3.782 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 -5.361 0.116 3.293 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 -2.425 0.199 10.382 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 -19.956 28.901 -11.967 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 -2.654 3.188 1.399 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 -2.552 9.660 -13.565 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 -1.278 18.056 14.055 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 -2.986 -3.110 5.003 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 -6.637 5.916 -2.532 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 -4.821 8.309 -11.420 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 2.079 -0.875 -0.414 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 6.353 -15.663 14.006 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 -0.139 -20.865 -5.784 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 -6.985 3.052 -5.775 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 11.967 0.627 -0.819 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 -1.935 -0.497 4.278 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 2.335 2.580 -1.634 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 4.755 5.503 11.047 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 -4.107 2.575 -7.990 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 -1.677 6.763 -2.354 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 -4.971 -4.858 -9.908 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 6.020 1.473 7.698 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 3.525 -5.344 -2.143 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 2.882 -13.502 -18.669 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 -4.615 7.970 -4.147 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 -3.851 5.463 3.112 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 0.015 4.853 4.637 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 -22.074 5.048 -11.810 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 -1.370 4.187 -3.475 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 0.706 -7.949 -19.334 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 16.096 0.471 23.105 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 0.376 -2.491 -4.807 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 -1.201 6.593 -0.343 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 0.276 -10.779 -5.777 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 10.465 -0.095 1.709 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 -0.978 7.148 9.300 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 4.393 6.389 -8.158 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 7.340 -3.944 0.232 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 4.722 7.611 2.111 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 8.949 -9.019 -18.030 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 -2.896 -4.071 2.732 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 10.519 -35.346 -16.358 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 -1.327 -9.936 -1.635 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 0.830 5.200 -0.783 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 14.711 -16.246 -7.306 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 0.877 -0.577 -4.746 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 0.530 -4.850 6.874 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 -2.161 14.480 26.260 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 6.455 27.380 -29.683 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 -1.430 -11.070 2.149 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 -13.101 -0.046 -8.490 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 -9.698 -10.677 13.080 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 -0.684 3.676 1.971 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 -11.679 -11.923 1.036 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 0.269 4.883 -0.488 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 -2.449 -4.127 1.463 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 -1.527 -17.602 6.633 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 6.139 18.678 1.120 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 3.292 1.676 -4.832 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 -3.738 -4.023 -10.660 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 2.447 -8.917 4.564 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 0.216 5.734 0.830 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 17.275 2.820 -6.135 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 -8.550 -9.813 -16.551 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 -1.578 3.162 -1.092 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 -22.855 15.466 3.466 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 2.881 7.346 2.635 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 0.844 -2.223 9.463 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 9.373 1.503 -1.850 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 24.302 0.694 17.841 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 -3.964 0.003 2.217 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 -8.004 -9.747 -6.895 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 -9.994 -9.764 -5.505 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 2.402 3.190 5.600 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 3.834 2.522 -12.390 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 -1.373 -11.200 -0.946 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 0.276 -4.093 -7.126 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 3.658 -7.925 -12.452 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 -0.048 1.321 -11.242 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 -0.547 -1.589 -8.159 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 -6.967 8.154 -5.581 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 -10.295 -9.468 -1.399 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 -6.489 2.094 -6.732 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 -17.570 10.759 3.953 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 -12.022 7.570 -2.933 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 3.098 3.360 -9.607 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 5.632 2.268 -9.142 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 -8.402 21.693 -5.601 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 3.686 -2.915 -5.612 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 21.119 -17.539 -19.219 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 -16.935 5.258 24.240 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 -6.872 -2.419 -4.140 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 1.141 5.910 2.429 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 -8.479 6.765 -7.083 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 2.298 -3.779 5.744 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 -21.686 9.425 -4.473 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 -7.517 -1.457 -0.029 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 -1.541 -2.648 7.242 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 -11.197 -1.060 -23.576 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 -13.428 -9.361 9.750 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 1.639 1.558 -0.093 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 25.730 -6.325 -5.858 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 2.179 0.191 25.517 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 10.342 3.895 0.194 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 6.704 7.528 7.078 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 11.575 -11.386 7.574 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 5.627 -0.371 -2.728 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 -10.856 -38.270 11.810 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 0.644 6.265 -2.336 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 -4.696 0.098 -1.026 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 5.919 5.140 5.932 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 0.056 -1.883 -14.194 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 0.757 -1.149 -2.636 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 16.418 -25.246 6.071 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 15.337 -9.869 -0.654 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 -7.289 4.534 -3.844 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 7.415 -5.997 -20.603 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 -24.831 -11.501 -0.921 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 -3.366 5.823 -1.097 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 5.849 -4.009 20.119 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 -6.883 -0.650 -8.904 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 -1.001 0.680 -2.987 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 -8.023 0.975 -11.139 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 16.491 -6.002 3.146 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 1.601 -4.264 2.106 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 20.114 -14.351 -23.529 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 12.285 -7.395 5.030 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 1.014 -5.280 5.400 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 10.950 -7.209 11.266 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 17.528 -15.188 20.061 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 -0.905 4.969 5.346 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 -10.328 10.196 8.937 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 12.734 10.027 8.208 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 -1.359 -3.112 -0.939 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 -7.380 7.745 -17.929 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 -15.095 10.003 -2.686 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 -0.433 6.610 2.644 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 -19.332 2.433 -30.638 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 7.132 2.588 -2.818 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 -3.464 -4.134 -1.722 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 -2.875 -3.989 -2.013 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 -1.151 -4.754 -3.602 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 1.277 1.002 -5.635 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 19.452 7.356 -19.328 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 -8.149 -2.126 1.370 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 -2.794 -6.794 -3.873 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 15.162 15.381 -9.661 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 11.391 4.097 -24.200 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 6.887 0.380 5.812 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 6.407 10.191 -1.014 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 7.568 -18.860 12.914 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 0.721 3.029 -3.138 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 7.554 -0.525 -5.390 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 13.271 -8.112 -20.977 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 -4.683 -0.932 -2.389 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 1.747 6.607 3.206 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 -4.579 -1.235 -2.968 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 -5.265 0.537 -1.688 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 -6.117 -14.072 10.034 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 -5.022 -6.521 -14.152 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 5.149 7.875 3.432 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 -9.398 -14.498 -1.732 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 -7.473 -11.138 -2.441 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 4.052 -6.525 -0.006 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 12.750 -4.478 5.995 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 1.834 -1.543 -6.976 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 -0.588 0.482 5.553 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 -7.646 17.978 0.907 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 8.909 -2.410 -0.043 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -8.016 -0.250 4.895 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 -20.170 7.681 4.996 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 -5.600 -13.156 0.953 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 -1.601 -0.130 5.755 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 0.218 13.370 6.369 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 -16.647 -8.153 14.775 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 4.238 0.340 -1.289 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 -5.670 21.800 3.396 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 14.844 2.781 5.270 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 4.976 -7.034 -2.912 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 18.737 46.668 -13.886 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 -7.385 -14.626 3.620 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 -7.406 -3.182 -2.030 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 -5.558 -11.197 -21.317 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 -9.602 6.753 12.407 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 -2.643 2.732 -5.837 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 5.282 -19.027 -2.776 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 -8.796 5.694 5.000 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 -6.877 -1.562 0.822 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 -5.516 32.333 -3.880 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 -19.041 -4.603 -2.620 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 2.087 -1.578 -2.620 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 -4.806 -6.797 2.837 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 14.342 -12.273 2.501 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 6.685 7.364 -1.127 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 13.831 13.777 -18.799 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 9.373 18.374 -6.492 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 1.298 -2.043 2.095 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 -6.552 5.530 15.362 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 -6.429 6.594 4.447 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 -4.586 5.400 -4.699 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 15.224 -0.421 14.201 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 -5.598 -12.077 5.077 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 0.292 -0.377 7.783 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 0.977 -1.618 8.045 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 2.137 -1.519 7.777 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 2.996 5.862 7.367 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 2.348 10.063 1.738 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 2.885 6.891 5.434 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 -3.113 2.407 1.367 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 -5.271 10.888 -3.372 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 -7.398 1.528 10.732 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 1.712 -7.086 6.345 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 -4.758 -6.850 5.813 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 3.127 -6.623 7.153 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 -3.720 -2.184 0.573 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 9.703 -8.184 -18.625 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 -10.701 5.871 16.162 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 0.965 -0.677 0.283 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 -7.369 -14.294 7.470 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 -4.555 13.836 8.019 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 0.800 3.324 -4.105 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 8.640 0.009 1.800 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 6.218 7.130 -11.729 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 0.949 9.049 7.947 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 24.548 -5.958 -5.815 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 16.196 0.261 4.271 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 -0.183 0.488 4.160 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 1.380 20.116 6.059 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 -6.538 20.903 5.512 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 -5.898 -3.044 2.024 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 5.141 2.293 12.028 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 -4.484 16.726 5.672 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 -2.238 -4.086 -0.423 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 -10.718 14.952 -14.391 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 9.053 -7.298 14.598 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 -5.519 11.291 3.953 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 11.185 -0.851 -24.993 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 -14.534 19.088 -10.997 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 -1.462 2.319 -2.181 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 -11.211 -8.491 -15.395 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 -19.301 -14.292 -12.718 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 -0.722 -2.523 1.846 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 -29.141 7.178 -8.878 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 1.780 -8.363 -5.119 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 -5.225 3.038 -1.046 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 7.292 8.619 6.619 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 12.451 3.546 -20.710 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 4.926 0.672 -1.132 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 8.566 -8.474 11.613 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 -2.655 -4.757 -1.943 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 5.215 4.877 2.529 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 21.277 12.487 -19.726 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 -3.437 4.392 5.887 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 -1.116 3.846 -2.852 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 5.402 -3.831 -25.848 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 5.919 -19.967 10.301 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 1.893 1.949 1.610 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 4.970 5.950 -4.414 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 -2.657 1.261 3.565 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 1.707 -1.504 2.108 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 -0.242 2.395 2.132 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 -5.471 -24.096 -6.118 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 -9.560 1.994 -2.843 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 -9.570 -12.486 -14.354 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 3.145 -17.406 13.123 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 0.502 -3.211 -4.823 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 5.861 5.219 3.529 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 15.030 9.932 8.250 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 -6.303 2.106 -0.375 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 -6.409 5.171 -6.046 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 -9.264 5.005 8.236 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 -0.722 -11.665 -5.039 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 -2.041 -2.501 -2.045 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 2.268 2.013 1.826 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 2.718 10.480 3.731 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 4.168 16.199 -5.663 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 2.644 13.930 -0.355 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 7.302 5.375 -2.241 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 10.605 13.024 1.372 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 10.183 1.986 -21.156 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 -3.005 0.900 8.001 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 -3.426 11.089 -18.641 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 -12.171 -18.080 -1.892 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 -1.875 -5.728 -5.809 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 -10.083 13.715 -11.866 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 0.235 -10.653 -2.523 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 4.799 -2.839 4.121 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 -15.532 -14.939 -14.569 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 -8.770 -6.429 -3.238 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 2.258 13.038 6.402 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 -3.427 6.257 -3.355 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 -6.699 7.849 -20.973 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 -1.084 -3.419 0.829 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 -8.996 -6.618 -0.797 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 -0.917 -3.339 -0.142 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 -0.323 -6.438 -2.831 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 -1.618 -15.003 -7.527 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 2.387 -25.323 -7.672 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 -4.831 1.108 -2.588 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 -20.882 -3.659 25.347 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 26.980 8.560 3.447 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 0.402 0.160 -9.751 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 -2.563 -4.116 -10.538 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 -1.582 -17.543 -7.875 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 4.991 -2.992 -0.815 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 -4.740 -6.413 -16.649 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 10.127 0.341 17.832 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 -2.658 4.681 5.300 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 8.900 -5.223 18.260 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 -8.395 -12.574 -1.086 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 1.953 5.141 -0.484 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 4.871 2.752 -0.817 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 -24.737 31.979 -0.770 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 2.105 5.252 -1.537 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 4.855 12.604 8.598 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 -1.222 0.703 -11.480 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 3.636 3.200 -0.753 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 -0.713 2.695 -11.673 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 -3.049 -0.513 -14.364 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 4.886 -2.243 -1.699 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 3.774 5.202 -4.671 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 5.074 7.555 -2.289 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 -4.760 6.734 -3.038 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 -26.463 -9.557 -13.292 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 8.756 20.460 4.381 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 -2.275 3.935 0.030 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 22.730 -14.370 -6.627 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 -16.700 20.106 10.978 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 0.197 3.120 1.446 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 8.253 8.012 10.936 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 2.137 -9.829 5.395 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 7.186 3.339 0.979 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 -8.572 1.947 18.046 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 22.375 -23.540 5.668 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 3.479 -1.491 0.757 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 0.474 -10.862 3.973 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 -0.317 11.750 20.097 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 -3.095 -0.646 -4.507 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 10.908 0.839 2.728 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 1.945 -10.684 -9.125 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 7.092 -1.923 -1.909 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 5.138 -1.066 -2.960 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 8.409 -2.728 -1.083 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 -6.072 -6.711 2.245 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 4.328 0.944 9.252 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 -11.531 7.638 -6.070 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 1.825 9.814 2.980 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 -33.204 24.269 -21.239 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 -30.324 23.225 -13.493 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 1.064 -6.205 1.961 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 -4.793 1.394 -3.462 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 5.307 10.679 -10.276 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 5.076 8.161 -4.392 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 7.068 13.439 -14.512 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 -2.379 13.686 1.148 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 4.728 -4.305 -1.949 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 6.022 -23.434 -0.443 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 2.995 13.112 -4.205 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 -1.691 4.124 7.274 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 0.522 27.437 18.005 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 -0.427 1.885 6.255 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 1.035 2.647 -1.450 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 0.665 11.275 4.222 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 1.361 15.226 2.558 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 2.930 -3.593 0.693 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 2.913 11.370 7.522 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 1.635 7.216 -3.758 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 -5.607 -3.361 3.545 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 -8.608 -5.877 -6.654 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 -11.246 4.902 -21.132 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 -1.390 0.642 -0.275 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 20.364 -8.322 -4.654 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 12.020 4.289 -5.066 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 -2.745 -5.155 9.217 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 4.588 -3.293 9.936 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 -22.678 12.057 6.589 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 13.142 -0.355 -1.484 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 19.433 -7.779 -9.831 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 4.565 14.397 14.071 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 4.865 0.255 -8.603 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 7.828 1.821 22.404 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 -23.681 -9.009 15.343 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 -6.208 -3.784 4.801 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 7.680 2.865 4.961 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 -5.975 -12.602 17.733 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 0.020 11.710 2.589 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 -9.407 12.151 -0.198 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 -1.138 3.842 4.202 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 1.530 -4.264 0.015 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 15.497 16.669 12.938 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 2.151 -7.968 -11.764 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 1.006 2.804 0.364 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 1.235 13.873 23.608 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 3.518 11.899 18.179 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -0.317 2.682 -3.546 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 -4.975 20.921 -8.177 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 2.402 1.009 -4.968 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 2.822 -3.557 0.718 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 -3.194 4.537 -9.729 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 8.716 -8.431 -0.381 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 -10.000 -1.777 2.676 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 7.706 12.723 14.085 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 4.509 7.192 -9.589 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 2.970 0.085 -1.430 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 4.648 0.882 0.203 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 -3.572 2.985 0.535 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 4.874 -2.318 -9.113 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 -8.647 -13.030 -15.054 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 6.191 2.526 -9.719 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 1.556 0.075 2.895 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 13.236 -5.099 -6.960 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 -1.769 -3.355 7.792 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 2.252 -7.627 -5.515 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 -4.160 -3.174 -4.305 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 -0.588 -5.851 3.942 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 6.696 0.541 -2.660 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 6.525 -9.785 -15.761 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 -8.464 8.272 21.178 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 -7.393 -5.702 9.174 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 2.709 -2.816 22.794 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 -11.958 7.848 17.382 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 2.809 -2.579 2.693 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 18.408 0.814 -1.640 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 -19.745 7.841 16.305 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 -1.955 -1.169 -0.943 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 10.487 -1.417 -10.865 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 1.265 -4.964 -18.596 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 5.033 -5.620 7.148 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 0.063 -6.304 -11.875 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 -5.899 -6.671 -2.525 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 -2.524 4.702 0.934 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 12.749 -0.131 -22.127 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 0.627 -12.462 25.750 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 3.744 4.383 1.206 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 7.011 17.866 18.190 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 -12.420 8.648 -0.548 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 -0.701 2.437 2.143 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 -6.992 -0.558 -0.022 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 1.464 -0.565 10.601 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 0.748 0.655 -3.734 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 3.862 13.800 -3.811 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 10.294 0.488 -16.872 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 2.104 -4.917 2.809 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 0.597 11.568 6.018 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 1.147 -12.683 -1.111 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 -7.076 3.066 5.667 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 -4.246 6.155 5.201 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 -4.543 3.710 5.353 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 4.586 3.606 -5.337 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 -19.068 2.251 14.753 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 1.790 9.694 20.607 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 -0.900 -0.365 0.811 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 12.247 5.573 9.603 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 8.518 -2.485 -1.230 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 4.940 5.102 0.561 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 7.298 9.625 16.045 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 -6.848 5.233 -0.824 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 -3.782 1.967 2.414 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 2.891 6.676 -4.706 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 2.929 -19.203 4.367 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 -11.804 2.067 9.470 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 -13.861 3.329 1.812 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 -7.647 0.174 23.671 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 -1.758 1.014 -5.469 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 1.220 7.815 -31.254 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 0.220 -5.625 -13.167 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 0.051 -0.693 2.669 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 -24.232 -3.993 -3.268 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 -9.549 -5.935 -7.124 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 -0.689 4.206 3.273 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 -1.345 7.706 -0.120 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 -2.881 12.287 -3.437 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 1.071 1.102 -1.011 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 -7.252 -6.582 -6.315 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 6.873 0.483 -0.689 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 3.898 -2.644 0.419 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 -8.708 0.568 7.050 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 13.298 1.507 4.352 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 -5.516 3.135 -2.600 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 1.938 6.915 -5.189 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 -7.738 -0.552 1.982 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 -0.990 -1.952 0.071 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 -6.351 1.402 -0.293 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 -2.611 4.366 -1.767 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 -1.293 -6.610 0.546 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 -7.598 2.611 22.183 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 -19.063 6.389 -12.683 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 -6.927 -3.371 2.535 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 -0.656 -3.625 4.146 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 -7.117 -7.969 -2.088 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 -0.173 -2.506 4.147 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 5.066 6.700 15.250 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 3.817 3.603 12.522 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 -1.132 -3.502 0.004 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 24.006 -12.706 -20.213 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 -0.633 -17.965 14.959 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 -0.226 -0.609 -4.127 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 2.814 10.574 -24.139 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 -20.219 -6.644 20.201 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 0.886 -0.497 2.566 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 3.919 -4.036 -8.576 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 -16.523 -7.470 4.426 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 -1.090 -7.172 2.682 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 -1.060 -1.373 10.938 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 1.782 -9.355 -6.181 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 -2.612 -1.921 2.909 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 -5.593 -1.177 1.854 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 -2.211 -4.542 8.712 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 -1.389 -1.394 2.542 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 -2.169 -5.813 -5.727 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 3.415 14.283 6.235 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 3.247 4.304 5.614 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 -0.196 10.766 17.999 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 4.858 3.231 4.234 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 -1.720 3.518 -3.558 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 3.013 -30.151 22.484 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 7.415 9.096 3.754 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 -3.578 4.316 -0.156 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 -7.282 -2.042 6.651 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 7.253 4.035 3.553 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 -9.508 1.285 -1.460 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 -9.618 -8.162 -4.101 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 -5.632 3.171 8.197 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 -1.804 -7.377 -11.483 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 -10.622 -1.785 -4.747 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 -16.120 7.610 6.826 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 -3.025 0.490 0.450 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 -2.627 -18.541 24.008 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 -9.271 6.008 -9.855 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 -2.455 -2.272 -1.137 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 -14.050 2.727 5.821 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 2.807 -2.184 -3.391 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 -4.433 -0.780 -1.690 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 -10.851 4.824 1.971 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 -9.799 1.674 -5.438 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 5.613 0.788 3.018 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 -8.391 -12.323 7.800 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 8.462 -19.099 0.132 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 -4.324 -2.566 -2.873 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 -1.369 23.477 12.002 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 -31.006 5.564 -23.729 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 -1.367 -2.749 3.546 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 -10.550 -30.321 2.939 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 -4.532 -10.284 -0.049 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 2.040 2.093 -3.500 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 -1.221 3.628 -0.134 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 13.904 12.371 -17.981 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 -5.362 -1.463 0.695 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 -15.245 1.383 18.756 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 13.759 5.766 3.193 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 1.136 -3.403 1.087 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 24.904 -15.520 -9.852 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 20.708 -5.318 -6.385 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 3.689 -6.008 1.261 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 4.262 5.466 -11.918 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 -8.651 -16.548 -1.964 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 2.683 -1.395 2.656 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 2.018 -4.809 1.066 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 6.472 0.032 7.347 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 -3.434 0.455 -0.821 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 1.593 2.890 -1.141 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 11.658 0.422 -9.774 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 -4.289 -5.586 1.288 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 -5.472 -11.070 1.069 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 5.123 20.864 -18.063 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 11.425 1.739 -4.871 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 4.152 4.677 -7.457 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 6.362 -0.452 -0.973 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 -2.655 4.125 -2.088 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 4.107 -9.686 10.081 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 -14.445 1.315 -12.935 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 -5.349 -3.277 7.047 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 -3.757 3.169 4.326 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 -1.495 10.396 -0.122 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 -3.554 6.519 -1.871 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 10.098 -12.250 11.595 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 8.669 13.192 -0.415 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 0.656 0.638 7.431 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 9.170 -0.873 10.372 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 -5.222 -1.329 17.744 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 1.582 1.744 2.862 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 4.126 1.524 2.509 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 6.700 -1.254 0.973 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 2.229 1.058 -2.325 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 -1.353 12.233 -17.130 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 11.432 -10.371 8.986 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 7.047 -0.407 -2.933 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 5.083 -9.017 3.878 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 9.018 -5.895 1.087 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 -2.317 -0.384 0.342 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 21.081 -11.301 -9.572 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 -0.904 1.793 22.127 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 -6.361 -5.741 -6.298 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 -6.523 -6.851 -14.747 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 1.104 -9.231 11.817 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 3.351 -5.916 -1.312 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 2.751 1.272 4.016 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 10.022 -9.684 2.454 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 -2.833 -1.256 -0.407 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 10.840 7.322 -2.478 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 -2.273 -2.223 0.021 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 -3.518 1.660 -4.018 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 -17.739 -6.588 -5.562 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 6.402 0.189 14.400 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 -2.159 4.340 -1.942 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 -12.636 2.663 -1.437 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 -8.076 10.613 7.716 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 4.635 0.002 1.794 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 -3.251 10.247 10.094 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 7.390 -7.230 -2.731 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 2.189 0.007 7.955 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 -13.399 -8.310 -2.206 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 -12.670 20.639 -9.927 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 -1.144 -5.150 8.775 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 -5.435 -16.957 29.520 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 -8.877 7.507 11.186 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 3.127 -6.315 0.917 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 21.396 -18.548 1.669 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 5.750 -18.238 9.514 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 -5.208 -0.936 -8.748 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 -0.754 -8.056 -8.473 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 -22.849 -12.743 -17.499 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 -0.654 4.902 -0.962 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 7.109 6.412 3.661 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 0.329 -13.661 16.045 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 -4.189 3.798 -1.913 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 -12.046 4.074 -20.543 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 -5.698 22.783 7.775 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 -3.802 0.675 1.964 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 -9.011 -1.675 5.042 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 -6.745 6.732 0.530 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 7.352 -1.634 -0.425 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 13.864 -9.512 3.653 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 -3.623 0.856 9.042 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 0.340 1.522 -5.174 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 -5.709 -9.583 -20.101 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 0.359 -43.767 4.455 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 2.291 0.076 -1.809 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 1.931 -21.622 -2.440 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 -13.070 16.197 -0.195 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 -4.325 -0.810 -2.255 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 25.772 9.486 9.338 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 -7.799 -1.817 8.914 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 1.181 -1.997 2.760 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 -8.429 -14.016 -15.780 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 12.394 19.817 16.090 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 -6.520 5.090 -4.881 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 7.841 -21.047 -34.999 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 -6.626 -12.548 0.216 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 -0.535 1.146 -9.249 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 -6.629 -7.326 -7.813 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 -6.339 -19.506 -10.508 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 1.526 -0.696 -1.181 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 -13.062 -32.403 20.315 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 -13.784 -28.799 -8.526 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 0.132 4.916 9.145 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 16.002 29.080 31.175 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 5.246 -3.578 -4.995 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 9.797 -2.411 0.998 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 -4.035 -2.102 0.888 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 -13.973 10.719 24.438 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 1.218 0.507 -2.042 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 -7.097 2.798 -0.937 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 19.988 -7.564 -7.955 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 -1.409 -3.924 8.579 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 4.258 -8.427 17.592 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 0.943 -9.594 9.969 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 4.418 -2.347 -1.196 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 17.071 19.591 0.781 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 2.467 2.559 -13.139 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 1.187 -2.440 3.305 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 -16.871 10.597 -13.463 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 3.133 -11.847 5.717 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 -1.299 1.009 9.134 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 11.764 24.201 18.085 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 2.490 -3.171 -8.725 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 -6.039 7.449 6.344 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 0.193 4.179 -10.326 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 -5.759 18.948 13.186 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 -5.779 -2.465 5.186 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 9.697 13.862 -4.355 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 9.204 -17.112 8.028 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 -2.034 3.152 2.790 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 -16.222 -15.526 2.844 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 -11.338 11.973 6.152 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 -3.483 -4.781 4.531 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 -7.995 -1.526 5.681 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 17.667 24.179 11.247 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 -1.909 -1.440 0.853 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 7.760 7.092 9.957 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 0.976 -7.089 7.949 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 3.505 2.866 0.481 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 18.548 -5.802 4.589 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 -12.576 -8.650 -6.324 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 0.074 2.805 1.311 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 1.776 -7.168 9.444 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 -27.452 -9.887 -20.100 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 5.547 0.337 6.121 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 -7.603 17.546 9.707 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 -1.282 -8.275 -10.782 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 -1.808 -2.305 -6.146 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 -9.854 -2.918 -14.284 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 2.208 8.371 -2.461 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 -1.861 5.031 1.831 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 -3.276 -5.951 -3.293 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 6.562 4.284 0.262 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 0.690 -3.272 6.311 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 0.691 -18.417 -1.536 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 -5.077 5.065 -12.558 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 0.651 -2.537 -0.109 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 9.971 -4.015 -8.938 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 -1.643 9.983 1.065 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 2.002 2.134 3.566 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 -9.766 1.939 -4.810 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 -10.190 1.223 7.689 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 -3.841 0.208 -0.941 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 -2.915 -4.278 -16.752 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 2.862 -2.068 1.744 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 -1.084 0.653 -2.298 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 7.110 0.805 -1.503 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 8.521 5.042 -2.292 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 5.385 -6.906 -0.202 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 4.753 -2.786 -15.871 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 12.230 -10.751 3.816 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 -0.977 -0.434 4.799 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 19.798 9.617 24.882 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 5.247 7.310 -8.006 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 -3.142 -3.210 3.602 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 -13.236 23.721 -27.674 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 -14.112 8.026 -12.490 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 1.954 6.123 -0.919 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 -5.894 0.326 -5.133 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 4.510 -0.492 -1.718 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 -10.248 -4.596 2.493 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 -2.509 -7.906 -16.838 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 -16.740 25.522 -6.126 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 -4.183 4.571 -4.168 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 -4.796 -2.922 8.766 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 -15.578 13.543 -10.928 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 1.893 0.236 1.855 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 2.093 -25.133 1.458 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 4.051 -1.496 -0.690 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 2.886 -2.867 -1.770 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 5.111 -1.061 -5.926 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 16.060 30.899 -4.326 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 -2.126 -0.608 -2.787 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 -0.448 1.409 5.053 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 -4.155 -9.331 -0.768 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 1.358 -5.183 -2.834 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 -0.932 -20.386 -4.649 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 9.184 8.303 -0.920 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 -6.637 -1.644 6.417 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 -14.161 14.506 -13.177 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 3.478 5.200 -3.021 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 4.851 3.627 -4.057 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 5.484 11.985 -5.502 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 4.421 -14.017 1.149 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 2.137 -3.370 6.406 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 -0.702 -15.342 -9.349 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 -2.626 -4.934 19.966 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 3.312 3.680 0.581 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 2.337 -6.490 -0.878 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 5.168 6.862 3.690 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 1.636 0.495 3.050 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 -22.339 4.536 6.508 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 6.106 17.591 -11.683 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 -0.178 -1.143 7.311 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 1.671 -5.333 13.472 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 3.337 1.402 5.874 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 3.398 -5.350 -3.220 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 -22.520 -0.673 -7.385 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 -8.563 23.050 -7.187 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 0.265 -6.726 5.486 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 -0.891 -10.841 3.849 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 7.540 7.365 13.731 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 -2.058 -2.253 -1.448 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 -19.999 -1.295 19.145 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 30.082 5.325 13.678 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 -5.680 -2.604 2.012 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 -4.279 -2.198 0.744 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 2.859 -1.152 -1.454 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 -7.452 1.762 1.395 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 1.616 -13.683 5.042 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 12.080 -14.130 8.604 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 2.683 -2.291 -0.163 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 -10.867 1.642 4.623 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 5.398 5.665 -9.327 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 -3.252 1.859 -1.773 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 -19.056 -17.802 -19.729 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 1.678 -23.268 -5.409 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 -2.971 2.217 2.895 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 -1.150 2.790 2.707 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 4.912 -3.107 10.562 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 2.144 -1.314 -2.788 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 -3.057 8.956 -14.120 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 -2.074 5.784 7.580 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 -1.914 1.136 -4.712 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 6.746 -2.756 -4.587 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 -1.668 6.831 -1.388 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 -12.315 8.186 -2.895 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 3.558 -0.799 -34.381 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 -13.107 -23.043 15.829 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 -2.516 -4.295 -1.787 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 9.457 7.104 2.472 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 -1.046 8.511 6.365 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 -4.377 -1.503 -5.197 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 -6.355 -18.540 8.663 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 -14.809 -7.494 -23.725 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 0.665 -5.310 3.126 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 -9.814 -0.072 -1.476 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 -12.769 2.447 13.480 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 -2.806 2.248 3.984 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 -2.326 -1.765 8.421 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 -13.616 16.840 -0.329 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 5.971 -0.613 -2.372 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 -11.821 -3.178 -9.804 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 6.242 2.171 -3.831 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 -5.885 3.410 -0.879 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 -9.588 1.539 14.150 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 -23.288 11.347 2.531 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 -0.246 3.613 2.990 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 -13.453 -9.815 2.501 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 5.836 -15.511 7.262 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 -4.732 -1.610 -1.119 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 -18.072 5.312 -7.773 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 -8.342 -18.813 -2.209 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 0.006 -1.403 2.813 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 1.475 3.528 18.226 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 -9.588 9.033 -4.417 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 4.882 -1.961 1.282 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 3.416 -1.914 12.705 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 2.274 -2.683 3.277 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 -2.948 4.168 -0.408 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 0.770 -0.434 -2.411 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 -29.046 -20.260 19.119 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 7.001 -4.631 2.229 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 -5.238 -0.352 9.627 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 18.146 -14.432 -7.507 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 -2.622 2.821 2.611 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 -31.770 7.439 -5.636 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 -8.057 -16.787 8.577 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 -3.336 6.777 0.688 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 5.792 -16.761 -33.099 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 -44.128 -0.250 7.329 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 -3.825 1.352 -0.455 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 -20.302 8.028 -2.341 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 -5.340 4.495 -20.583 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 1.627 -0.098 -3.269 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 -0.430 0.765 -6.929 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 12.584 -13.295 -1.996 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 0.430 -6.942 4.444 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 4.290 11.953 3.353 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 -13.847 19.889 -11.880 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 2.093 -0.249 -3.412 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 13.265 0.659 -10.573 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 -8.905 -7.133 -1.626 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 -6.929 -1.692 0.856 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 -6.547 -8.800 -20.027 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 8.542 -0.050 -12.970 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 1.566 2.355 -6.643 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 -7.721 -14.801 17.037 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 2.748 -22.835 -5.160 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 8.298 2.546 2.611 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 6.459 -5.923 14.207 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 13.715 25.171 -14.125 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 1.794 0.457 -10.770 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 3.525 13.177 -18.525 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 -17.320 27.674 -1.297 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 3.532 8.385 -0.338 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 -5.411 -3.449 35.602 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 -3.736 22.805 0.593 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 -5.455 -3.042 2.898 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 -32.501 -8.182 8.376 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 -10.098 17.829 0.046 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 -1.504 2.810 1.985 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 2.221 0.839 -2.565 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 -1.856 -2.073 6.304 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 -0.920 1.652 6.885 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 7.368 8.169 16.617 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 -7.531 -12.201 -0.180 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 2.690 3.217 -2.013 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 6.665 7.803 10.012 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 -0.342 -2.703 3.632 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 1.967 -1.037 -1.432 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 12.365 -4.679 3.818 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 21.862 8.577 -1.746 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 3.202 2.869 4.062 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 8.671 17.508 -1.621 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 -7.387 11.889 -12.904 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 -3.379 4.522 1.066 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 -1.711 28.593 -3.969 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 12.607 3.049 17.835 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 2.772 0.906 2.058 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 20.398 0.728 -10.179 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 14.927 0.393 -5.808 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 0.054 -1.764 1.311 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 0.351 7.668 -5.160 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 1.034 -5.482 -8.173 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 4.935 1.949 -0.189 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 9.123 16.316 16.612 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 -0.033 23.785 -4.983 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 3.236 0.016 -0.508 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 14.627 -4.084 10.116 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 11.318 5.745 -9.105 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 2.273 -6.984 -9.652 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -12.214 25.862 -25.390 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 -4.474 -9.325 29.304 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 -1.319 2.536 -3.160 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 9.153 -0.564 2.576 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 -9.255 7.413 -19.625 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 -4.708 -0.793 0.794 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 -10.706 20.074 15.434 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 23.230 -3.405 12.479 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 4.749 -6.308 -2.098 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 -6.624 -20.527 8.772 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 12.054 3.898 -2.208 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 9.617 -0.455 -5.194 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 13.201 3.787 12.376 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 -3.253 8.983 -13.660 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 -3.289 -3.270 -8.240 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 -5.070 11.037 -5.336 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 -5.152 -22.551 11.236 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 -2.675 1.056 -0.665 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 5.271 -9.428 -0.247 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 2.389 -4.533 10.514 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 -2.706 3.705 5.418 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 22.544 8.863 8.360 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 -5.466 39.121 5.215 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 6.125 4.620 -0.140 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 5.822 6.222 -0.175 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 17.329 20.255 -2.747 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 -10.034 0.516 4.923 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 -1.075 -12.729 -5.410 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 -11.757 21.172 21.223 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 2.417 -4.978 2.034 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 -3.368 -17.054 9.657 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 -10.075 -23.501 3.381 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 -3.249 10.162 -0.618 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 8.953 3.504 9.020 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 -4.296 7.990 -3.635 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 -2.186 0.944 4.389 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 -12.887 9.300 7.839 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 -21.514 6.234 1.058 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 1.975 -4.009 5.618 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 5.246 26.674 18.503 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 -3.652 -6.726 12.065 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 -1.092 -4.022 4.740 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 -1.060 -1.985 4.741 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 6.586 11.409 -5.363 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 -4.863 -5.961 -4.049 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 -18.114 -0.780 12.998 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 -8.040 -28.730 -7.456 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 2.919 2.062 -2.331 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 8.606 -8.341 -3.213 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 13.439 3.659 9.257 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 4.355 -3.208 -0.442 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 -19.319 -5.068 -12.489 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 -0.512 -12.466 2.966 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 3.232 3.671 3.507 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 7.412 1.571 5.004 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 -2.614 2.536 5.830 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 1.811 -2.202 3.250 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 -9.869 -14.348 -18.255 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 -6.837 1.179 -29.174 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 -1.791 -1.310 -2.026 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 -3.564 2.533 -1.200 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 2.090 -7.477 -7.428 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 -3.078 1.911 3.576 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 -17.731 3.788 -4.583 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 -3.441 2.931 3.847 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 4.785 -9.662 -6.733 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 1.019 -14.628 -3.654 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 17.189 5.946 -11.743 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 1.166 0.449 3.094 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 2.197 2.696 9.252 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 -7.477 -5.224 -3.376 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 0.671 2.905 1.687 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 -3.466 10.533 0.031 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 7.110 1.401 -0.183 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 -4.577 3.890 -6.224 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 -16.757 -5.159 -14.351 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 -12.053 13.816 -0.238 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 3.650 2.449 0.794 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 10.618 0.827 9.422 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 -0.179 -2.828 20.249 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 -0.110 -3.982 1.515 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 -13.290 -10.944 -1.671 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 -2.666 3.309 6.858 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 -0.557 -0.956 4.031 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 -11.989 -4.704 4.788 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 10.151 -1.827 2.764 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 -7.746 -8.863 1.055 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 -25.271 -6.764 5.327 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 -5.054 4.044 -14.578 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 1.609 8.092 -3.555 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 12.847 26.036 -5.836 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 -5.992 13.374 -3.747 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 -0.434 6.146 -3.747 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 -0.799 3.213 -4.507 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 -2.478 13.185 -13.080 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 -2.894 -1.673 -4.819 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 0.492 0.961 -5.010 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 1.793 -4.063 17.193 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 0.414 -1.577 -1.520 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 -16.829 1.258 8.142 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 -2.604 -0.900 -14.187 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 -9.310 4.770 4.598 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 -10.387 -2.716 4.022 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 -18.310 -8.777 14.590 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 -8.288 1.475 -2.070 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 -6.857 1.962 0.131 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 -13.272 -6.317 -5.678 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 -6.387 -8.762 0.326 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 -3.103 17.300 5.036 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 3.258 -0.751 -3.985 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 0.208 -1.066 1.616 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 -14.436 -16.778 -4.201 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 -12.189 -0.319 4.706 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 4.304 -2.111 4.315 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 10.060 -7.158 4.020 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 21.939 -5.296 3.001 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 3.211 1.139 4.052 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 17.078 4.412 4.912 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 -2.018 2.403 4.892 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 -4.644 -1.890 -7.484 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 6.088 11.806 -14.724 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 -19.706 0.203 13.850 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 10.504 0.057 -0.691 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 -25.931 -15.074 0.787 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 0.667 -11.872 12.819 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 6.003 0.406 -3.672 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 17.685 14.887 -2.789 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 -14.910 -21.169 -6.589 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 1.538 0.266 4.458 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 1.605 15.089 8.201 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 2.630 -7.963 17.020 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 2.687 -7.458 -0.798 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 17.048 -8.645 2.508 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 -16.963 -7.361 -12.699 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 2.206 4.992 0.021 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 2.116 7.580 2.212 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 -7.170 3.801 8.621 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 2.614 -1.117 5.037 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 13.801 -6.711 -12.746 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 -38.281 20.240 -0.587 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 4.071 1.361 -1.674 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 -7.902 12.672 -1.470 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 18.653 -6.698 -4.169 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 -3.419 -2.965 -1.570 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 -16.797 -2.819 9.100 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 0.454 1.301 -4.102 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 -6.373 -4.923 -2.205 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 -4.059 12.814 -17.415 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 17.314 -7.437 2.551 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 4.013 -0.584 1.918 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 -17.374 -1.059 -10.050 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 -1.907 -3.166 1.099 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 -6.659 -0.434 3.146 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 -7.723 -0.191 -4.101 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 0.889 -0.233 -17.941 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 4.673 5.435 1.665 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 -11.462 -7.876 13.328 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 8.266 0.482 6.242 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 -1.511 2.517 11.366 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 -19.405 5.801 -2.292 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 -19.533 -7.867 23.959 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 -0.242 7.806 1.775 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 -2.070 -9.794 15.619 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 -7.036 0.252 -15.714 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 0.242 2.080 3.907 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 -8.056 4.565 10.255 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 -9.829 9.395 13.342 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 1.864 -7.721 -1.084 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 5.780 14.301 0.460 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 17.170 9.829 0.454 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 7.168 -4.078 2.664 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 -3.386 25.546 1.241 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 -19.654 -13.651 -12.223 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 3.965 1.313 -2.301 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 7.970 4.734 -5.242 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 -2.915 3.080 -4.522 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 -4.197 -4.343 7.169 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 9.482 -16.529 7.112 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 10.939 -9.020 1.992 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 -2.792 1.830 0.033 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 -4.610 -12.139 4.779 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 -8.075 6.663 -2.054 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 -1.487 -0.396 7.333 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 -5.259 -10.691 9.356 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 -15.778 -2.863 -0.256 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 -1.008 3.801 -2.049 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 -11.493 -3.138 -1.407 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 24.116 7.617 -0.456 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 -2.516 -5.440 1.579 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 -5.914 9.564 -15.677 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 -1.485 9.288 16.000 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 -3.080 0.640 -1.110 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 -2.924 2.220 -16.845 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 -14.905 -7.812 -0.088 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 4.996 -0.745 -1.181 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 16.193 0.643 -3.917 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 -3.062 -9.971 -13.196 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 -0.882 -4.993 4.320 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 9.791 11.810 -21.632 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 -14.844 8.896 8.863 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 -0.611 3.104 -0.519 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 7.373 -12.245 6.680 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 -12.590 -6.537 10.266 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 2.939 -1.633 -3.518 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 10.430 -20.032 1.605 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 16.907 -7.893 4.549 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 9.729 1.478 8.691 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 14.156 -11.179 -15.306 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 -8.987 12.252 27.950 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 -4.919 -0.354 -13.093 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 -2.712 -1.553 -14.139 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 -19.013 1.180 -7.044 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 -3.682 2.248 -0.788 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 10.186 -0.973 0.641 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 -4.267 0.144 7.267 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 -0.214 9.183 -3.581 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 -3.277 7.053 -12.147 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 9.147 15.592 -17.127 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 0.419 -2.590 -5.719 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 7.855 -31.969 13.249 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 -24.996 10.319 17.637 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 2.047 -1.011 -3.180 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 10.479 4.558 5.022 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 -11.781 0.275 -15.212 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 1.966 0.285 3.969 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 2.693 1.005 2.399 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 7.523 -2.180 -1.362 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 -4.149 4.781 -2.780 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 16.612 22.525 -16.213 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 1.281 -23.676 -8.466 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 6.978 -4.344 -2.952 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 6.398 -19.842 -0.195 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 0.175 2.440 9.062 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 -0.582 -0.192 -0.404 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 -13.677 -7.926 -28.245 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 14.212 4.178 4.210 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 -2.686 -5.172 1.788 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 15.859 -7.106 -0.568 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 -16.827 -6.057 6.005 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 -5.020 -0.486 3.840 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 -7.204 14.079 20.592 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 0.340 3.237 -5.537 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 -2.229 3.048 2.449 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 -25.457 5.229 3.352 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 8.338 -16.908 4.551 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 -8.065 0.511 -6.380 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 -6.924 -5.888 9.489 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 -14.038 5.323 1.213 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 3.888 -0.244 -3.630 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 7.837 -4.300 -15.833 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 5.964 -0.962 -3.485 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 -0.614 3.130 -1.152 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 3.683 20.114 0.027 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 -1.806 -2.988 -1.390 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 -0.609 10.463 0.777 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 -8.541 10.376 -3.663 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 -2.426 19.676 10.824 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 -1.023 -6.136 3.258 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 -7.436 -8.596 8.731 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 -3.166 -10.458 10.505 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 0.605 0.596 -2.962 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 6.987 -7.618 1.406 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 9.432 -15.060 0.521 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 2.683 3.326 -2.148 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 19.632 -1.764 9.698 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 -19.301 12.499 10.854 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 3.296 4.010 -5.271 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 -10.427 7.101 -9.311 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 9.628 -5.547 -9.959 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 -5.512 -2.686 2.899 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 -9.477 6.442 11.662 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 -7.588 2.767 -9.099 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 5.462 -9.429 -0.793 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 -4.459 -11.277 1.291 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 8.194 -5.369 -10.928 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 -0.137 11.023 4.314 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 -28.605 15.863 6.554 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 26.841 15.065 5.689 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 -3.389 -0.193 1.153 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 -9.653 0.406 -8.247 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 15.992 30.768 -18.816 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 2.658 -0.060 7.565 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 17.991 -5.551 -6.923 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 -9.416 5.807 9.396 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 3.622 4.283 -3.138 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 4.369 -4.570 26.187 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 -11.833 10.714 19.497 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 -1.470 -2.513 3.484 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 -0.013 4.534 -2.742 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 1.116 1.423 -7.108 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 2.007 1.312 -2.544 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 -4.995 2.181 8.802 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 15.331 -10.570 5.769 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 0.554 -2.734 0.681 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 18.011 8.971 20.596 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 -2.767 -11.153 -12.213 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 -1.497 0.537 -3.979 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 9.397 -9.650 1.800 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 4.645 -6.785 1.902 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 6.362 4.466 4.332 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 -8.363 -1.467 12.383 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 6.624 14.822 10.359 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 -0.237 -2.979 0.390 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 -17.857 4.885 -27.495 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 -16.124 -10.711 7.143 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 4.606 -0.378 -6.237 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 -38.942 -2.622 -44.095 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 -1.340 13.164 -14.226 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 -1.956 -0.134 6.799 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 4.432 -6.516 9.522 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 1.056 -4.323 18.016 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 1.799 4.388 2.543 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 1.846 13.288 -12.196 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 -1.948 7.925 -8.806 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 2.139 4.134 2.371 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 9.613 3.478 2.232 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 -0.517 9.394 2.713 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 5.052 4.071 5.597 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 0.464 3.223 7.433 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 11.487 5.884 2.981 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 -2.188 -6.184 1.372 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 2.782 -12.179 4.112 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 -19.027 -3.162 9.468 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 6.099 2.437 -1.134 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 1.915 -9.812 -6.110 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 4.936 -15.549 3.409 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 -3.281 0.965 -4.959 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 7.144 17.521 -8.099 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 -11.252 2.989 12.586 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 0.801 4.962 2.871 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 14.679 7.425 3.643 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 -4.377 21.497 0.473 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 -4.701 -2.244 -1.944 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 -10.776 -3.463 -9.417 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 -6.607 0.401 4.311 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 0.154 -4.149 -6.517 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 9.425 5.935 -6.333 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 -1.913 6.827 -4.260 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 -4.558 0.736 1.942 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 -0.344 -0.364 -1.408 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 -10.408 -15.471 12.814 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 -5.847 0.752 2.612 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 3.309 14.582 -17.147 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 3.702 12.892 -0.493 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 1.429 -2.786 -5.591 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 -13.415 -36.790 7.518 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 1.917 8.847 -10.996 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 -0.138 -2.410 0.743 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 -0.726 -14.217 5.597 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 11.510 19.752 -13.057 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 -1.906 3.664 -7.580 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 9.844 -0.956 6.265 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 -16.584 -20.214 -10.264 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 0.246 -0.771 -3.386 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 -11.979 1.404 -24.106 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 -32.623 9.011 -8.725 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 9.329 -1.895 2.831 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 15.500 -11.523 1.136 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 -13.827 -13.812 19.470 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 -2.800 -0.007 1.944 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 4.266 -7.261 4.458 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 -3.209 5.539 7.622 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 3.239 -0.032 4.604 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 -24.631 3.603 9.271 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 2.441 29.362 -22.464 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 -1.964 -0.950 -3.097 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 -5.721 -6.804 -14.438 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 -5.783 2.857 15.170 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 1.557 1.127 -6.157 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 -29.673 -16.056 13.165 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 -9.364 -6.600 -0.785 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 -0.182 0.007 -4.940 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 -11.232 -1.095 1.334 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 7.982 19.633 3.520 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 5.878 -1.678 2.659 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 21.835 4.526 -12.380 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 -8.082 -2.207 4.352 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 3.271 7.124 -4.147 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 -1.444 -15.469 7.730 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 1.490 -13.892 12.805 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 -5.510 -4.048 3.599 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 -5.626 -7.691 9.876 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 -14.815 -3.181 -8.520 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 0.137 2.644 -2.051 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 -12.865 -9.994 16.100 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 2.192 4.259 -4.764 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 0.748 0.219 7.822 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 7.457 -4.233 -1.835 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 1.563 -2.536 4.322 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 -1.689 5.079 -1.789 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 -1.039 3.147 14.027 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 14.014 6.716 -14.952 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 -0.906 -1.035 -0.085 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 -5.580 -6.448 4.157 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 6.856 -3.648 0.554 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 6.434 -5.337 -2.849 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 10.601 18.550 10.020 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 0.574 -12.964 -3.742 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 4.344 2.069 0.300 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 9.675 17.958 -12.140 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 -20.977 4.322 -9.473 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 -1.731 -0.301 -2.635 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 0.988 -3.612 -0.838 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 18.898 -1.963 17.926 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 -2.193 -0.100 7.697 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 22.688 2.484 -10.675 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 -6.372 3.374 8.538 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 0.893 5.587 1.831 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 13.388 4.382 -5.630 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 -2.776 19.304 1.770 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 -4.934 -0.099 0.251 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 -20.113 2.558 -1.602 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 -2.097 2.478 0.106 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 -6.269 4.324 -2.387 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 -6.817 -3.581 -11.979 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 2.686 -3.370 4.040 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 1.557 2.700 -4.524 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 4.202 1.925 14.131 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 9.748 8.889 -3.455 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 -0.718 -9.282 2.742 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 -4.196 -10.646 -2.733 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 -4.914 -3.999 6.526 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 -1.023 -1.547 1.419 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 4.805 -9.909 -2.702 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 -13.307 -3.783 3.097 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 -1.880 -4.645 4.341 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 3.838 4.669 -11.294 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 -1.397 -3.712 3.646 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 -2.153 -1.877 -6.790 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 -15.188 -1.797 -7.774 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 -6.765 -0.783 -4.443 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 -3.212 -2.930 -2.536 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 14.028 5.037 0.431 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 -11.133 -2.477 -5.780 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 -1.846 5.073 3.978 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 0.597 -2.721 -8.853 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 -2.916 -12.606 -7.672 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 -2.004 1.969 5.413 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 9.008 16.306 -14.884 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 -27.277 -13.247 -7.563 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 -5.233 2.192 -2.919 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 12.148 -1.138 -9.178 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 -13.372 -15.125 -0.327 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 -0.532 0.084 -1.333 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 -2.473 2.426 7.248 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 -7.204 8.771 8.763 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 -2.120 1.478 -2.386 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 -19.918 16.604 -6.146 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 24.682 7.090 -14.613 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 -3.328 -0.606 4.008 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 -3.380 4.574 4.354 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 -4.283 -8.677 -0.258 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 4.741 4.426 9.969 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 -15.548 -6.201 8.254 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 -29.163 -23.221 -3.658 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 -8.929 1.497 -0.187 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 2.207 -1.104 -4.073 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 -30.568 4.819 8.151 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 3.827 -7.753 4.094 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 -23.752 -11.670 10.565 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 -2.309 -9.282 8.084 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 -0.236 5.053 0.719 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 -4.514 -3.418 -15.910 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 16.458 -2.169 4.960 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 1.269 -2.675 5.765 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 -7.008 -5.868 -0.758 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 9.580 -0.335 12.427 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 3.541 -0.070 -5.296 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 -23.816 0.605 0.309 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 -1.482 -9.141 -20.823 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 -1.193 0.184 3.306 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 11.859 3.042 6.426 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 -2.095 3.777 -6.395 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 -0.185 -0.199 12.935 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 1.619 -5.518 -0.886 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 -14.005 0.808 6.196 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 -0.044 6.856 -0.314 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 -9.370 11.013 5.679 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 1.069 5.845 2.291 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 -3.162 4.002 -3.555 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 11.918 -3.928 -11.108 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 -21.089 -2.569 0.055 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 0.521 3.819 -2.597 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 -2.806 -10.341 -3.445 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 0.348 -8.981 3.091 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 4.013 3.881 -3.365 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 22.919 13.047 3.979 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 -7.145 -22.094 5.762 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 -0.256 9.675 2.810 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 -4.405 17.041 -2.407 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 13.733 0.620 -3.167 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 1.032 6.149 5.661 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 -4.331 4.298 8.798 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 5.429 16.006 -10.394 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 -0.626 -5.007 2.942 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 -15.223 -12.070 14.104 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 -1.073 -24.914 -3.231 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 -0.389 -3.690 10.987 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 13.930 1.328 13.449 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 -5.911 12.712 6.920 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 1.566 1.038 3.221 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 29.484 -3.998 2.983 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 -7.386 -2.800 3.516 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 3.657 0.023 -1.126 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 13.518 0.877 -7.466 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 -2.169 6.541 2.590 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 0.481 2.728 -4.274 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 10.821 -7.376 -7.769 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 -2.170 -0.926 26.194 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 0.276 -7.733 1.925 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 -6.957 -7.879 -13.682 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 0.572 -14.149 9.729 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 -1.083 5.014 0.808 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 3.998 4.042 10.888 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 4.041 5.938 1.642 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 3.428 2.794 -8.575 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 18.566 -6.595 13.603 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 -6.702 -12.015 1.708 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 -4.603 2.272 5.160 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 6.211 8.602 14.620 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 -10.625 -1.335 -1.208 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 1.978 5.368 2.231 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 16.182 6.664 12.495 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 -28.081 -10.744 -10.802 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 2.049 3.483 2.169 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 2.411 5.281 1.697 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 4.750 24.037 -5.314 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 -7.444 0.887 3.196 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 8.357 5.600 -0.118 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 8.948 -10.836 7.557 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 3.608 -1.847 3.430 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 1.767 -1.005 -5.818 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 -3.764 4.753 -7.154 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 3.225 -4.432 -2.689 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 -4.666 -4.599 -2.810 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 5.819 -10.788 -7.751 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 -0.067 0.307 0.577 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 4.071 4.820 20.050 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 -15.342 5.684 -0.255 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 1.502 0.100 -0.935 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 29.839 23.138 1.793 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 -10.094 -26.956 -9.230 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 -5.187 1.249 -0.065 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 -5.409 1.651 6.183 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 4.828 -1.608 12.274 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 4.858 0.594 2.027 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 4.965 1.125 2.121 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 -4.409 -8.082 0.566 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 -0.251 -10.358 3.811 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 -0.053 -3.360 25.714 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 0.275 3.617 20.379 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 5.068 -1.231 -0.672 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 -5.013 -14.537 -18.480 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 -4.981 10.897 2.137 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 -2.123 1.605 1.450 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 7.770 12.219 -4.781 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 -0.489 7.000 18.751 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 -0.403 -2.263 5.125 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 -0.636 -16.256 0.718 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 -0.755 21.296 16.139 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 0.226 -1.112 4.694 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 17.853 11.197 16.838 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 14.826 10.437 -2.235 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 -2.352 4.970 -5.615 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 -1.311 10.523 0.947 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 -14.105 0.672 -4.724 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 1.500 -1.684 1.744 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 6.097 17.591 6.873 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 8.484 -22.887 4.140 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 6.936 -0.340 0.342 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 17.687 -1.357 -1.255 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 3.914 -4.489 -12.906 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 -4.652 0.250 1.545 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 6.175 -5.779 -11.315 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 0.769 -1.926 -2.152 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 -3.049 -0.467 3.424 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 0.551 -2.922 3.789 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 -3.409 -1.563 1.752 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 1.361 0.044 5.010 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 -17.817 14.105 7.904 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 2.866 2.881 4.869 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 4.323 1.612 -0.268 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 -10.337 5.371 3.290 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 -30.378 -9.548 4.696 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 -10.813 -6.098 -6.639 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 -8.809 30.088 -1.096 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 4.684 -2.311 -6.611 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 2.270 -4.501 1.006 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 -7.565 8.716 -26.199 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 -6.510 -1.434 -0.096 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 -1.084 -3.915 -5.072 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 10.499 -14.429 -8.701 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 -16.270 5.400 -23.281 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 2.105 6.274 6.817 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 -24.593 12.033 31.813 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 -7.836 10.632 0.729 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 -5.314 -1.321 -2.522 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 -7.806 -14.026 2.110 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 -4.017 2.993 13.024 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 -0.380 -1.684 -5.530 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 15.386 -5.187 -14.823 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 9.227 -24.717 7.493 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 -0.079 -3.466 -5.995 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 0.576 -3.018 -2.438 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 -0.556 -7.399 -7.556 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 -0.688 -0.759 10.634 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 7.121 -7.025 23.875 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 1.958 -0.577 8.730 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 -1.265 -3.418 -3.457 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 5.168 -17.691 6.411 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 0.037 -13.809 3.235 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 5.908 3.822 1.096 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 -7.223 15.297 23.145 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 -3.431 3.424 9.595 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 -0.745 4.887 2.942 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 -22.853 27.037 -1.660 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 -19.443 29.528 3.030 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 5.843 4.596 0.471 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 -10.433 2.788 5.544 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 -4.065 0.591 -2.640 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 -6.932 4.399 -3.042 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 25.073 14.963 -23.015 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 9.265 9.270 -0.217 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 -6.862 -1.251 5.167 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 11.793 -0.413 -12.402 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 14.803 -2.089 -1.579 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 -2.680 1.684 -4.796 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 -3.377 1.696 -8.628 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 -10.146 7.590 7.082 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 -5.039 -3.624 -0.928 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 0.169 -4.369 0.589 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 -7.752 -2.186 0.151 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 -4.330 1.306 6.375 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 -5.006 -1.003 -21.291 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 11.938 21.290 -7.472 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 -1.112 -5.346 -2.447 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 -10.058 16.377 8.476 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 15.467 -4.445 -8.582 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 1.921 -2.981 -3.436 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 3.187 -1.271 -2.633 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 5.498 -7.118 -9.338 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 -3.753 -4.686 2.160 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 6.539 -2.536 17.452 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 -6.385 2.191 15.018 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 4.816 -4.003 1.120 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 -18.457 -6.824 2.089 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 -6.863 -4.949 1.781 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 -1.345 -0.664 0.593 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 7.735 5.279 -0.910 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 -3.070 2.156 -3.239 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 4.647 2.718 5.103 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 9.194 6.151 -6.378 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 23.678 18.041 18.257 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 0.268 -2.205 -5.400 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 33.747 -11.170 1.818 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 -1.161 32.010 7.057 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 -5.984 1.237 -1.436 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 -17.768 -2.390 4.702 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 -7.179 -6.850 12.484 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 1.138 3.256 -1.182 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 -19.311 2.157 -12.303 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 8.655 -16.114 -22.155 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 5.069 3.812 -8.280 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 -10.780 0.997 23.267 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 -29.553 11.536 17.195 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 0.206 -1.065 -2.567 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 -22.355 -4.741 -28.849 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 -23.637 -0.063 -15.839 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 -1.747 -2.584 4.998 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 -6.627 1.943 22.067 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 -7.233 -4.929 29.430 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 -4.328 -5.207 0.684 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 -3.526 -6.240 -24.991 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 20.779 9.456 -0.189 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 -6.319 -5.013 3.620 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 -4.455 9.619 14.072 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 -6.091 -5.140 -0.332 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 1.976 2.392 1.949 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 -0.442 -6.633 5.135 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 -2.000 14.352 8.342 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 -5.648 7.722 -6.956 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 8.631 3.109 8.605 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 -9.135 8.870 -15.307 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 0.459 -1.512 2.439 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 -15.252 8.784 -17.109 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 4.276 -5.124 6.739 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 0.801 5.146 1.598 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 15.881 -25.436 3.222 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 30.069 -14.867 12.368 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 4.292 -0.937 -1.612 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 8.413 5.382 0.710 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 4.328 -6.058 4.733 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 -3.984 -2.624 -1.906 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 -9.253 -5.852 33.965 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 -7.270 -4.179 -4.971 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 0.444 -1.909 7.626 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 1.908 2.168 17.779 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 -13.937 -2.942 10.695 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 1.440 2.069 1.090 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 3.065 7.027 -4.610 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 -12.885 16.443 5.023 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 1.945 -3.873 4.820 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 -25.297 -6.042 -2.643 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 16.321 -6.983 -17.288 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 1.267 -0.289 1.414 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 -23.965 33.652 -18.236 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 12.155 -2.577 17.733 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 2.804 1.165 -2.053 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 -12.355 4.433 18.645 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 6.068 -2.289 15.266 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 5.624 -6.230 -5.473 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 -4.481 -12.874 -11.120 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 4.162 -15.198 1.951 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 -1.695 4.895 0.493 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 -0.175 7.667 -30.787 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 5.853 -20.294 0.369 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 3.774 -4.526 -0.156 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 3.522 -4.859 0.600 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 3.572 -5.605 1.553 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 -4.035 9.332 1.050 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 -5.243 1.421 -7.057 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 -5.871 17.947 6.091 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 -0.356 1.358 -0.091 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 -3.244 12.865 -2.411 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 0.242 -9.297 15.658 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 -6.218 -4.787 2.886 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 -2.159 11.023 -7.133 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 -18.950 3.254 4.203 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 -3.320 -4.910 0.605 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 5.512 6.826 -0.582 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 6.362 9.575 -4.388 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 1.713 3.360 0.556 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 19.829 20.794 10.432 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 -6.432 -3.350 -3.563 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 4.439 3.189 0.046 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 14.824 0.846 -7.169 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 -6.013 -12.461 5.096 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 2.666 -2.068 -3.322 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 -11.527 -15.018 -9.938 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 -1.540 13.581 -9.700 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 2.035 1.830 -0.947 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 0.703 -4.114 -7.769 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 -5.518 7.958 -0.405 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 -2.422 0.673 1.901 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 -18.734 -8.843 -10.225 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 -1.991 23.078 -14.490 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 5.566 -1.360 -2.820 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 -9.862 -2.363 -11.103 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 17.994 3.272 -15.074 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 -1.766 -1.060 3.795 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 21.378 0.082 3.385 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 0.868 7.473 15.883 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 -1.148 -1.051 -0.628 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 2.966 6.698 6.019 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 7.968 -0.799 -8.178 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 1.520 -0.365 0.555 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 -13.990 -10.485 9.974 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 -18.292 -13.231 12.773 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 -3.325 -8.001 -0.309 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 -3.181 -3.849 -3.811 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 11.988 15.999 1.479 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 2.648 -5.237 1.999 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 5.461 -16.133 23.864 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 -16.275 9.823 -0.787 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 -1.165 -0.541 2.206 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 9.964 0.361 -2.146 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 -3.160 -12.567 7.334 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 3.617 -3.854 -7.977 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 -1.080 -0.221 16.114 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 3.324 -2.470 -7.444 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 -6.028 -0.178 -0.816 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 -22.732 -8.191 -2.666 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 4.941 -15.188 6.780 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 5.593 -6.091 3.244 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 -3.292 7.856 -19.517 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 12.299 4.098 4.627 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 -3.691 2.187 -1.150 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 -1.515 -13.704 4.747 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 -6.571 20.190 -1.973 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 -2.128 0.245 -8.462 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 -6.739 2.084 -0.771 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 -9.672 7.172 7.618 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 1.246 2.775 0.789 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 -2.949 -5.566 -3.618 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 -3.989 14.855 -5.540 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 -1.322 -0.502 1.655 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 6.045 -4.459 7.658 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 -3.841 17.189 6.143 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 3.229 -4.734 1.987 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 10.253 -14.927 0.523 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 -3.328 -11.192 -1.878 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 -1.825 -1.055 0.633 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 -0.763 -3.163 1.573 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 -9.911 11.146 -10.341 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 0.738 3.879 8.420 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 16.588 9.092 12.895 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 13.232 8.593 13.601 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 -2.411 3.054 -1.966 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 -5.797 0.184 -0.497 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 -0.922 7.115 10.159 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 0.405 6.673 -0.438 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 -7.544 10.267 5.003 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 19.108 -21.084 -23.767 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 -0.199 0.057 8.168 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 -5.643 -11.555 -12.312 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 -6.020 25.471 -8.289 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 3.730 3.851 0.472 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 -2.620 33.278 -6.023 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 -9.027 -3.879 6.952 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 -5.292 4.947 6.038 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 -10.981 -8.464 -1.825 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 -9.760 -3.931 -4.909 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 7.345 4.802 -0.641 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 4.530 7.991 -5.898 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 -3.555 9.579 -7.126 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 1.855 -2.525 -2.164 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 10.924 1.593 -8.114 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 -0.679 -1.139 4.077 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 -3.113 1.050 -3.603 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 -3.753 1.821 -8.601 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 10.534 -6.993 -1.348 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 1.847 3.157 -10.157 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 -22.977 16.361 3.485 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 -8.074 23.277 -3.605 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 -7.239 -0.367 -0.946 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 -25.620 -2.848 12.252 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 14.918 1.567 -28.375 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 -0.080 2.100 2.454 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 6.651 8.636 8.687 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 22.352 -4.777 -27.976 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 -2.161 -5.212 -2.660 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 1.390 1.738 15.290 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 -17.914 -1.120 23.288 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 -1.218 0.037 3.805 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 -4.107 -17.672 -3.041 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 -0.347 -7.231 1.523 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 -1.707 -2.373 -3.640 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 -16.874 -11.125 -13.227 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 1.727 0.043 -1.722 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 -0.922 -6.890 -1.359 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 -1.114 16.871 -2.740 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 -1.008 -9.196 -4.172 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 2.320 -3.608 0.353 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 5.839 3.302 0.324 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 -6.612 -12.612 -3.042 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 -5.675 3.702 -1.815 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 -16.288 -9.989 8.802 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 -0.730 -8.857 -2.361 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 -3.085 3.434 -3.255 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 -11.600 -10.872 0.324 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 18.598 -10.542 7.819 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 4.267 8.681 2.980 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 4.956 17.871 1.823 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 15.295 40.139 -4.182 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 -5.660 -7.220 1.673 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 -2.595 -5.587 -6.544 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 0.981 -5.444 -13.722 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 -0.347 -0.567 6.129 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 5.577 34.403 -18.015 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 -16.182 -1.999 -0.488 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 -5.688 1.255 -3.022 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 -6.804 4.412 -0.668 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 23.800 -17.332 -12.986 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 3.721 1.536 -4.096 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 8.533 16.482 -4.995 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 9.696 3.340 12.821 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 3.617 -2.848 0.148 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 -6.886 -8.067 2.767 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 30.448 9.676 -6.257 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 0.228 7.875 2.055 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 10.573 14.292 9.273 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 13.517 -17.319 18.757 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 1.378 0.234 6.808 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 -5.669 4.039 10.343 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 4.986 -9.184 2.312 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 -4.684 5.473 6.817 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 -0.620 -16.072 -8.560 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 -1.718 -6.251 28.572 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 0.995 -3.352 -1.712 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 12.623 -17.424 2.623 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 10.033 -8.041 5.488 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 4.295 0.075 0.505 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 -4.157 -24.644 3.065 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 10.351 6.394 1.548 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 -0.048 -1.231 -5.208 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 -5.050 8.874 -17.964 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 -14.951 -11.268 3.046 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 -5.738 -5.612 -3.133 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 -3.504 22.820 -11.697 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 -7.453 0.895 4.981 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 2.284 7.588 1.302 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 1.445 6.407 3.939 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 11.956 12.034 -12.982 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 -8.817 5.200 1.921 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 2.873 -2.813 7.945 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 -1.682 6.560 -8.860 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 -3.984 -7.415 5.545 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 -1.678 3.131 -12.408 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 1.353 7.911 15.383 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 3.314 -3.841 -0.484 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 15.378 4.745 -6.325 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 -2.210 -6.157 12.216 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 0.613 3.330 4.900 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 17.088 -0.732 -6.674 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 -7.870 1.121 9.142 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 4.727 3.019 3.083 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 3.918 11.741 -3.892 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 10.976 4.829 -4.312 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 0.477 -2.252 2.928 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 14.464 5.719 0.471 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 -21.005 4.758 -4.289 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 -2.050 5.416 -6.894 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 -5.508 10.519 -5.613 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 0.852 5.191 -12.289 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 1.052 -5.794 3.138 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 -5.940 0.550 8.183 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 3.841 3.377 6.778 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 -3.465 -1.941 6.449 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 9.760 0.439 -19.755 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 -6.699 0.975 2.355 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 6.266 -1.901 0.357 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 13.227 -18.941 -1.604 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 14.522 -21.515 -2.100 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 -5.401 0.540 -2.249 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 -6.765 32.556 14.340 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 -1.476 7.571 32.052 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 1.511 -1.543 -2.214 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 5.085 2.278 -1.487 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 -15.676 -24.194 -16.811 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 -3.456 -1.797 4.157 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 0.522 6.762 -10.698 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 -12.761 -6.188 -4.968 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 0.789 -0.335 4.601 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 3.627 -9.773 -3.141 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 7.368 -1.168 13.792 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 -0.498 0.386 -4.401 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 1.159 3.977 -3.217 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 -10.310 -0.792 1.666 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 -2.892 0.998 3.136 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 -18.103 -12.587 -9.614 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 4.051 9.639 11.355 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 4.469 3.633 0.740 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 -2.466 8.641 -2.421 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 6.498 8.006 9.897 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 -1.000 3.548 0.632 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 -11.930 19.025 4.312 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 -1.942 0.496 -12.265 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 -5.503 2.666 7.523 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 -2.322 34.101 -5.432 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 23.575 1.040 14.091 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 -3.056 2.279 5.238 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 3.578 3.831 18.878 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 22.483 -8.445 -1.686 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 -0.290 2.584 0.754 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 -0.060 -2.521 7.591 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 -7.140 16.401 -22.756 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 1.368 0.133 3.432 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 -3.317 1.428 4.456 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 34.101 -8.285 16.043 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 -0.188 -1.731 -2.408 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 -26.316 -1.516 0.905 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 -1.768 18.860 0.865 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 3.658 0.229 8.900 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 18.061 11.015 1.395 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 -5.576 -8.824 16.036 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 4.664 -1.632 4.020 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 -8.279 -10.580 -18.031 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 1.654 -6.998 -17.302 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 -1.870 -1.360 -0.376 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 -10.391 5.152 -4.462 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 6.997 22.640 -24.749 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 -2.764 5.728 -4.187 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 11.896 5.436 5.555 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 -14.320 4.573 18.024 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 4.049 -0.866 -7.981 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 -3.332 -9.080 15.188 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 22.883 -16.283 -8.869 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 2.133 1.403 3.507 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 0.270 12.895 -18.563 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 5.174 1.503 -12.510 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 2.835 5.293 -9.068 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 -25.507 26.391 -16.003 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 11.847 4.650 -23.124 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 5.573 -4.425 -4.654 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 6.569 -6.636 -5.122 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 2.703 -8.911 0.349 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 -0.619 -0.090 2.542 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 5.542 4.227 -25.903 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 0.946 -30.294 10.357 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 6.703 -7.121 -6.146 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 10.280 -9.008 -20.887 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 10.655 -7.259 -10.726 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 2.789 6.173 -0.263 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 19.667 8.467 9.860 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 6.071 -2.332 0.548 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 -1.803 1.404 1.112 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 7.214 -32.153 -7.018 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 -8.375 9.576 -0.963 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 -3.081 1.148 0.048 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 -5.306 -0.624 -0.811 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 -20.283 -10.406 -7.030 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 -8.921 -2.131 -6.959 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 -14.760 -0.291 9.440 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 -10.269 -5.114 -3.817 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 2.414 -4.135 -3.080 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 -0.769 -19.929 3.522 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 5.179 13.360 -10.408 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 4.753 6.114 6.049 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 -3.017 8.014 -1.329 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 28.134 3.264 9.857 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 5.722 -11.319 -3.658 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 -4.943 -5.012 -5.379 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 15.566 -18.548 -12.614 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 -9.474 -3.384 2.065 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 21.037 14.720 -2.928 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 19.243 -4.005 15.188 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 1.186 0.317 -4.090 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 3.942 10.836 2.199 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 -2.725 -3.254 17.632 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 -1.413 -6.810 2.548 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 -10.281 -8.365 -0.504 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 -26.571 0.541 3.991 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 1.185 -1.502 -3.395 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 8.833 1.339 18.815 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 11.913 -1.669 20.075 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 2.735 4.338 -2.632 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 -6.962 -8.534 -8.990 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 7.795 14.488 -16.967 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 5.305 -7.116 5.059 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 9.853 -13.278 19.840 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 -0.077 -16.955 0.636 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 -2.829 4.306 -2.281 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 -4.208 14.677 -10.117 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 -6.053 0.558 19.952 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 -0.766 3.513 -1.280 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 -7.203 -7.535 -13.562 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 -3.509 22.012 -18.747 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 0.349 -5.754 4.755 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 -17.297 -3.483 28.654 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 4.812 -6.003 -1.312 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 -1.482 2.081 -3.671 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 -11.295 4.764 7.234 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 -19.643 3.868 -2.489 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 -1.037 3.075 -3.128 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 1.339 18.808 3.835 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 14.768 -4.204 -16.985 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 0.560 -5.954 0.951 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 -6.602 -10.137 -4.591 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 9.022 -7.783 -1.572 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 0.074 2.691 3.329 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 -4.141 22.870 2.743 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 3.822 0.593 -8.570 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 -8.422 -2.518 -2.521 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 -7.311 14.153 6.677 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 -1.699 -6.761 38.044 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 -2.922 4.869 4.360 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 -8.060 13.859 -11.666 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 -4.928 9.079 -4.660 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 0.577 1.617 -3.027 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 3.653 5.733 1.345 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 1.026 6.092 -7.848 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 0.879 0.507 -4.895 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 9.360 17.523 1.373 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 11.736 22.829 3.485 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 0.724 2.602 1.485 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 -9.806 16.344 31.443 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 10.324 -9.613 -24.577 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 -3.622 1.180 -0.906 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 -16.571 -6.043 5.530 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 -8.349 -7.770 7.235 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 4.914 0.266 2.834 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 11.114 -12.736 5.490 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 5.119 -0.626 3.829 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 1.937 3.230 3.036 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 -15.969 -2.862 14.992 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 10.691 -4.926 -9.480 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 3.379 1.261 -6.150 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 -5.293 -5.967 -7.431 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 -5.659 -5.310 -7.029 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 2.719 0.163 0.169 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 -6.218 -14.450 5.630 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 -22.280 -23.573 -11.354 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 3.101 0.627 2.744 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 -6.547 12.626 9.083 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 -9.561 -10.481 -2.122 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 -0.965 -2.342 -0.380 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 -3.525 -7.455 -23.182 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 -8.755 14.596 -2.947 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 -4.328 -6.204 1.864 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 -6.830 -10.732 -0.198 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 -3.598 2.718 -0.511 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 2.082 3.449 2.803 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 1.159 -3.318 -3.048 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 0.529 2.009 10.471 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 -2.101 7.041 -10.383 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 8.123 11.407 -6.942 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 -4.617 2.388 -9.361 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 4.217 3.292 -1.287 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 -2.921 17.004 0.964 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 14.980 -6.392 -0.292 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 4.099 0.758 0.870 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 1.875 -7.391 9.027 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 2.035 0.091 4.934 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 -3.908 0.108 5.741 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 -1.232 0.148 4.513 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 -13.893 -0.611 9.806 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 5.446 7.360 -7.087 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 16.684 32.334 10.375 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 0.723 15.058 13.313 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 -4.551 1.385 5.382 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 -17.192 -1.440 10.592 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 -3.955 -3.042 16.105 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 2.122 3.324 4.400 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 -12.147 -9.661 13.157 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 9.093 6.237 0.999 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 -2.274 -1.190 3.330 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 -5.700 7.666 12.264 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 15.912 -18.148 14.561 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 2.789 -1.874 0.164 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 3.547 4.951 29.550 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 1.837 2.096 -2.728 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 -3.905 1.364 -6.130 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 -30.165 11.390 11.703 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 30.545 15.601 -16.489 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 2.201 -4.968 -1.536 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 13.232 -7.630 3.676 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 14.713 -10.226 -3.424 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 2.517 3.367 -2.851 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 10.348 12.275 -13.920 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 -18.075 -3.217 13.162 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 -5.544 0.224 -4.011 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 -6.572 -1.349 18.906 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 8.517 -11.567 22.654 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 -4.010 1.488 -3.356 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 -11.682 -2.797 3.369 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 32.641 28.390 -39.631 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 -1.526 1.304 -7.435 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 -2.405 -20.429 -11.449 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 7.069 -23.857 -4.237 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 1.871 5.829 0.035 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 11.066 -9.626 21.088 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 -18.095 -7.387 -5.648 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 -2.910 -0.504 0.527 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 9.183 3.019 9.995 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 5.979 -1.986 16.649 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 0.870 -0.092 1.536 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 1.577 11.124 10.864 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 -31.530 5.460 2.579 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 -6.794 2.572 1.690 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 -6.626 -0.766 11.712 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 -14.220 17.322 -16.030 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 1.805 -2.108 -2.860 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 5.832 -7.222 -1.901 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 2.722 -7.985 4.448 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 4.321 1.481 -3.158 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 2.651 12.480 8.584 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 -16.824 7.545 -0.988 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 3.906 -2.112 -1.180 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 -5.906 24.429 -24.643 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 0.715 14.876 1.336 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 -3.774 -2.062 0.237 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 -0.539 -11.428 -8.398 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 -7.871 5.359 -1.189 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 5.679 -1.857 -3.326 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 -2.447 -3.447 20.697 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 -19.862 13.722 -7.595 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 -3.155 -0.409 1.150 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 5.052 -13.215 -4.416 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 -0.976 -11.600 -2.712 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 -0.143 -2.290 1.452 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 18.954 -22.676 26.579 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 -2.532 -0.675 -0.820 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 -5.254 -4.028 4.939 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 -1.547 -1.767 -0.504 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 -1.512 -6.631 9.578 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 0.004 -0.025 2.098 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 10.996 -12.342 14.023 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 6.792 15.676 -1.613 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 4.538 0.679 0.144 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 3.910 -3.739 10.194 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 10.894 -2.055 -5.323 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 4.087 -1.698 1.702 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 -8.178 -4.888 20.043 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 -9.409 -10.103 -12.191 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 -3.103 5.697 2.932 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 -0.444 -5.743 -2.014 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 -6.265 3.208 8.388 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 -1.471 -1.986 6.102 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 -12.957 -4.338 0.786 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 12.358 2.272 11.778 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 3.056 1.788 -3.301 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 -14.492 2.768 -20.665 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 -19.251 -10.688 -18.970 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 0.263 -9.259 -0.323 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 -15.837 -14.482 15.233 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 23.050 0.786 -1.637 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 -2.092 4.240 3.470 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 1.610 0.618 2.097 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 -2.396 11.885 2.585 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 0.523 -0.442 -5.150 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 4.234 -24.372 2.932 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 -0.472 -7.230 -14.473 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 1.951 -2.006 2.181 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 -6.822 14.852 8.605 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 14.029 -13.836 -8.608 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 7.322 6.721 1.585 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 22.880 23.833 7.595 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 -0.539 -0.942 29.684 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 -3.327 -6.415 4.930 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 -2.830 -19.569 22.564 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 -0.171 1.374 -1.513 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 5.064 0.221 -0.414 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 11.291 -11.112 -22.539 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 2.051 -6.214 7.753 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 0.082 -2.008 2.329 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 -4.310 24.271 -17.804 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 16.324 20.959 7.435 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 -0.217 0.096 6.059 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 11.186 17.621 -26.805 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 8.750 1.680 1.440 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 -0.114 5.643 -1.878 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 6.936 14.411 -20.626 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 -1.450 15.277 4.674 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 -1.912 4.376 1.320 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 -5.213 30.089 13.466 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 7.832 7.043 -6.959 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 -3.964 1.907 -8.320 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 -3.337 -13.053 8.743 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 14.989 12.821 -8.367 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 -5.750 -0.890 3.383 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 -7.935 -13.041 10.788 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 0.474 12.795 -2.908 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 -4.021 2.435 -2.203 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 4.292 -5.045 19.927 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 -5.991 2.993 -6.537 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 6.821 -3.964 -1.162 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 -5.034 -3.086 2.093 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 7.665 -2.980 1.598 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 -1.675 3.349 -0.363 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 6.204 -4.315 -0.832 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 8.823 -7.436 4.081 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 0.323 3.442 1.696 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 8.448 17.709 -19.220 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 -6.337 2.120 -6.771 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 2.703 -7.039 1.045 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 -5.563 6.615 1.355 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 -4.622 26.121 13.677 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 -4.618 2.466 4.260 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 -4.370 -0.258 -20.936 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 -7.318 6.689 5.207 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 -0.661 -2.198 -4.023 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 9.056 -17.554 -3.166 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 -11.076 13.397 -4.900 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 1.774 -3.257 -3.886 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 0.918 1.590 -4.778 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 5.498 -1.830 -1.053 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 9.352 -12.424 0.838 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 -21.726 15.411 -4.104 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 -13.367 13.706 -10.422 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 3.358 0.989 -2.554 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 2.582 -5.730 -16.708 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 -0.624 21.677 -12.300 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 -0.090 -1.464 -3.473 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 4.181 11.427 -1.225 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 -10.721 4.172 7.608 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 2.812 -4.048 1.415 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 -7.477 -8.757 -0.734 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 25.256 -0.783 17.579 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 -0.059 1.015 1.060 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 -13.908 -3.070 3.613 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 11.724 2.116 -5.654 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 -3.235 -2.276 -2.099 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 -2.140 -2.354 -2.678 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 19.492 -3.965 -16.207 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 -4.903 8.650 -8.563 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 -5.617 -12.921 -20.895 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 -13.366 -0.670 -18.277 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 5.474 1.617 6.618 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 -19.902 4.307 4.946 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 16.765 9.049 11.721 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 -7.203 1.553 -0.747 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 0.519 -14.370 -26.321 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 -7.467 -5.451 7.763 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 -0.746 3.826 1.422 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 6.941 11.048 -4.639 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 -13.537 3.485 0.874 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 0.261 8.176 2.998 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 -4.491 13.145 0.423 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 0.497 -24.124 16.773 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 -2.325 1.696 4.202 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 -0.822 -10.898 5.977 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 -13.910 9.071 -3.812 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 9.889 -1.325 3.815 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 -12.707 -8.676 -12.957 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 -1.775 -4.748 23.412 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 5.267 3.557 -4.424 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 25.881 -17.255 -12.616 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 -18.015 -27.851 17.041 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 -0.993 -2.270 1.385 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 -1.066 7.880 0.449 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 -1.472 12.578 -4.057 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 0.404 0.951 -0.263 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 -6.092 16.739 -7.472 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 -12.560 -7.757 -11.347 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 1.960 -3.332 0.021 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 -18.329 -12.348 7.824 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 15.855 -7.925 17.682 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 -3.013 -2.304 -0.482 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 -9.644 -12.820 -5.255 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 -5.582 -3.157 -0.321 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 4.404 3.645 1.686 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 -6.484 -5.881 2.710 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 -6.131 5.596 -6.920 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 -7.325 -0.966 4.258 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 -3.242 -11.067 6.926 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 -16.646 5.527 8.713 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 -5.605 -1.842 -6.407 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 -6.744 -9.371 -17.673 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 3.037 11.156 -10.140 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 3.873 4.100 1.351 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 -2.834 10.965 0.177 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 2.390 5.045 -6.469 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 -0.920 1.471 4.273 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 -18.762 -14.456 8.410 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 6.458 -29.169 -10.439 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 -4.111 2.448 -4.085 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 -5.030 8.956 4.137 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 5.212 1.499 12.875 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 1.734 -0.404 -2.917 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 11.718 6.122 -17.987 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 -2.854 -0.790 -8.940 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 -1.724 -2.324 1.137 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 0.672 6.616 15.999 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 5.166 7.781 25.447 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 -2.499 -1.656 4.889 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 4.799 -11.806 -17.891 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 23.251 -13.792 -18.837 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 -5.808 2.601 -1.723 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 -5.904 5.842 -10.166 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 8.684 5.487 8.427 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 -3.670 -0.094 4.396 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 -14.299 -4.071 -21.639 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 17.849 -20.602 5.811 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 -6.222 -0.360 1.347 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 -0.509 2.806 -2.013 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 -6.035 4.513 -9.270 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 -9.616 2.815 -2.353 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 -19.258 22.755 2.375 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 11.930 -0.390 -14.068 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 5.018 1.231 -3.245 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 3.945 2.290 6.512 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 14.218 -4.137 0.615 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 2.558 3.246 0.834 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 -4.836 8.467 4.177 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 10.024 8.068 5.830 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 -0.670 -2.141 4.773 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 14.051 -1.003 -2.373 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 1.413 6.931 11.152 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 2.859 9.676 -4.042 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 -4.939 10.522 -14.045 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 1.017 -1.683 0.836 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 -3.176 -2.272 10.168 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 -6.320 8.446 11.917 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 -5.372 4.040 15.231 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 -2.072 -4.763 -3.834 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 5.377 -20.938 -5.885 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 -2.556 0.104 -8.108 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 -4.710 -1.742 4.063 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 0.155 -10.366 23.039 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 -20.353 -5.209 12.860 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 -2.016 -6.059 1.780 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 -0.581 7.736 -0.422 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 -5.823 -6.155 -5.866 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 4.366 10.917 5.049 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 14.758 8.349 7.697 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 -24.514 2.138 -2.840 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 1.594 1.486 -1.716 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 17.043 -20.044 7.916 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 -1.095 9.403 -6.197 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 -4.530 -1.630 3.048 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 -9.892 -2.729 5.707 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 23.941 2.550 -14.068 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 8.438 -3.792 -1.651 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 10.276 2.981 4.005 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 1.279 7.221 12.218 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 5.759 -5.553 -4.701 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 9.751 0.969 -14.049 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -21.445 -26.323 -14.993 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 3.260 -1.234 2.692 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 -3.558 4.671 -4.100 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 7.316 -9.676 11.535 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 3.193 2.190 3.022 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 4.247 -2.013 -8.146 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 -14.136 -2.195 -11.780 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 4.685 2.390 3.563 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 -6.710 17.951 -0.767 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 -8.703 -12.354 -11.009 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 2.406 3.455 4.499 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 11.210 -15.566 -19.941 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 -4.448 20.895 -5.768 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 2.618 -3.225 1.481 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 16.637 -7.775 2.723 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 23.657 -4.485 4.127 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 -2.505 2.568 3.739 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 -7.805 13.759 24.485 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 9.167 -6.513 0.563 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 -4.891 -4.850 -2.428 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 -12.769 -5.523 -6.850 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 -8.630 -12.672 0.382 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 -7.790 7.909 2.080 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 10.786 -2.530 6.565 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 -13.728 -8.007 -1.766 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 2.254 -2.222 2.307 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 3.981 -6.852 2.214 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 3.327 -4.998 12.943 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 3.953 -3.144 1.663 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 -0.383 6.166 -18.903 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 8.286 -11.259 20.638 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 2.725 -0.354 1.173 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 33.626 -1.922 -6.745 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 3.252 -2.858 -6.894 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 -1.313 4.275 -2.234 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 3.174 11.750 -1.920 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 -7.077 -1.549 -1.591 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 -2.759 3.194 -0.997 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 -3.049 6.154 -1.363 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 3.535 -4.620 -10.613 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 -2.562 3.262 -0.300 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 -16.105 14.930 4.148 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 1.150 -0.720 -10.144 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 -1.109 7.715 7.991 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 -18.053 14.247 -5.729 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 -6.090 -4.299 -1.686 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 -0.684 -1.388 -5.078 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 9.940 17.391 1.993 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 -21.812 0.600 -4.769 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 -2.446 -0.935 0.525 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 -23.328 7.455 17.424 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 -5.356 -8.328 3.979 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 -0.689 5.626 -3.088 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 8.480 -8.070 -5.984 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 6.087 7.674 8.662 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 -0.847 8.775 -1.586 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 7.105 -11.739 6.030 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 -2.537 6.368 -13.311 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 0.494 -6.119 -6.618 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 17.310 -10.910 7.027 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 -2.795 21.423 -1.754 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 -5.942 1.727 -6.152 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 0.278 6.730 -3.513 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 -1.958 7.418 -9.065 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 3.859 -2.682 -0.845 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 -1.580 15.038 -13.093 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 -1.350 9.296 -18.127 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 -1.845 1.621 -0.905 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 -6.064 15.064 7.537 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 9.915 1.317 31.728 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 3.275 -2.739 3.871 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 7.031 -4.358 -15.427 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 47.159 -2.599 2.311 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 -1.309 -1.322 -3.115 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 2.534 -14.972 0.949 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 -7.471 -2.622 -18.551 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 6.023 -4.931 4.877 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 -21.383 -24.346 -19.251 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 16.531 5.486 -18.284 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 2.354 -2.199 0.561 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 -8.282 -21.104 -13.240 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 3.417 -22.880 14.985 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 0.509 -3.416 -0.606 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 1.578 -12.380 -1.554 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 1.934 5.926 1.727 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 -4.008 1.390 -4.255 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 -13.537 2.397 -13.945 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 10.243 -25.655 4.220 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 0.628 2.654 2.410 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 5.190 -11.502 -11.091 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 -2.489 15.737 15.408 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 -3.173 5.563 -1.953 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 17.996 18.026 -6.460 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 -10.788 9.042 -21.334 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 -0.232 -2.145 -6.376 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 -1.330 -5.256 -6.288 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 2.464 -1.655 -9.209 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 -3.342 -4.016 4.782 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 -19.683 -22.112 -6.095 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 -10.435 10.619 4.524 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 -1.832 2.484 2.232 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 13.729 16.793 -27.787 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 -20.728 -8.474 5.003 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 1.296 1.942 -0.316 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 3.545 4.994 -2.654 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 13.132 5.122 3.741 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 1.788 -7.267 -3.267 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 -7.715 -3.094 1.623 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 -10.241 16.096 5.805 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 -3.802 -4.963 -0.906 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 -6.768 -7.633 -9.043 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 -3.196 -12.078 -2.155 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 -0.510 1.397 4.908 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 6.001 -15.335 11.456 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 10.377 -2.382 13.173 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 6.158 -0.882 6.712 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 1.624 -5.247 9.506 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 30.950 2.463 11.000 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 -4.130 0.829 -2.177 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 -1.825 -3.133 0.982 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 -5.478 6.892 -2.563 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 0.831 2.142 3.339 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 -6.603 11.699 7.581 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 2.247 0.686 4.341 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 3.445 -1.771 -4.270 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 -3.752 9.766 -9.219 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 5.518 -0.114 -3.441 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 -1.014 5.629 0.272 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 -4.438 -9.742 -8.169 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 3.239 27.264 8.882 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 -6.765 -1.885 0.165 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 -8.507 0.275 -0.318 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 -7.629 27.159 -1.107 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 0.784 3.100 -7.694 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 11.293 6.607 -16.153 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 -1.233 5.153 6.390 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 -8.608 0.888 -0.760 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 -3.644 -1.840 1.089 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 -7.305 5.864 0.755 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 2.976 0.255 4.052 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 4.778 10.155 24.496 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 0.866 -6.238 2.532 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 -0.784 0.403 -0.913 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 -2.335 17.823 12.329 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 -12.594 -0.980 -12.204 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 -0.121 0.208 6.444 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 1.688 -14.395 0.494 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 -16.341 1.110 9.508 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 0.606 -0.371 -7.149 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 -13.174 -6.680 -36.877 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 5.105 6.328 5.275 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 -3.092 1.770 2.310 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 -0.085 1.710 3.229 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 1.782 4.524 5.820 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 2.271 7.250 -0.869 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 9.307 10.238 -2.303 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 -12.768 8.069 -11.239 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 -3.168 -6.401 0.032 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 8.213 10.312 22.641 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 24.910 3.322 11.846 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 1.542 0.101 7.914 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 9.719 2.300 -5.057 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 -10.064 3.926 23.770 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 0.939 3.313 1.219 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 -5.914 1.542 0.865 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 -20.489 -0.822 3.845 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 -1.546 3.781 0.273 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 -14.039 5.041 -14.358 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 -10.636 3.289 -9.919 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 3.901 1.322 0.512 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 -8.639 11.309 5.763 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 4.530 12.878 -9.863 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 1.962 5.827 -4.155 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 -7.086 12.441 -22.755 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 0.231 -12.870 14.748 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 2.664 1.316 2.853 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 8.959 2.501 -7.249 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 -1.156 6.125 -7.428 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 6.026 -0.388 1.249 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 19.042 -4.287 7.070 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 2.765 -15.094 20.170 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 3.129 5.240 -2.714 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 2.307 5.744 -4.740 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 1.043 7.167 -5.788 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 3.304 1.924 4.838 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 -4.445 7.367 -12.088 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 0.710 -3.538 15.812 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 3.140 0.093 -1.173 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 -7.199 1.214 -3.473 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 -5.267 1.003 -2.963 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 -1.908 6.387 7.182 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 0.071 25.847 -0.693 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 -3.970 -15.413 -7.584 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 1.039 -1.331 0.316 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 -4.041 20.056 14.020 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 9.610 3.629 7.448 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 1.287 -4.720 1.918 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 1.403 -2.059 19.383 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 4.566 24.863 14.735 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 -2.215 -1.858 -4.505 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 -19.263 -4.001 5.745 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 -7.532 -3.718 -0.591 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 -1.220 -8.450 -0.327 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 25.507 14.787 2.186 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 0.235 -7.984 -0.227 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 -3.109 -5.738 -0.819 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 11.216 -1.986 -4.319 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 -1.569 -5.938 6.633 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 2.959 1.865 4.919 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 -15.523 -4.265 13.432 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 14.245 -13.612 19.383 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 -2.846 6.281 0.448 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 19.095 11.571 8.545 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 20.982 17.031 9.752 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 -1.427 2.721 -3.869 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 -21.984 48.682 1.901 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 10.082 4.478 -21.988 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 1.285 -2.487 -0.042 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 -3.961 -12.249 -6.268 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 5.958 6.380 -14.427 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 -3.492 -8.111 -1.627 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 -6.943 -40.974 0.148 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 -1.724 13.829 -1.142 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 -6.064 -1.331 -2.681 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 -2.723 5.966 4.423 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 -11.300 -3.559 -5.741 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 -4.119 0.997 4.241 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 -3.130 -2.035 -10.546 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 -0.125 -4.968 1.964 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 1.967 3.947 -5.625 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 7.024 -23.399 7.354 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 6.533 5.700 11.371 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 -2.099 -3.636 0.136 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 -6.270 7.258 -9.639 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 -1.056 4.779 -21.467 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 3.768 -0.086 2.806 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 12.881 10.857 6.354 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 6.130 -28.492 4.793 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 -3.779 -2.821 -3.894 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 -1.034 -1.685 -5.919 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 3.258 2.254 -6.574 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 -2.442 -5.567 -0.098 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 -5.608 0.543 11.524 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 0.263 17.009 10.226 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 -1.903 -2.139 0.313 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 -5.951 -9.346 9.490 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 -27.217 -1.886 23.620 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 0.592 1.622 7.157 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 -14.496 -11.677 -16.012 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 -9.120 10.259 0.108 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 2.034 1.170 -2.451 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 13.014 14.617 -0.738 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 -5.365 -8.378 -2.634 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 -0.354 -2.505 9.180 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 -4.393 -6.135 6.456 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 -14.916 -11.329 -2.126 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 0.274 -5.203 -1.409 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 -7.708 9.808 -11.690 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 12.361 2.181 -23.438 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 -1.392 -0.542 1.322 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 -39.526 -2.356 9.735 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 1.369 8.429 -4.774 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 2.450 2.481 3.795 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 -5.264 5.207 11.815 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 13.976 8.166 -5.770 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 -7.614 4.293 0.838 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 -15.389 16.710 1.121 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 -0.542 -10.744 1.545 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 -8.419 2.360 -1.627 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 -5.845 -8.628 3.493 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 6.147 -10.748 -5.565 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 -4.727 3.673 -2.741 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 -8.458 -13.272 -11.172 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 14.484 -3.803 -16.905 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 -2.958 -1.229 2.989 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 0.778 -3.577 -5.541 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 -14.140 -3.241 7.020 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 1.757 -5.376 4.220 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 10.712 -1.437 5.894 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 3.695 9.005 1.946 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 2.095 3.421 0.961 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 -2.165 -4.352 -9.146 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 9.223 33.932 -19.491 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 3.723 -6.615 -7.652 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 11.366 0.735 -10.478 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 -0.359 -10.583 -6.905 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 6.670 4.572 -4.794 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 16.541 0.159 11.784 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 7.626 3.973 -3.185 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 -8.940 4.888 3.248 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 17.512 -24.376 13.703 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 3.183 9.589 -8.967 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 0.969 -0.893 1.078 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 -2.388 -5.028 0.607 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 -9.563 -1.255 -8.168 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 -2.563 7.438 2.474 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 -20.388 -21.359 -4.238 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 -10.024 -0.510 4.466 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 4.977 6.483 2.920 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 9.997 14.436 13.017 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 -8.527 -4.088 -4.858 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 6.995 5.125 -5.308 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 4.146 16.523 1.394 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 0.622 -10.601 -1.985 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 -2.539 2.682 -4.142 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 -1.506 -4.578 -0.547 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 -2.651 -2.659 -1.829 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 -1.208 -0.817 -1.461 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 9.927 14.251 18.251 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 -10.470 13.372 -10.400 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 0.773 -2.335 -0.784 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 -4.779 -3.411 -5.799 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 6.218 0.259 -10.168 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 -3.828 0.158 1.168 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 -3.183 -3.677 6.102 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 -12.480 -0.393 -15.126 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 0.638 2.095 -5.116 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 -8.649 5.039 0.080 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 -10.496 -1.256 -5.409 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 -3.504 4.695 -3.733 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 0.954 1.354 -13.342 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 -4.109 7.087 -0.888 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 -1.262 -0.222 2.693 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 -3.796 11.942 -2.766 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 -4.920 11.259 1.184 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 0.970 4.620 -6.890 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 -2.634 -14.615 -10.739 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 -8.462 6.685 -29.371 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 5.001 2.744 0.291 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 5.867 -13.865 -15.748 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 -3.333 0.357 17.041 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 6.141 -10.201 -5.475 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 4.668 -12.637 -3.158 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 7.916 -8.928 -4.935 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 0.662 -1.347 -6.985 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 0.314 -0.348 -7.263 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 -7.294 7.363 -11.501 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 1.273 -4.662 -2.426 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 18.894 3.705 13.687 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 -4.888 -9.337 13.375 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 -0.704 4.531 -0.929 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 -6.145 -10.867 -21.880 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 6.946 30.221 9.428 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 -1.477 -0.985 4.247 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 3.420 9.768 5.560 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 3.626 -1.849 3.652 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 4.774 -3.775 2.555 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 -6.361 4.995 15.624 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 -3.874 1.967 10.442 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 1.244 -3.896 3.903 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 -3.872 -6.051 15.189 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 -8.923 -7.204 -12.671 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 -0.938 4.350 -3.356 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 3.226 19.448 -1.558 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 5.951 -4.314 13.208 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 -10.039 3.398 -1.024 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 15.897 11.708 5.892 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 -12.677 -21.471 -28.322 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 -1.390 2.815 -4.386 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 2.696 -2.909 -4.494 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 -0.503 8.704 -3.695 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 -8.157 -1.381 1.224 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 -19.955 -2.367 -2.379 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 -3.157 -4.101 7.313 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 2.693 2.906 -1.649 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 12.164 6.489 -1.736 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 -23.488 0.045 -0.062 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 -3.034 1.860 -3.507 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 -7.852 -11.492 19.057 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 29.475 6.048 -6.162 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 0.202 -0.125 -0.816 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 -1.177 3.485 0.728 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 -9.335 21.141 6.810 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 -0.179 4.829 4.641 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 -10.136 -1.930 -8.940 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 14.009 -0.162 6.476 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 2.403 -0.164 1.555 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 0.477 22.874 -7.760 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 13.711 -14.131 6.523 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 -2.390 5.821 -0.813 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 -13.829 4.344 -0.205 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 1.147 -3.739 3.683 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 -1.523 4.440 -2.223 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 -9.844 6.302 4.822 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 16.160 10.867 16.422 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 -0.471 0.994 1.532 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 -1.777 9.611 13.381 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 -4.935 6.393 -1.767 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 -1.063 -0.670 2.183 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 -2.008 2.447 2.347 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 -2.967 -2.538 -0.686 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 -3.091 2.103 0.304 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 -10.724 20.161 -0.729 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 0.920 -11.799 -15.977 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 -1.087 -4.244 -4.026 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 0.626 4.377 1.604 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 -1.681 -6.417 -6.793 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 -1.806 2.896 0.885 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 2.792 12.998 2.745 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 8.827 -7.372 -21.226 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 5.203 3.598 -3.925 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 -9.017 -11.405 4.762 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 -5.516 0.296 4.611 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 -0.629 -2.650 3.497 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 -3.361 37.619 14.326 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 22.229 -15.549 -23.777 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 -5.750 -6.794 8.221 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 6.575 -6.835 12.638 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 -5.934 17.589 -5.501 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 -1.763 -6.376 2.140 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 -25.201 7.298 9.452 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 6.575 -6.893 2.907 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 1.712 -5.702 1.093 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 5.608 -6.709 -2.745 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 0.052 -10.532 1.282 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 -0.405 -2.557 -4.888 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 -6.344 -19.527 -3.213 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 -25.035 11.772 -0.978 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 1.650 -5.996 -2.680 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 -10.140 46.229 -12.472 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 24.923 19.920 -7.517 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 4.888 2.090 -2.581 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 1.288 4.197 -2.304 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 -13.412 -19.178 -6.558 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 -0.273 -1.891 -8.990 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 -21.117 1.750 -6.509 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 8.317 3.049 -20.024 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 8.346 1.052 -0.628 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 -17.758 15.320 -13.725 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 12.964 16.194 5.875 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 1.430 0.030 -3.164 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 -5.676 0.241 -5.826 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 8.810 -11.730 1.394 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 5.266 -0.892 2.556 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 9.618 -1.638 -2.706 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 1.810 -10.436 -12.284 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 -1.429 -2.179 0.716 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 0.057 -10.729 5.652 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 -1.284 -5.466 -2.413 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 -4.907 6.448 3.860 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 -16.964 2.820 -4.658 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 -8.666 2.570 30.858 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 -3.401 -2.457 -1.497 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 2.094 4.015 11.388 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 24.776 8.349 -1.147 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 -0.093 2.938 -3.825 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 4.507 -18.958 -4.933 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 -15.571 9.644 -17.423 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 -2.202 -6.900 -2.625 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 18.282 -13.832 -10.324 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 4.952 -13.197 2.101 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 -5.007 2.694 3.529 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 1.571 -13.006 -0.025 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 3.392 -5.374 9.592 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 0.124 -2.330 -7.837 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 0.820 3.393 -0.376 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 3.684 -9.753 -11.283 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 -0.058 -2.451 0.657 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 0.747 -2.046 -12.713 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 2.859 -15.876 -0.605 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 1.786 1.064 -4.032 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 -10.755 0.293 10.307 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 10.272 -1.924 -9.693 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 2.848 2.285 -6.198 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 7.788 -5.132 -16.329 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 -0.745 8.796 11.649 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 -4.990 5.215 3.879 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 2.519 -1.436 -7.079 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 -23.624 -0.653 16.092 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 0.816 1.729 2.707 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 -2.220 -13.164 -6.807 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 11.858 25.542 14.887 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 -0.330 3.055 -3.459 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 -15.141 -16.464 1.738 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 -11.428 -4.384 7.241 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 -2.300 -2.419 1.002 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 0.431 2.576 4.351 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 -0.565 -32.827 3.661 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 1.718 2.607 -0.426 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 6.709 6.318 -3.147 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 0.044 1.224 -4.816 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 4.207 0.774 -5.872 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 -10.313 3.234 11.491 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 22.192 1.855 14.791 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 1.596 -5.324 2.270 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 5.930 4.662 -7.274 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 19.788 1.252 -15.037 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 1.370 2.944 0.691 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 -4.860 -16.934 4.226 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 2.236 -10.209 0.409 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 3.327 -6.583 1.955 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 15.260 -5.894 9.119 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 13.549 -2.356 11.745 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 -0.763 5.691 6.506 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 16.447 7.294 2.264 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 -7.396 6.854 10.432 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 1.052 -1.530 1.736 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 -1.599 1.933 -8.178 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 -11.592 -0.479 9.012 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 9.435 -8.749 2.869 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 -3.303 -19.204 -23.521 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 10.371 -10.937 13.236 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 -8.552 3.534 0.310 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 -0.969 5.109 16.874 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 -28.528 3.832 -27.136 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 3.038 3.856 -0.835 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 -3.146 -8.707 -3.407 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 -15.512 8.982 10.632 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 -2.800 6.500 -3.642 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 9.835 2.213 -10.327 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 7.736 -4.106 11.350 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 -1.220 -0.156 -1.007 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 14.289 -13.132 2.612 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 -17.541 -11.222 0.815 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 3.986 3.416 -0.400 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 12.858 43.780 22.865 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 3.611 -13.007 3.664 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 -4.594 -5.561 6.977 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 -8.653 8.164 4.617 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 -12.395 3.794 0.701 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 -5.119 2.865 2.472 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 -5.352 -24.317 4.888 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 -19.935 13.452 24.050 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 -0.408 5.078 5.482 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 -14.271 17.331 0.008 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 -3.178 -9.023 -8.870 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 -1.864 -0.775 -3.395 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 3.702 -2.222 -7.380 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 13.717 -22.684 -17.876 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 -3.640 1.560 4.261 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 10.790 -14.391 -2.431 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 24.202 10.645 -21.797 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 -4.907 -1.077 0.969 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 -9.505 -1.036 -0.334 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 14.246 -3.547 16.961 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 -3.232 -3.937 2.408 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 -0.664 -11.576 14.887 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 -32.384 5.307 -8.325 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 1.386 2.074 2.209 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 12.085 -13.632 -8.127 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 9.749 -10.137 -6.209 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 3.354 -6.594 -6.179 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 6.832 -4.127 -8.196 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 5.466 -6.598 -13.301 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 0.935 3.271 -4.788 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 -8.943 -7.353 3.089 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 16.251 9.863 4.917 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 -6.572 4.676 -1.490 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 25.357 7.968 1.009 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 -28.516 18.973 -8.601 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 -3.306 -3.187 -4.748 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 0.923 -19.189 17.942 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 -30.522 -4.002 16.462 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 -3.225 3.169 -3.936 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 1.814 -5.406 -15.550 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 -4.198 -4.387 10.211 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 4.520 4.587 -0.799 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 0.150 17.105 -3.870 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 16.316 -19.993 5.370 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 5.080 8.348 0.555 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 -0.209 8.738 7.375 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 2.424 8.715 4.254 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 -0.728 -4.370 4.848 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 -7.477 -7.715 -6.970 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 4.674 -5.374 9.441 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 -4.558 -3.047 -6.597 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 -1.473 -17.016 -0.752 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 8.737 9.641 2.893 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 3.925 -1.362 4.791 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 5.497 17.056 -2.633 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 0.217 -11.296 16.335 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 -2.402 2.429 5.777 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 7.177 9.220 10.839 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 -3.210 1.267 4.226 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 -2.371 2.897 3.104 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 -4.147 0.093 -5.133 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 -11.010 -8.111 6.991 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 0.986 -0.499 -1.436 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 -3.414 -0.255 1.840 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 1.785 -1.113 -2.187 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 1.199 5.037 0.682 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 13.069 3.601 8.936 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 -15.842 8.193 -8.074 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 1.413 -6.127 4.530 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 0.511 -5.730 16.293 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 -0.555 -13.955 -18.159 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 2.911 -1.602 -0.895 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 -1.960 -11.707 2.996 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 2.288 -17.620 5.411 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 1.057 -0.174 -0.722 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 -18.621 -10.122 15.445 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 9.952 0.768 -1.745 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 -0.151 -1.903 1.556 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 -18.597 2.313 -23.178 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 4.043 14.136 8.655 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 -3.689 2.267 -4.649 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 17.050 -30.833 8.884 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 -25.845 -5.155 19.883 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 0.014 -3.086 1.896 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 -8.232 10.118 -8.487 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 -19.186 16.858 -8.723 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 -3.299 0.789 -2.798 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 4.198 2.775 7.272 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 -5.157 7.175 13.581 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 -7.200 -4.474 -1.120 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 -19.821 -19.547 -7.945 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 -12.495 -17.383 -1.073 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 0.801 -1.373 -2.075 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 0.326 4.374 9.306 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 -10.719 -6.687 -3.215 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 -6.207 -2.637 4.257 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 -13.594 -8.372 7.755 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 -8.561 7.832 8.099 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 6.997 -6.438 5.408 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 12.849 11.413 21.492 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 6.563 -3.743 8.722 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 -0.459 -2.056 2.887 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 -15.255 -0.921 -4.326 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 -4.611 1.978 -1.921 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 -2.252 0.793 -4.765 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 4.069 -7.460 0.488 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 -1.337 -2.790 -12.238 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 -2.113 -3.523 3.614 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 -8.463 8.047 -6.963 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 -7.918 10.466 0.095 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 2.996 2.810 -1.061 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 -16.915 4.265 13.421 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 13.695 17.846 -19.636 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 -3.060 0.628 0.251 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 2.574 0.039 -12.672 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 -6.895 5.939 -1.006 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 1.212 6.469 5.521 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 -2.619 -16.535 -8.378 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 -5.500 3.520 6.564 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 -1.178 4.504 4.735 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 16.627 8.804 6.093 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 8.804 12.437 7.407 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 12.867 -11.135 -5.188 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 2.699 -2.247 -1.887 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 11.379 0.025 -4.680 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 3.202 1.335 -0.660 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 4.627 -15.520 20.314 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 0.012 2.429 -3.053 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 0.582 -0.421 4.503 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 -18.042 -25.448 -2.963 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 12.531 -1.884 -0.111 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 4.170 -2.377 -8.059 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 18.925 -1.602 30.898 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 -23.090 -5.696 -24.240 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 -0.750 -2.023 -6.654 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 9.639 -13.561 6.166 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 -16.279 14.689 -25.684 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 -4.656 -1.468 -1.990 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 -6.249 -3.804 -6.059 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 -1.498 8.180 -9.700 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 -0.471 -3.235 2.506 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 2.864 8.938 1.891 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 -2.239 8.235 7.844 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 -0.999 -1.537 1.690 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 -10.035 -24.530 -8.499 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 -11.845 14.844 -0.946 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 -8.789 -4.587 1.802 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 11.708 -24.441 32.411 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 -21.611 -2.603 -14.902 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 0.892 -0.522 -5.219 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 2.394 5.099 2.697 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 6.034 0.726 -0.829 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 4.591 0.132 0.008 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 13.649 10.046 -8.826 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 -1.828 -10.637 15.892 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 4.978 -2.343 -2.428 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 12.608 4.332 -6.042 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 -5.560 1.132 1.732 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 1.300 -1.471 9.601 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 -11.086 -19.644 -5.989 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 17.090 -11.343 14.223 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 5.652 2.718 3.301 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 5.846 13.546 1.717 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 2.370 -1.810 7.992 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 -2.501 4.620 4.616 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 -35.153 -4.062 6.232 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 11.707 -3.991 -7.615 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 -3.861 -3.259 3.873 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 3.185 -8.943 -6.367 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 18.688 -12.622 -10.505 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 -6.408 7.242 -2.481 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 -0.043 7.552 -2.473 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 27.018 14.204 -1.547 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 -2.813 -5.967 3.202 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 -9.710 -3.479 -14.629 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 -6.607 -7.390 2.656 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 -1.619 -0.444 -0.171 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 -8.433 9.395 -0.423 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 -2.497 1.756 -0.195 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 -0.764 -0.970 7.046 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 15.692 0.010 -1.156 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 3.245 14.170 -0.456 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 -0.430 -4.294 1.707 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 8.718 18.871 11.171 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 -1.168 -6.856 -1.072 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 2.598 9.211 -7.424 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 -2.940 14.455 -3.150 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 18.278 19.598 -7.359 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 -3.222 -0.626 -1.156 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 -9.612 0.370 -20.788 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 26.456 -8.214 14.920 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 -3.449 4.859 -1.949 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 3.351 -1.394 -13.817 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 -9.521 10.427 11.617 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 -5.075 3.281 10.107 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 -6.333 19.801 9.307 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 -3.990 5.494 3.783 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 1.771 0.992 -0.720 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 -1.420 12.380 -0.807 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 11.861 -9.821 24.435 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 -0.920 -0.795 1.376 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 -2.086 0.804 15.305 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 -9.982 -12.941 -12.768 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 5.240 -4.263 3.435 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 12.132 -3.587 9.194 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 6.850 11.350 7.688 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 -6.345 1.632 7.032 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 9.284 -11.139 -6.927 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 0.316 7.837 15.454 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 2.956 2.231 0.297 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 -10.743 -14.347 -15.351 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 29.291 -2.607 -4.853 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 -1.771 7.537 -3.206 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 -11.564 4.457 21.530 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 19.320 27.164 -7.162 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 0.039 0.682 -4.470 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 -0.309 -6.742 -0.784 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 1.447 -16.376 2.758 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 -3.184 2.439 -4.341 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 4.293 -7.938 -3.947 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 -12.678 -0.163 1.932 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 2.608 0.903 -5.813 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 10.668 0.240 -4.827 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 -16.995 -0.305 6.211 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 -8.910 -8.665 1.462 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 4.320 -9.585 22.047 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 12.430 -13.741 13.442 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 1.514 -1.575 5.461 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 2.798 -1.459 -11.363 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 11.643 -10.923 21.995 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 4.863 -2.882 -4.713 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 6.903 -12.189 3.004 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 -5.096 5.331 -14.472 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 -1.232 7.841 3.321 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 -9.688 13.472 8.885 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 3.763 5.186 -5.912 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 2.448 -3.008 6.157 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 5.340 3.757 -4.162 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 -6.531 -4.687 6.602 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 -3.639 -0.562 1.352 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 8.144 11.044 9.104 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 11.299 -14.964 2.682 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 -1.621 -8.607 -5.791 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 0.223 -15.579 9.360 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 -4.953 6.093 -5.128 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 4.004 -3.364 3.908 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 -4.104 -5.393 10.685 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 9.890 -6.571 -5.748 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 -4.265 0.440 -0.736 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 -4.962 -12.632 -12.613 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 -0.308 13.126 -2.312 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 2.933 6.655 -1.079 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 1.115 -7.253 -7.975 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 -2.112 -4.365 6.946 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 -1.665 4.505 -1.533 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 16.136 -3.625 -11.084 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 -13.139 9.976 -6.762 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 -3.121 0.604 -0.895 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 -0.338 9.202 9.652 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 -12.413 11.685 4.941 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 -0.911 -3.081 -4.213 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 -13.009 -1.620 1.909 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 2.793 -20.346 -1.901 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 1.339 0.660 2.931 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 -8.918 -15.291 -19.171 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 -12.083 -16.011 -18.429 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 -0.264 4.891 4.653 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 2.532 21.961 13.777 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 -19.585 38.486 -3.210 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 3.401 -4.514 -4.137 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 1.034 9.465 0.366 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 2.953 -1.659 -2.867 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 4.698 0.324 2.685 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 20.762 11.592 16.235 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 -4.385 14.828 10.489 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 -4.413 -5.016 1.008 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 14.450 7.556 1.883 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 -6.647 -1.596 -2.694 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 5.893 -0.402 -0.799 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 -0.358 -12.963 -32.555 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 -10.575 -16.222 -23.414 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 -0.544 1.135 2.311 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 -6.316 -0.476 9.096 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 13.763 -0.803 10.846 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 3.119 -0.616 5.192 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 0.538 -2.523 7.319 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 5.113 15.702 0.738 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 2.915 -0.976 2.657 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 4.859 4.857 -11.973 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 15.621 -2.759 7.543 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 -4.954 -3.180 -1.698 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 -13.987 14.144 6.582 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 -16.018 9.489 11.140 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 -2.246 2.727 -2.524 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 -1.748 21.144 -26.960 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 12.070 -30.415 -7.951 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 4.134 1.482 4.326 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 7.318 -2.256 4.085 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 3.353 0.485 5.511 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 5.428 0.543 -2.534 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 -3.452 -15.545 6.698 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 -2.139 -14.341 -5.841 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 -5.801 -1.262 -1.776 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 25.129 -14.951 -24.532 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 -10.983 6.778 13.748 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 5.177 -0.501 1.163 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 12.427 13.072 -7.034 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 9.946 13.047 -7.928 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 4.366 0.743 1.566 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 -20.271 13.542 -2.408 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 8.013 2.336 2.314 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 1.764 0.814 3.918 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 4.167 3.679 0.888 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 8.424 -30.376 -14.337 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 -1.947 -0.831 -3.528 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 -1.207 -0.203 -6.273 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 -1.842 -2.293 -0.128 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 -1.046 1.679 -2.226 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 -1.972 -0.156 -3.480 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 9.900 -8.365 11.792 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 3.480 2.019 0.528 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 -9.596 5.529 -3.861 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 23.256 -13.187 -14.778 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 -3.353 0.505 -7.870 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 4.056 0.932 -11.412 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 6.825 6.001 -18.848 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 4.202 -3.298 0.178 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 -1.223 -19.912 -1.135 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 1.001 6.222 -8.576 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 -0.985 -4.159 6.632 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 -11.379 -0.781 0.726 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 -11.263 4.528 12.294 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 -5.264 2.283 2.371 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 -4.434 2.976 0.684 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 3.784 13.597 -9.210 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 -5.478 -3.384 -2.656 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 -11.335 -19.633 -4.296 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 -13.847 7.557 -4.215 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 -0.467 2.339 -0.887 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 -11.156 -6.653 -15.860 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 15.983 -3.263 -0.698 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 -4.117 -4.869 5.575 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 -8.102 -7.127 -5.089 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 -1.864 6.984 19.018 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 -6.063 -0.765 -0.047 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 2.519 1.830 -6.741 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 -12.803 19.437 -0.298 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 -7.180 -4.608 4.206 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 -7.653 8.927 15.149 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 6.305 -14.111 8.766 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 -1.890 -5.029 -3.221 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 -2.527 6.816 0.186 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 -0.344 12.664 -11.340 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 -2.246 -7.201 0.090 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 9.784 -15.364 -5.193 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 -8.716 5.045 11.357 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 4.195 -1.270 -3.632 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 -9.548 -2.284 2.499 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 -1.586 -10.668 -19.721 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 4.814 1.388 -0.878 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 6.918 -1.253 3.566 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 3.535 0.620 -0.737 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 -2.656 -5.114 7.718 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 5.258 11.241 20.543 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 4.780 -5.386 1.723 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 6.488 0.535 -0.018 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 14.426 -3.293 -0.481 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 14.286 -2.961 0.554 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 -1.673 -4.176 0.339 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 -8.105 -11.538 -5.081 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 2.410 -3.051 13.624 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 -0.831 -1.493 0.238 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 -4.851 1.785 -3.609 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 9.153 5.399 6.100 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 1.378 8.583 -5.924 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 -12.491 25.066 -5.789 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 5.443 -12.248 -1.409 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 2.578 2.945 2.822 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 -5.067 -5.588 14.800 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 -1.206 -10.885 -8.250 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 2.259 1.074 -0.984 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 5.242 -12.110 0.644 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 -4.837 10.282 0.513 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 -2.766 4.317 -3.226 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 -4.479 -0.158 2.025 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 -10.803 -0.285 -9.913 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 2.413 -2.919 0.943 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 13.348 -1.208 -6.273 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 10.935 6.945 -1.795 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 -2.287 6.943 1.624 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 -3.412 15.007 8.033 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 -3.173 4.354 2.530 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 0.739 3.396 -5.350 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 -17.265 -3.801 4.657 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 10.072 -4.939 -13.042 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 0.700 1.974 6.563 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 9.023 -17.157 14.597 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 -14.167 -8.725 -3.264 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 2.758 0.021 -1.609 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 11.762 3.543 -18.261 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 -9.426 -1.107 25.064 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 -1.773 -1.219 2.536 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 3.654 -8.918 -37.826 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 -0.888 -6.456 -9.250 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 4.459 8.315 4.482 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 0.063 -19.961 4.012 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 1.323 -8.149 5.658 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 1.018 -1.020 -3.851 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 7.807 12.605 17.756 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 8.356 9.572 -11.247 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 -2.198 0.655 -3.779 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 -7.632 2.295 -3.344 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 -16.064 -1.011 1.592 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 -1.808 -2.671 3.818 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 -3.744 -13.008 -1.329 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 0.466 -12.829 12.146 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 -2.764 0.272 -3.387 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 -5.870 7.955 -8.144 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 -13.215 -12.305 -4.054 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 8.197 -2.986 2.783 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 -8.880 0.209 -4.999 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 -7.137 -1.831 0.804 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 1.676 2.516 -0.714 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 19.838 0.360 7.247 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 -29.131 -23.687 -6.611 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 1.228 -3.978 -6.225 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 -5.041 -6.687 -13.624 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 13.880 -6.517 -6.686 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 -0.547 6.336 5.868 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 -8.059 -3.656 -0.408 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 1.785 -8.416 -11.001 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 5.445 -5.790 1.347 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 -3.749 14.082 18.631 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 6.951 0.235 -13.733 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 -3.856 -0.649 1.424 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 9.132 0.279 -2.673 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 -9.941 2.678 6.996 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 1.124 3.387 0.457 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 -8.274 -28.153 0.433 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 -16.164 -5.149 -1.293 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 -6.018 3.211 11.927 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 0.183 -3.961 2.526 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 -5.076 16.438 3.749 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 0.834 0.178 -4.753 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 -9.127 -14.316 -13.403 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 5.766 -4.095 -25.229 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 4.517 1.324 -4.442 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 2.805 15.118 5.240 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 3.562 -0.230 -3.480 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 -0.855 -2.213 1.824 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 6.602 3.917 -3.478 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 11.143 -0.870 -8.042 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 0.129 -6.530 -0.433 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 -0.323 11.238 -9.545 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 -6.096 -0.201 25.831 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 3.193 -4.076 -0.537 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 2.606 -17.683 -17.381 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 -3.978 11.361 -5.825 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 -1.154 0.320 -1.164 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 -2.759 -5.926 0.995 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 5.818 -3.254 -9.920 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 6.200 -5.210 6.343 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 5.162 -1.025 10.024 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 9.992 -4.286 4.781 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 1.911 5.597 -4.581 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 -9.300 -21.630 2.014 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 -6.006 5.839 -1.844 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 2.687 -6.660 -3.084 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 3.247 -12.281 0.462 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 -2.133 -7.964 -3.242 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 0.684 2.771 3.680 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 -10.294 -2.122 9.966 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 4.658 -11.499 -15.260 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 3.747 0.196 -2.069 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 12.932 14.363 -1.336 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 1.887 1.180 4.854 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 1.983 -3.419 0.877 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 6.112 15.299 4.821 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 -22.956 17.710 -10.053 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 -1.787 -2.336 -0.746 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 30.585 -9.126 18.533 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 6.321 22.092 -4.394 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 0.434 -1.721 4.699 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 -28.197 23.643 -11.665 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 -0.926 -6.243 6.603 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 -4.751 0.195 -2.926 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 11.679 5.265 -4.690 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 2.563 -12.364 -4.111 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 4.787 -0.097 0.707 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 3.756 -3.177 -9.165 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 12.237 -14.630 5.584 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 2.451 2.591 4.661 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 -6.696 3.972 7.234 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 -2.213 1.851 7.002 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 0.013 0.324 -2.734 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 -1.580 15.898 -7.503 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 6.939 13.128 -1.339 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 3.629 2.633 -1.607 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 3.467 -1.421 -6.994 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 3.755 -2.882 3.846 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 -3.566 0.919 -2.137 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 9.658 -15.298 24.306 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 -8.614 15.604 7.545 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 2.279 9.646 4.118 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 1.913 6.077 11.015 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 -7.613 -2.298 -7.765 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 4.401 -2.630 -7.681 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 13.423 13.700 8.711 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 33.700 2.935 3.613 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 -1.765 3.159 -3.119 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 -23.223 -5.872 -21.308 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 14.646 -21.110 2.827 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 2.234 3.656 -4.089 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 18.788 -5.218 13.615 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 11.556 -8.642 5.323 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 -1.673 -1.222 2.739 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 -18.248 -22.167 -3.290 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 5.519 -2.269 9.790 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 -4.765 -3.825 0.638 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 -9.919 9.694 -9.450 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 -10.964 -10.208 7.854 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 1.514 0.705 5.080 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 4.069 13.659 19.191 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 1.643 0.507 -13.798 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 4.081 2.361 -7.108 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 12.364 1.677 -12.699 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 18.316 -3.929 -9.877 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 -2.256 3.111 -5.816 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 1.824 6.262 -12.207 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 -13.230 4.009 -8.058 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 -5.479 0.543 0.713 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 22.016 -6.764 10.206 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 29.507 -8.991 -2.852 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 4.244 -1.022 4.829 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 -17.159 -20.234 39.470 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 5.253 5.865 -1.182 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 -8.531 2.007 6.758 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 -9.189 -0.732 11.690 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 -7.208 5.994 -1.368 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 1.160 9.863 -3.889 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 -13.495 -3.983 -1.265 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 -13.257 -7.810 13.358 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 -4.715 1.598 0.679 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 4.199 -12.671 11.822 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 -5.415 11.207 -9.582 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 7.483 4.321 -0.717 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 6.142 2.682 -8.375 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 1.036 6.477 -1.917 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 -5.395 -3.444 -10.073 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 12.199 -24.220 -19.611 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 -8.076 0.817 -9.326 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 1.338 -3.525 1.061 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 -2.196 11.942 1.539 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 -18.229 -9.979 -1.384 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 2.898 -4.029 -0.820 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 17.142 11.655 -2.985 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 -0.899 -2.696 17.836 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 -1.208 -2.523 6.692 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 -5.132 7.938 8.461 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 11.134 -19.215 11.333 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 7.795 6.265 6.781 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 -7.127 5.149 7.810 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 14.365 6.579 4.289 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 -6.049 -0.038 0.827 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 -8.164 -20.621 1.181 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 3.821 9.265 -15.337 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 -4.948 2.761 0.402 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 -20.589 6.961 -8.725 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 7.832 -0.886 -17.830 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 0.165 -5.496 11.834 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 12.570 6.853 5.075 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 -3.863 -9.382 9.045 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 -0.124 -3.540 -2.507 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 -6.481 27.898 5.160 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 -33.536 -1.809 -23.194 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 -8.024 -5.491 2.768 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 -11.666 -5.137 2.919 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 0.053 -17.218 -20.119 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 -2.559 0.413 5.691 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 0.156 28.885 9.548 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 19.882 -8.752 -3.678 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 -2.920 1.186 -0.356 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 -0.166 11.757 3.861 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 -10.556 21.649 4.926 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 3.539 0.155 -3.357 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 17.524 2.315 8.601 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 13.986 7.447 -25.270 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 -6.016 -5.169 -7.476 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 -10.918 4.290 -6.542 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 -3.409 -13.890 -6.879 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 -2.867 7.563 -3.881 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 -3.826 7.069 31.250 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 -6.046 6.844 -10.618 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 5.626 -4.399 -2.342 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 30.888 14.765 -39.267 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 1.017 3.422 -18.966 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 4.233 0.981 1.250 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 8.337 -2.920 12.785 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 -5.674 -10.442 -5.497 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 2.810 1.225 -0.153 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 6.569 -0.646 -1.882 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 -1.264 4.767 1.223 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 4.009 3.264 3.999 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 -5.774 7.739 -13.035 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 11.947 -7.695 8.741 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 4.627 -4.503 -2.533 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 4.347 1.194 9.865 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 -0.054 2.583 13.668 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 -2.424 0.801 0.316 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 -3.345 0.132 1.627 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 -16.143 3.983 4.057 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 5.961 2.047 -1.244 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 8.401 15.293 -13.949 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 -9.147 -8.344 -7.317 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 2.279 -6.578 -0.258 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 -4.198 -0.667 -3.390 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 8.174 -12.703 4.781 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 0.984 0.149 -0.632 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 4.848 19.829 -10.961 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 4.373 -14.469 -6.173 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 3.437 -0.754 4.524 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 4.916 -6.982 13.014 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 -9.871 2.845 -15.159 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 0.482 -3.202 -5.732 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 -8.910 -18.664 -1.665 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 4.405 18.660 -1.451 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 -0.816 4.034 3.108 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 -37.356 4.604 -2.622 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 -1.230 -2.959 9.559 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 2.724 8.533 -1.683 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 5.558 12.027 -2.100 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 2.178 -5.262 -29.867 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 7.054 6.748 3.782 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 -0.773 12.928 28.301 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 -14.197 6.740 -0.769 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 -0.742 1.486 7.812 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 -5.876 2.315 -3.013 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 2.398 -12.584 12.576 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 -2.737 4.699 2.067 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 2.898 -20.734 7.777 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 -2.503 46.426 -14.265 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 -2.357 -2.097 2.062 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 3.444 6.306 14.287 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 -6.703 -4.066 4.649 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 0.801 0.721 -5.005 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 19.144 2.272 -8.505 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 -35.989 -2.036 0.301 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 -2.062 3.738 6.634 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 -1.670 8.781 3.455 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 8.994 -4.075 13.972 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 -4.170 -5.108 0.409 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 20.388 -9.858 -15.202 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 -14.623 -1.610 11.400 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 1.812 3.922 2.946 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 13.925 25.463 28.769 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 -7.637 -11.197 -16.385 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 8.777 -0.202 0.655 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 8.904 -3.670 13.558 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 -4.477 -7.998 6.618 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 2.878 -1.069 -7.302 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 -5.417 4.204 -2.217 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 -12.043 8.442 -0.928 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 -5.011 5.475 5.188 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 1.309 5.053 -6.231 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 -5.037 8.735 11.006 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 3.853 1.421 -0.383 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 0.641 7.017 2.277 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 -3.249 -0.011 -7.108 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 -2.161 -3.580 -3.218 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 -3.693 -4.803 -17.053 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 -9.711 5.845 -3.643 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 0.902 -2.298 -5.211 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 17.944 0.361 -15.307 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 2.464 -1.242 -5.450 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 -1.713 0.212 7.352 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 -21.453 -7.148 -22.650 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 -3.196 12.515 -8.100 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 -2.230 7.781 2.095 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 -4.420 16.649 4.048 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 10.054 18.859 -0.894 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 -9.185 -4.235 -0.698 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 -12.128 -9.064 3.593 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 21.843 9.253 23.125 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 7.003 -2.896 -1.932 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 -0.589 -17.638 1.756 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 15.788 21.877 -5.974 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 -5.665 -2.441 1.215 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 -6.127 0.609 6.741 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 -14.967 -0.332 -3.026 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 -0.076 -3.284 4.300 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 -2.718 -2.711 31.415 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 -31.577 -5.657 8.366 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 -6.689 -2.683 -3.155 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 25.813 -11.003 7.315 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 3.284 2.517 -17.221 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 -1.156 0.424 0.147 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 -3.103 2.256 -0.435 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 9.981 -7.089 -0.088 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 -5.759 -0.863 4.331 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 -6.398 -7.088 4.954 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 5.390 22.929 20.703 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 3.240 -0.900 -2.257 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 -8.035 -3.127 -12.665 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 3.649 0.422 9.342 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 -0.820 4.782 -9.282 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 6.762 -5.127 -0.452 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 6.262 -7.446 -2.749 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 -6.054 -3.426 -0.226 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 18.989 5.333 28.583 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 -23.252 -14.877 -14.264 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 -0.489 -0.334 5.124 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 8.491 -1.204 -1.713 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 -8.062 -4.105 7.114 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 8.364 -4.082 1.545 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 16.489 -13.295 -5.418 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 5.598 -3.101 4.138 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 -2.462 -5.265 -1.077 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 1.523 -22.416 15.424 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 -11.425 11.231 16.808 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 -0.195 -4.206 -4.989 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 -16.946 -25.061 22.452 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 -2.007 -6.071 9.395 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 -4.603 1.795 -6.283 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 -5.653 11.995 3.765 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 1.736 -2.836 -26.552 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 -3.485 -4.328 -1.545 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 -4.865 -0.114 8.737 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 -9.068 -5.931 -6.258 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 -9.102 0.763 -6.002 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 9.674 -5.638 -6.097 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 2.154 7.089 -13.027 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 -3.314 4.581 -1.934 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 -6.760 2.134 3.766 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 -15.019 -1.429 8.342 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 0.394 0.006 2.724 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 1.294 -5.925 -13.035 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 -7.156 -4.654 22.462 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 0.971 -5.230 1.932 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 9.356 12.572 3.431 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 0.786 -12.076 -1.124 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 1.767 -0.698 3.562 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 6.221 0.219 4.421 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 0.781 1.304 -0.979 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 5.687 3.408 3.826 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 6.853 15.174 7.592 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 -5.436 1.353 5.141 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 -1.786 5.810 6.136 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 0.243 -0.503 16.824 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 7.531 0.071 -19.106 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 -4.851 -2.946 1.918 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 27.183 -4.654 0.626 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 1.973 -1.684 11.923 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 -2.494 3.144 5.562 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 -3.811 10.813 -6.234 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 -15.730 3.850 16.130 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 2.575 -0.618 3.901 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 0.025 -6.918 -2.364 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 2.327 -3.300 1.166 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 3.469 3.568 1.722 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 1.909 15.677 2.351 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 9.002 -14.908 -1.829 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 3.149 0.183 4.852 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 1.827 -7.398 -0.179 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 11.069 18.414 20.450 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 0.105 7.104 1.334 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 -10.521 38.097 -10.149 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 -17.609 -8.993 2.470 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 -7.306 3.937 3.144 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 19.035 4.714 13.313 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 -22.128 -11.153 -25.577 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 -2.477 3.953 5.376 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 -6.953 7.781 7.149 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 -15.721 -12.093 20.657 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 -0.536 -7.553 0.137 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 22.665 -13.524 19.017 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 -8.344 -11.304 9.158 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 -0.942 1.796 -0.772 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 -24.551 -5.918 16.229 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 -4.357 7.254 -5.906 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 1.470 10.704 5.103 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 -2.841 -1.315 5.860 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 14.294 8.435 7.092 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 1.728 -1.381 -3.446 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 -14.711 16.066 -0.427 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 22.334 -6.341 -4.111 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 -3.976 -0.564 1.286 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 -18.300 17.320 0.403 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 -19.224 19.810 -7.210 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 0.877 2.898 -9.401 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 -12.204 12.150 -1.622 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 14.790 7.922 -18.306 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 3.377 0.289 -5.803 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 0.864 -12.541 10.377 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 7.391 1.695 11.693 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 1.463 -6.904 -7.574 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 1.502 1.302 22.873 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 0.189 24.222 1.949 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 2.517 3.583 5.057 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 -1.746 -20.942 1.513 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 26.071 9.894 9.368 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 0.088 8.759 1.046 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 9.334 28.054 -10.076 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 11.517 2.087 2.814 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 -1.579 -1.185 -6.601 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 -38.915 22.553 -57.884 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 -3.068 0.849 -16.146 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 2.386 2.221 -0.276 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 -4.206 13.778 -9.708 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 5.689 -13.879 1.760 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 5.313 6.093 2.398 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 3.756 1.942 5.308 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 14.272 21.144 -2.942 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 2.878 0.427 5.801 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 -6.987 6.124 15.053 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 3.669 2.250 3.786 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 -2.381 2.673 5.968 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 -11.572 -0.363 19.145 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 3.714 0.538 10.163 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 -1.303 0.110 -4.819 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 9.811 3.529 9.857 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 -15.826 5.911 -8.919 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 -4.561 8.815 -3.519 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 29.801 3.667 23.759 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 8.000 8.422 -10.064 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 3.944 5.294 1.797 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 0.499 7.080 9.389 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 12.704 -2.463 -18.475 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 1.196 -2.535 -5.847 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 -35.110 17.923 25.390 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 -18.742 3.524 -16.399 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 8.601 3.196 3.666 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 7.008 4.107 4.255 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 8.984 1.636 4.767 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 0.015 -0.871 4.180 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 -13.488 25.773 7.814 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 -9.396 14.465 -10.060 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 -1.701 6.691 1.658 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 -17.514 8.353 17.764 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 13.019 4.789 -16.039 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 3.856 2.936 6.378 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 1.954 9.732 -27.469 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 6.142 9.034 -19.947 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 -7.341 -1.726 2.927 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 0.243 -5.011 3.670 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 -34.571 0.105 17.111 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 -0.288 4.886 9.833 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 7.496 -15.031 -0.171 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 -19.424 -1.036 20.731 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 -6.699 1.556 -0.152 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 -7.244 7.306 8.595 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 -1.307 -7.191 -27.792 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 -4.124 6.341 -3.554 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 -3.331 4.349 -6.801 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 -4.398 8.465 -5.783 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 2.184 0.332 -3.267 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 5.836 24.826 4.756 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 -0.449 -7.672 8.066 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 2.245 1.461 3.178 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 32.326 -1.877 -1.715 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 10.215 -10.045 22.084 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 -7.589 -0.057 -1.909 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 -6.392 0.882 -1.982 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 -1.687 -17.808 2.791 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 -2.191 -3.359 -2.813 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 8.478 -17.106 13.837 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 -10.325 17.333 -0.763 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 2.379 0.578 7.155 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 21.609 4.748 -0.958 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 -13.733 13.018 -3.564 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 0.543 1.482 7.469 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 -3.070 3.896 18.101 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 6.888 11.451 6.435 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 2.758 -3.319 2.179 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 -7.169 -7.089 1.044 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 13.312 -3.273 -16.299 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 -4.562 -2.309 -1.057 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 3.265 5.411 8.269 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 -5.029 -8.030 -1.866 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 0.450 0.774 1.114 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 0.926 6.270 -0.992 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 12.102 2.151 2.477 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 2.483 11.658 -2.163 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 5.945 -3.515 -10.278 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 7.199 -8.665 -12.342 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 -3.521 3.958 8.006 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 -0.395 -1.200 6.142 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 2.266 5.839 11.304 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 -0.444 2.776 0.321 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 8.621 4.912 -3.985 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 -0.731 8.300 7.832 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 -2.113 -2.187 1.569 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 -9.081 -0.192 -0.543 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 -6.941 3.448 -0.217 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 0.613 1.114 0.244 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 11.003 -22.287 20.090 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 2.745 5.028 -2.444 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 0.242 0.515 -1.902 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 -3.335 12.760 5.435 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 15.710 9.098 10.580 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 2.087 4.131 4.680 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 -3.889 11.326 3.621 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 -2.056 5.458 0.806 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 8.795 -2.736 0.434 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 -8.812 -7.405 12.300 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 1.004 -3.127 -21.255 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 2.103 -8.023 4.664 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 17.706 7.841 -17.942 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 -18.997 -3.792 -3.523 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 7.716 4.445 3.078 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 4.616 2.908 -1.101 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 0.447 -2.372 4.538 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 2.879 0.167 -6.498 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 -16.957 -10.620 -15.391 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 33.449 10.939 -24.022 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 0.041 1.445 -0.338 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 9.330 -11.515 1.271 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 10.747 -11.825 -3.088 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 8.057 -7.457 1.440 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 5.939 3.144 31.335 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 6.177 -10.828 29.983 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 4.004 1.736 1.068 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 -4.420 -1.965 -5.776 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 1.595 3.141 -3.746 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 2.605 3.820 5.473 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 -9.884 1.248 8.777 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 -21.141 3.053 15.636 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 0.924 1.777 -2.728 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 6.821 11.687 -5.191 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 1.712 -17.584 4.082 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 -6.592 3.300 0.178 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 -5.092 -5.919 -24.311 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 -5.804 -0.347 -8.551 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 -0.333 -0.578 -12.064 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 4.266 5.996 -29.748 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 -8.679 -1.374 10.404 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 -3.422 0.847 -2.929 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 -10.836 -7.080 15.255 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 -2.876 -0.660 4.323 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 -1.709 8.017 -4.134 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 -21.020 28.400 -13.417 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 9.336 -3.630 -0.092 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 5.714 -1.413 -1.480 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 9.014 -15.883 17.963 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 -3.682 4.972 0.026 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 -0.717 3.866 -1.325 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 10.232 -27.266 28.533 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 1.926 -18.236 24.772 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 -2.657 -8.999 1.492 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 -24.479 -15.267 8.907 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 3.902 -6.889 -1.033 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 -0.698 -1.664 -2.605 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 -0.997 -5.628 3.615 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 9.606 -1.756 -8.272 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 4.009 2.194 -0.696 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 -14.910 -1.209 3.774 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 3.414 -4.828 -0.720 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 -4.221 0.782 -2.085 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 -8.003 -16.476 8.058 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 -8.757 -1.729 -6.952 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 1.581 -1.844 0.345 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 -5.593 -2.190 -14.177 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 -0.286 -4.495 -3.193 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 -3.021 3.509 -5.366 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 -4.513 -1.680 -9.999 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 -7.568 8.225 -6.489 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 5.498 2.363 1.595 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 -0.894 3.018 0.238 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 10.900 -0.338 -6.645 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 1.826 1.430 4.073 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 10.303 19.044 24.668 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -3.236 14.411 -2.003 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 -0.425 4.328 -0.755 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 9.654 5.585 6.520 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 8.459 -7.809 -0.072 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 -3.682 4.398 5.331 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 -15.518 27.442 -14.768 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 -5.732 11.018 13.769 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 -5.438 -5.093 -3.539 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 -3.475 -4.198 23.752 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 17.687 -9.443 -1.079 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 -1.327 -2.281 -4.117 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 0.913 -6.733 3.271 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 34.343 -2.172 10.521 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 -2.253 -1.111 -0.494 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 -5.147 1.403 -5.921 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 -1.506 -6.983 -4.167 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 -1.630 -7.723 2.092 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 -1.651 1.003 9.662 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 -2.311 -10.603 6.018 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 -2.085 0.713 5.391 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 4.241 18.551 -1.041 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 -6.179 12.780 -10.011 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 0.529 8.107 -6.839 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 -3.014 10.098 -2.967 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 5.339 -1.868 -22.644 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 -4.016 7.402 1.772 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 10.975 19.445 -1.013 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 2.289 -13.357 7.080 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 8.180 1.755 2.701 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 2.962 0.349 17.798 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 -4.713 -3.250 -6.064 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 3.932 -1.755 -6.959 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 -8.086 -29.583 -5.036 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 -4.064 3.093 -15.747 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 -4.276 -0.641 0.470 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 13.905 -1.586 4.145 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 -5.802 -1.416 25.945 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 -8.175 6.135 -3.333 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 -15.498 3.749 -19.041 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 -27.771 4.558 7.962 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 1.468 7.509 9.226 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 -0.871 -16.659 17.298 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 -2.051 -18.062 18.008 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 2.886 0.311 -8.212 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 -16.947 1.466 21.632 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 31.553 -12.245 4.396 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 -2.217 -5.726 -0.040 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 12.509 -3.849 -6.851 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 -9.038 3.023 3.671 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 1.486 2.599 4.492 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 11.938 -7.191 18.281 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 -13.546 4.594 6.717 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 0.815 -2.194 4.703 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 -8.157 6.297 5.364 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 10.815 -17.825 10.315 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 -4.186 -6.616 -1.995 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 -7.391 -22.398 -10.674 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 8.867 -5.895 -1.818 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 -4.653 2.517 -0.553 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 -20.935 2.985 10.155 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 -27.075 -40.706 -1.788 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 2.959 6.083 8.372 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 -6.015 -19.601 6.842 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 -11.821 -6.059 -8.078 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 -3.920 -0.097 -4.232 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 -9.963 8.529 -19.344 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 -11.757 -17.095 0.290 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 -2.696 -1.679 0.216 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 1.388 -12.351 -4.920 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 -7.731 -15.520 -1.280 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 6.364 -2.380 -6.161 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 -10.319 9.561 10.903 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 7.492 -3.093 0.795 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 1.386 -2.148 0.448 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 5.492 -6.175 -8.733 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 2.412 -4.932 -11.215 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 -0.448 0.883 0.192 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 -1.243 -12.096 1.473 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 -7.048 1.922 12.825 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 0.763 -4.214 -3.420 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 20.921 -5.786 12.360 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 14.407 -4.572 -24.967 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 -0.535 -2.463 0.115 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 -8.365 9.147 22.395 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 8.689 -18.523 15.236 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 1.050 -0.548 7.060 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 -15.912 -16.781 7.414 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 10.269 10.849 1.215 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 0.856 0.526 -0.513 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 8.363 2.291 -0.050 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 3.082 -2.570 7.027 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 2.281 2.639 2.715 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 -1.418 -11.312 -2.340 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 1.245 0.138 1.486 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 -4.215 -2.619 -6.379 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 -20.400 18.740 10.589 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 6.701 -16.886 -15.948 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 5.089 0.060 1.838 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 17.980 -6.585 5.318 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 10.178 -14.578 -7.651 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 -2.689 -2.782 -4.135 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 1.620 -6.053 -9.477 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 -19.712 7.891 15.832 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 -1.929 1.634 -5.017 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 5.923 13.751 -12.686 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 -15.803 1.938 -2.748 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 -1.811 4.919 -2.518 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 0.436 -4.997 -2.299 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 -22.847 6.226 -3.283 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 -3.886 2.809 0.132 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 -11.901 1.068 -14.829 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 18.991 2.701 18.674 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 -4.745 1.018 -0.510 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 2.456 -4.068 -13.701 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 -2.572 -2.749 12.587 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 -1.320 3.717 -1.207 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 -8.056 5.726 5.261 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 0.173 -2.383 0.461 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 4.215 7.419 6.705 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 23.476 11.234 9.218 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 18.435 -14.629 -2.429 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 -0.836 0.478 -1.323 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 9.387 6.855 12.329 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 -20.939 -11.509 -6.062 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 2.983 -0.279 -4.596 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 0.888 15.906 -8.967 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 0.200 -7.290 11.517 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 0.487 -0.585 0.677 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 0.176 -0.480 -4.236 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 -7.933 -8.526 -4.782 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 5.531 -3.399 -1.213 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 4.375 -13.803 7.206 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 0.369 16.310 -17.830 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 0.136 -0.411 -3.746 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 -14.977 -15.664 0.205 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 7.673 -35.007 -4.998 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 -2.587 2.998 -1.100 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 -27.839 3.693 -13.504 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 2.450 0.901 3.829 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 -3.884 7.196 5.226 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 -15.871 6.138 20.661 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 -0.740 5.228 40.351 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 -0.866 5.322 0.553 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 -11.963 6.742 10.265 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 5.534 19.122 2.017 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 -2.545 -2.309 4.898 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 22.583 -5.164 0.950 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 3.262 -2.732 1.458 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 -1.465 0.477 3.051 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 -14.429 -4.849 -13.929 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 8.225 -2.395 16.110 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 -0.959 -5.587 -1.760 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 3.809 -0.136 1.231 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 -28.425 -23.870 -5.923 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 -7.349 -0.238 -2.146 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 3.233 -0.246 11.586 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 -6.297 -4.156 6.498 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 -2.641 -5.064 1.819 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 -6.711 -20.254 -8.297 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 -31.878 -2.086 -0.771 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 4.716 -2.705 3.503 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 6.401 5.863 -11.900 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 -14.796 0.835 -7.137 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 0.573 4.303 0.982 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 16.737 4.422 -2.193 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 -1.087 -2.821 -2.453 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 1.823 6.743 -4.616 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 -13.491 -2.128 -9.631 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 -1.625 12.080 -8.858 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 0.995 4.894 -1.638 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 0.060 -2.350 -5.030 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 8.859 6.711 -0.364 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 -1.175 -1.781 -0.512 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 2.396 10.636 -7.321 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 -2.219 -8.794 10.733 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 4.382 -1.249 1.056 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 4.900 2.354 8.611 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 -0.428 -7.864 -28.519 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 -0.718 -0.605 -1.398 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 0.949 -0.286 -21.134 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 -18.330 -9.314 2.061 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 2.395 -7.967 6.520 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 7.130 -3.675 -3.215 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 13.294 -13.342 -7.899 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 8.913 -3.555 6.810 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 -0.548 -3.945 3.935 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 14.294 -11.264 10.564 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 5.442 -1.427 3.741 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 -0.066 -10.147 13.221 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 7.777 27.368 -4.172 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 3.845 -2.732 -0.850 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 -9.085 -2.594 15.071 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 -12.462 -11.128 -11.131 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 1.274 0.168 -0.090 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 -26.488 -5.095 -12.851 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 -14.079 -12.611 -14.194 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 -5.913 -3.873 5.917 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 -12.684 -5.125 -17.401 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 11.967 17.842 -0.246 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 4.512 8.219 -1.878 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 8.082 12.666 -2.009 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 3.834 9.633 -2.239 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 -1.589 -4.023 -1.147 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 -0.627 -0.351 0.956 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 -1.071 -2.569 -0.078 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 5.410 5.557 2.287 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 -5.507 -13.287 3.097 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 -5.235 13.083 3.344 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 3.003 -4.337 2.900 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 1.097 -8.762 9.800 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 1.292 -8.125 12.452 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 0.002 3.115 2.520 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 -9.174 -7.351 -13.075 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 3.650 -3.171 -19.541 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 -1.787 0.675 5.504 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 12.133 1.692 -7.119 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 -4.323 -13.100 9.161 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 -7.638 1.175 -1.858 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 -4.617 -9.153 5.490 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 -12.580 0.273 -4.165 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 -6.598 0.567 8.760 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 -18.106 -2.840 -6.710 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 15.169 10.629 -13.319 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 0.471 -0.875 -4.697 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 8.873 -6.789 -4.336 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 -8.956 6.327 -4.956 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 1.801 0.414 0.446 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 5.217 -7.507 -10.956 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 11.437 -3.837 11.352 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 -2.425 -0.382 -6.881 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 -8.875 0.866 -3.283 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 0.236 -6.122 -3.226 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 6.290 -8.788 -1.097 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 5.851 -13.770 -1.705 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 5.202 -0.650 -3.957 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 2.691 4.171 -1.525 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 -3.357 3.536 -9.301 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 -12.441 -0.529 9.441 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 0.098 -0.798 2.141 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 9.304 13.278 4.057 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 22.401 29.267 -3.502 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 -3.716 4.493 9.552 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 8.483 7.609 7.772 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 -0.514 -14.659 7.741 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 -7.971 -4.929 1.020 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 -10.944 -4.538 5.673 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 -5.368 -9.342 1.623 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 3.703 0.570 -3.151 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 -24.779 -34.456 26.730 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 6.042 1.278 0.367 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 4.476 -5.529 -7.987 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 8.919 10.240 -0.696 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 6.474 -5.261 -19.243 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 -3.109 -2.098 -0.264 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 -41.938 -2.924 -35.553 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 -1.016 11.400 22.798 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 -4.369 3.996 -2.480 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 13.441 -8.328 -9.132 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 -29.580 14.786 14.923 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 0.970 1.435 2.775 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 -3.241 7.958 -9.347 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 3.532 5.088 8.513 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 -4.263 -1.202 -1.429 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 -28.783 -10.154 -14.174 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 15.110 6.635 8.980 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 -7.235 2.057 0.612 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 0.641 11.538 -5.636 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 0.611 2.051 -9.945 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 -2.460 2.436 -2.363 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 -22.438 1.750 -7.162 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 -19.626 9.517 -1.892 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 0.437 0.893 2.146 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 -11.656 7.891 11.473 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 4.351 -22.429 -0.453 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 1.968 3.162 2.601 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 -15.364 4.379 13.371 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 7.587 -17.840 9.468 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 -3.597 5.005 -6.759 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 -12.442 13.362 -20.928 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 -5.770 4.092 -5.466 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 -13.192 1.844 -1.242 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 -8.886 -4.258 3.219 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 -1.024 -13.775 10.120 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 0.383 -3.561 0.625 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -5.847 6.352 -4.554 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 1.680 -11.376 4.750 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 -0.970 -0.030 -0.731 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 0.198 14.309 -3.263 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 -5.892 -8.047 -10.925 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 4.795 4.090 3.377 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 -8.806 1.382 -3.677 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 2.674 -15.469 0.939 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 4.001 0.367 0.463 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 10.656 -11.372 1.438 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 -22.127 28.649 -3.653 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 -6.756 2.070 1.910 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 -0.502 -1.412 14.362 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 -13.143 12.147 -18.915 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 -0.499 -3.995 5.244 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 2.912 -15.710 35.818 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 -7.105 1.871 11.620 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 2.678 9.274 -4.438 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 10.065 4.426 2.719 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 -2.271 15.125 1.564 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 2.154 -1.875 0.379 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 15.833 13.342 -8.484 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 -19.608 -2.762 16.888 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 0.053 -3.244 2.730 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 10.550 -1.928 6.785 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 -8.282 20.670 -26.181 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 2.286 -1.784 -1.130 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 9.170 -0.870 -5.280 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 5.210 -7.759 -1.961 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 2.057 -0.706 -0.514 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 8.509 -4.092 5.131 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 13.600 -5.538 -3.045 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 4.426 -0.285 -1.321 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 0.008 13.213 -1.782 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 5.919 7.749 1.550 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 2.878 7.456 0.613 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 12.071 5.234 -19.385 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 -3.403 12.910 2.136 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 -3.984 2.026 -4.755 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 -4.207 2.971 9.220 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 8.216 10.987 -7.593 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 -2.248 2.355 3.447 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 17.560 -4.266 -8.187 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 6.696 18.322 8.870 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 1.898 5.915 -5.029 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 -8.199 -20.075 -25.244 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 -1.374 -16.201 -22.819 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 6.273 -6.532 -4.782 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 -2.766 2.417 21.464 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 15.305 6.095 -0.844 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 -3.932 -1.438 4.020 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 -1.619 -4.966 2.563 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 -13.488 -1.627 21.674 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 -3.110 -5.465 1.148 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 -9.052 0.417 -8.033 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 -6.854 -13.644 -13.911 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 -0.030 0.905 6.172 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 -2.225 -0.386 1.731 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 1.602 -2.831 7.855 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 -3.251 -2.395 0.539 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 10.425 -25.126 10.056 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 6.930 20.108 10.492 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 2.687 0.379 -2.491 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 -14.050 -10.099 -9.233 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 10.534 -1.558 -20.686 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 -3.671 1.867 -1.218 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 -19.035 0.514 -9.096 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 1.887 13.145 7.861 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 1.768 -0.737 -3.958 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 3.648 -2.716 0.116 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 1.103 2.018 -0.012 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 5.328 1.935 -2.282 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 9.093 2.481 -1.687 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 4.969 18.150 -13.057 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 5.837 2.959 -3.818 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 2.814 -0.544 -3.577 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 -8.829 2.294 17.028 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 4.179 -6.764 1.814 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 19.930 -0.185 -9.481 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 -4.885 6.065 6.885 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 1.924 0.133 1.673 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 6.070 -5.691 -14.966 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 -5.889 -7.061 14.404 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 -4.311 3.542 6.006 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 -13.273 -0.413 5.479 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 0.941 -1.509 4.398 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 6.030 -1.863 1.795 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 2.800 -8.399 -6.606 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 -5.365 25.092 0.035 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 2.004 1.359 -1.682 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 -4.799 -13.477 -6.947 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 18.716 -4.442 4.103 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 2.745 -1.622 0.176 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 15.916 3.059 20.859 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 -7.499 -0.960 -12.006 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 3.031 4.156 1.583 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 4.627 -19.186 -4.268 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 1.215 22.581 -6.103 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 -0.470 -3.002 0.007 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 -3.865 7.738 -11.641 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 3.101 6.746 0.823 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 0.869 -1.400 -2.650 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 -6.357 -10.326 -2.035 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 1.521 2.386 10.179 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 -4.859 6.685 -9.000 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 7.238 7.175 15.620 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 -5.266 11.838 -10.737 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 -10.386 4.632 -1.408 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 -1.866 4.117 -9.100 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 -1.622 6.508 12.411 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 -3.800 7.341 5.209 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 -3.309 5.709 17.697 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 -10.417 2.712 5.361 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 -3.841 -6.417 1.018 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 -8.565 21.568 -6.775 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 -19.427 -10.154 5.038 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 4.169 -6.385 0.673 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 -6.874 -2.055 10.934 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 -2.263 -18.291 3.142 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 -3.841 7.349 7.955 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 25.236 -21.566 2.582 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 13.704 -6.710 16.876 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 -2.133 2.137 4.005 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 22.734 9.725 13.418 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 2.321 -6.057 13.962 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 -5.762 -2.611 -2.861 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 -7.233 5.598 -9.801 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 -0.515 7.813 -10.599 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 -2.191 3.886 0.688 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 -15.250 26.567 -2.524 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 1.205 -12.605 9.859 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 -7.374 -2.033 -2.541 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 -12.163 0.664 -18.366 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 10.232 11.202 -15.214 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 -2.035 -4.019 -4.129 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 2.753 -1.219 -5.801 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 -8.067 -12.948 -4.412 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 5.658 -1.623 0.606 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 0.982 -6.931 1.044 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 4.788 -2.501 -0.514 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 -5.941 3.046 1.053 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 -4.073 4.132 1.275 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 -46.748 -16.260 10.446 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 -0.753 -0.874 7.960 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 -5.941 3.382 -13.395 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 -1.146 -10.116 17.240 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 -2.180 -1.782 5.303 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 -0.359 -6.949 3.148 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 -5.035 2.013 7.206 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 5.553 -2.878 -5.037 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 7.138 0.321 2.447 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 3.782 -19.123 -13.090 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 1.326 3.187 3.362 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 -4.177 -4.179 -3.686 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 -6.494 3.937 4.181 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 0.654 -2.929 4.263 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 6.317 -7.435 10.343 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 -22.174 11.293 -4.989 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 2.349 0.551 0.620 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 8.474 -7.714 -3.812 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 -3.534 15.193 3.159 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 -3.181 -4.571 4.063 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 -19.012 10.539 -5.443 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 5.402 -17.816 15.864 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 0.727 0.265 1.590 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 -7.699 13.941 -1.072 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 7.353 1.852 14.308 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 2.860 -10.948 -10.072 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 -28.454 -15.866 -25.943 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -24.045 -9.010 -24.840 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 -2.813 12.335 -2.026 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 -7.858 6.477 -0.881 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 -12.677 5.482 13.479 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 0.789 -1.356 1.019 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 -7.212 4.560 12.551 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 -10.747 -11.478 -1.436 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 0.011 -3.239 -8.551 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 -0.950 10.764 -9.840 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 -0.316 -5.230 16.358 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 7.986 3.233 -3.883 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 6.391 6.992 10.565 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 9.381 11.053 -14.861 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 -0.871 0.568 -0.025 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 -2.256 -3.948 3.473 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 8.289 1.055 -2.652 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 -1.850 -2.520 -2.132 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 -6.632 -16.393 -5.352 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 -19.020 -6.273 -14.508 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 -2.109 -5.612 0.458 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 -2.866 -0.916 -0.205 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 0.788 -3.996 2.210 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 -5.308 -4.890 -1.335 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 1.238 5.311 -5.961 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 7.100 6.341 5.040 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 0.727 1.773 -3.500 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 -3.179 10.870 20.262 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 -4.205 6.619 -6.501 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 -0.401 -3.266 2.211 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 5.627 11.327 26.725 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 -19.182 13.476 -23.740 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 -1.252 1.009 -2.734 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 13.497 -2.361 4.522 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 4.103 15.038 -12.499 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 -2.824 -4.888 0.972 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 11.573 3.937 16.985 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 -4.789 -16.063 10.636 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 -0.578 -0.913 -4.455 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 -2.136 1.064 6.539 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 -9.510 20.427 -2.026 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 3.316 -10.410 0.971 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 -9.793 -7.479 -31.137 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 -1.567 2.622 -5.222 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 2.673 3.327 1.647 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 23.858 11.444 10.833 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 18.035 -3.132 -22.047 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 3.574 2.989 -3.023 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 17.025 -9.152 -4.215 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 -6.850 -7.235 -6.046 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 -4.103 -2.409 1.578 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 7.096 -4.002 13.100 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 7.531 -9.572 0.651 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 -7.788 -5.264 1.484 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 4.803 -30.785 -21.517 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 16.504 -34.073 -23.760 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 3.071 -5.799 -0.452 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 8.464 -11.588 7.855 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 2.553 -1.557 6.693 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 1.305 -6.483 -0.375 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 12.078 -13.664 -12.872 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 2.946 -8.275 -6.531 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 -3.831 -2.664 0.082 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 -11.376 -15.259 14.352 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 -10.578 12.990 12.932 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 -3.162 2.707 2.199 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 2.505 4.737 -11.242 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 -30.663 -4.359 24.478 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 -6.035 5.577 1.367 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 7.780 15.742 5.312 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 -6.172 10.729 -7.200 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 1.340 -6.758 0.411 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 -40.631 -13.749 0.989 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 21.891 -19.003 20.090 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 -1.141 5.150 0.141 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 1.260 20.708 -4.150 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 -8.466 11.976 13.697 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 -1.169 6.008 -0.223 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 12.075 6.016 1.614 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 2.301 -6.537 -3.168 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 -2.276 1.480 4.649 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 3.609 -17.821 -5.873 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 -2.795 -21.170 24.914 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 -2.428 -7.745 1.376 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 4.313 2.225 6.897 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 2.915 2.299 6.140 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 -0.990 -0.467 -5.238 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 2.221 -2.149 -8.094 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 11.703 -8.853 -15.885 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 -3.752 0.933 6.931 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 -2.102 3.923 9.545 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 -5.884 -7.670 4.611 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 -1.322 -1.116 -0.504 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 12.379 -16.668 -10.496 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 10.325 -7.683 -6.205 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 -1.503 0.165 -0.537 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 -4.063 13.539 -7.586 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 5.558 10.185 13.811 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 -1.061 -2.027 -2.734 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 -2.672 -2.450 17.897 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 -14.848 11.028 2.318 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 -2.996 7.641 2.454 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 4.583 11.148 -6.404 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 -8.387 9.310 -5.619 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 1.944 6.653 -0.484 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 -1.381 -0.678 15.492 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 -5.826 8.167 -7.608 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 -3.867 -4.062 1.388 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 -2.204 -8.289 1.562 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 15.647 7.947 17.842 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 -1.300 -4.479 2.373 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 -2.314 -3.682 8.188 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 -5.128 -11.427 -9.974 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 0.640 -0.408 3.276 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 6.650 -5.683 2.150 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 2.686 6.614 0.581 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 -3.176 -4.936 2.296 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 7.212 -5.949 -6.397 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 5.126 2.998 9.863 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 -1.852 -0.760 -1.835 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 2.630 3.568 -4.601 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 -3.364 16.679 16.080 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 1.991 5.060 2.209 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 -0.148 -9.928 5.474 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 3.784 -9.351 4.840 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 1.922 -5.193 -5.191 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 17.554 27.440 -10.810 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 28.232 -25.458 2.042 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 0.649 -1.428 2.816 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 2.452 -1.533 5.774 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 -4.474 -0.728 4.706 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 -7.393 7.687 4.781 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 4.798 -16.275 -5.053 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 -6.819 -1.620 1.066 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 -0.582 -3.554 3.139 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 -16.975 -13.136 1.801 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 -4.473 9.819 17.140 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 0.808 -1.988 1.554 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 -4.933 2.097 4.527 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 -26.951 -25.937 -20.388 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 1.911 -6.658 -2.229 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 -1.447 -1.696 1.881 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 -1.770 -4.451 2.684 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 2.500 -4.946 -3.171 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 7.480 8.984 -3.991 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 -4.862 -21.611 -3.383 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 1.745 -2.990 -6.125 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 1.378 -6.443 -8.132 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 3.504 0.012 -9.172 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 8.684 3.308 2.863 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 10.811 -21.008 -8.360 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 1.547 -14.373 -50.090 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 -1.899 1.312 2.227 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 -30.934 -4.512 -15.733 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 -6.095 16.723 5.321 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 0.960 2.409 -0.563 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 10.947 8.768 -10.486 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 -6.643 8.302 5.297 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 -2.910 -4.407 4.943 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 -10.384 2.847 15.338 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 -3.395 -9.810 -14.540 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 3.310 4.159 -2.161 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 2.416 5.387 7.277 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 -0.986 -0.835 -5.606 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 -1.069 0.284 4.252 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 -4.282 2.665 9.761 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 -3.599 2.561 9.952 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 -0.648 -3.205 3.505 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 2.717 10.509 2.370 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 5.351 -9.956 -9.012 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 -0.869 2.322 2.679 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 2.697 -14.313 -22.814 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 -24.292 3.297 4.343 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 -3.075 1.577 3.865 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 -13.894 1.560 1.976 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 20.336 5.100 12.954 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 2.059 2.194 -1.621 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 9.657 -5.377 -3.422 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 -11.151 -12.262 -2.026 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 1.396 8.901 3.584 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 -4.379 3.158 16.462 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 -4.115 2.956 3.298 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 9.289 -3.779 0.748 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 2.692 -33.562 21.495 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 10.544 -2.112 -12.027 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 1.699 4.112 -3.130 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 -9.516 6.290 8.085 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 -7.191 2.698 1.802 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 2.190 -2.506 -0.085 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 12.746 -1.269 -31.039 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 13.658 8.791 -10.621 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 -1.835 -4.048 6.434 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 -2.466 -5.274 5.770 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 -0.205 -2.085 12.376 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 3.271 1.031 0.826 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 -13.284 3.619 11.469 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 17.514 -11.922 0.580 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 3.846 -2.695 -6.793 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 17.024 2.316 -4.730 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 -16.971 17.380 5.250 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 -2.692 1.973 1.454 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 15.158 -26.404 1.168 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 -2.065 31.675 3.041 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 -1.553 10.201 -2.347 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 -16.925 15.960 -10.522 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 2.405 -1.907 10.118 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 -4.499 2.005 -2.904 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 8.753 19.169 4.038 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 -10.056 7.671 -1.139 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 3.303 -3.044 3.012 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 13.171 4.734 3.046 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 5.084 -3.263 -11.726 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 0.101 4.260 -1.850 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 -5.069 7.851 8.605 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 -7.231 13.304 -2.916 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 0.115 -0.451 -0.868 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 8.296 7.940 3.429 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 -26.402 14.690 -5.411 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 0.234 1.601 0.830 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 2.589 -3.653 -9.467 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 7.910 -6.892 11.326 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 4.471 -0.762 -1.815 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 12.976 0.871 -1.021 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 -7.729 15.047 -11.620 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 0.190 0.220 -3.808 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 -8.897 -14.366 -1.336 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 3.562 7.072 -4.661 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 5.862 1.133 -4.097 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 39.074 -6.507 1.796 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 11.626 5.366 -10.177 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 0.142 3.656 1.314 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 21.203 0.555 -14.522 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 9.356 6.552 27.779 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 -3.414 10.441 4.974 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 -15.662 15.643 22.708 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 20.861 -0.567 -39.453 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 2.383 -1.364 4.350 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 -2.277 15.673 -29.171 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 -1.687 -15.197 11.593 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 6.340 1.819 -6.332 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 -3.965 4.210 -9.785 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 -0.237 -4.503 -8.971 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 -3.918 -0.427 -0.481 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 3.225 -5.580 -0.175 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 -6.119 1.615 4.021 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 -5.088 2.195 2.341 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 2.901 12.218 1.339 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 -22.307 -17.895 5.069 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 3.172 4.660 -2.097 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 1.763 -3.872 14.896 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 -13.209 3.870 -0.249 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 -3.615 -2.657 0.738 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 -3.856 -9.087 0.220 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 0.264 -22.103 -6.985 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 -4.343 4.647 -1.725 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 -3.420 12.073 -18.483 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 -3.447 4.920 5.382 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 8.331 5.425 0.048 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 6.330 7.195 7.068 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 14.639 6.195 -9.228 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 2.275 -2.167 0.241 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 2.856 -13.758 -7.482 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 7.206 2.582 -2.575 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 4.198 1.444 1.122 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 14.015 10.162 -11.157 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 -8.454 -7.263 14.092 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 -8.857 2.764 -2.414 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 -3.247 8.530 5.715 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 -10.753 2.133 -10.823 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 5.627 -0.710 0.637 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 8.153 -1.171 13.481 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 12.502 0.032 -14.029 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 1.835 3.719 7.404 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 -1.805 23.147 3.229 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 15.888 -0.397 2.828 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 -0.994 -1.075 1.846 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 1.457 -9.280 0.878 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 10.500 20.926 0.226 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 7.035 -3.040 4.061 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 8.744 -7.306 1.798 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 -10.766 -23.028 8.552 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 0.066 0.489 -0.087 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 24.806 0.352 12.867 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 -1.629 1.084 -0.621 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 -2.694 0.550 -1.552 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 -4.335 1.277 -1.320 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 11.095 -5.807 6.466 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 2.315 3.881 2.929 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 0.495 0.834 -14.417 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 17.429 8.991 6.046 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 -2.229 -6.361 1.272 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 -3.154 -2.908 -9.139 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 7.268 -0.476 -0.445 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 -0.326 -7.524 0.730 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 -2.518 0.718 7.129 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 -5.791 -4.990 -9.066 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 -0.009 3.964 -3.402 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 -4.076 5.228 -12.356 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 11.763 3.888 7.678 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 -4.331 0.902 1.755 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 -3.146 1.254 4.879 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 -8.734 15.629 1.476 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 0.919 -3.577 0.870 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 -5.741 -17.168 -6.309 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 15.280 -0.363 -7.737 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 2.157 0.808 3.508 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 -1.562 3.931 15.094 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 7.366 -1.192 -5.568 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 6.156 -2.353 3.532 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 -5.172 10.786 -11.549 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 -0.132 8.062 33.259 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 3.013 0.641 -0.284 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 -0.913 4.457 26.180 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 -1.597 -4.734 -3.785 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 -0.053 -4.029 -1.843 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 2.543 -1.862 -0.256 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 -11.132 3.034 -16.957 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 1.208 0.048 -5.082 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 -3.330 5.658 -4.865 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 -9.363 3.431 -0.347 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 0.189 2.692 3.360 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 -45.113 7.658 17.692 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 -15.778 -2.449 14.134 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 -1.019 10.221 1.640 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 3.618 13.265 0.663 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 3.194 9.131 1.941 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 -1.440 3.099 6.178 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 -12.870 3.250 -1.496 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 9.121 5.112 -20.206 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 -0.586 2.104 -1.089 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 11.107 6.940 -19.673 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 -6.671 -1.360 20.891 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 -3.394 -4.758 -0.492 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 -15.688 4.478 4.390 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 -12.405 -18.969 -3.793 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 -1.423 -3.467 1.568 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 -7.839 -12.425 -2.241 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 -10.928 -1.157 -1.391 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 -9.218 0.673 -2.822 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 2.809 -14.834 0.473 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 -0.173 -15.122 0.104 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 -4.687 -2.542 -4.705 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 8.502 -15.922 -6.932 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 -8.399 3.469 0.226 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 1.386 -4.946 -4.419 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 -1.319 -15.630 6.398 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 -16.145 15.140 -21.518 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 -1.613 5.636 0.557 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 0.339 16.432 8.309 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 -8.415 8.242 -11.491 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 0.265 -11.180 -5.342 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 -1.800 -29.505 4.134 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 3.577 14.074 4.350 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 -0.033 4.159 2.409 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 -7.660 2.485 -8.321 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 -21.718 9.190 2.570 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 1.554 2.142 -6.566 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 -5.933 0.189 7.842 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 6.816 9.969 -4.801 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 0.803 3.592 -0.749 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 6.558 13.126 -1.454 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 3.891 -3.544 5.362 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 -3.272 -1.623 -4.107 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 8.617 5.763 1.655 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 -0.999 -11.782 -5.738 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 -1.607 8.336 -0.045 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 -10.253 6.622 -11.005 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 12.691 4.674 10.078 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 0.109 10.341 3.399 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 -6.183 10.270 6.181 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 -0.729 10.177 -12.544 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 8.499 2.390 -1.667 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 9.648 -0.187 -31.501 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 10.749 7.546 -12.424 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 -0.371 -5.337 0.293 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 -10.534 -4.523 10.757 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 4.728 -5.990 -6.861 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 5.018 3.739 -5.745 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 10.894 13.143 -23.458 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 -19.514 1.804 -6.928 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 -4.025 1.628 -4.286 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 -2.915 32.050 15.213 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 -9.772 20.234 -23.020 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 4.341 -0.824 3.535 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 11.426 10.462 6.907 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 1.859 24.082 11.525 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 -0.915 -4.382 -3.454 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 -0.565 10.006 -12.476 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 -23.061 -11.455 -9.289 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 -1.007 1.934 -0.833 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 7.430 0.247 5.778 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 -6.260 3.336 -1.200 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 -1.666 7.226 -3.058 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 3.037 8.840 -1.180 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 -4.518 24.583 11.931 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 -1.234 5.088 -1.713 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 -3.009 5.200 14.358 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 7.754 1.898 -11.035 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 3.265 9.387 4.117 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 6.569 -12.778 -2.293 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 10.659 17.537 -6.741 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 -5.061 1.986 -2.155 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 -1.696 5.019 -7.566 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 -9.861 2.360 -13.023 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 7.330 -8.641 -6.224 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 -12.166 -14.691 -4.817 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 4.304 7.409 4.878 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 -2.651 -1.526 1.823 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 11.513 -3.468 -7.652 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 0.524 -1.888 -22.844 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 -1.071 0.480 -0.927 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 -31.776 14.932 2.735 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 -2.871 -6.260 -2.426 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 0.270 2.265 -4.375 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 -0.166 0.040 15.590 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 9.412 -4.877 7.244 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 3.365 -0.902 1.950 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 -11.934 1.033 -21.190 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 10.149 -10.479 11.091 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 1.196 -4.199 -2.212 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 -11.644 -24.713 2.580 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 1.529 4.920 -5.359 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 6.026 -0.393 -2.368 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 -16.759 -32.083 9.485 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 14.247 -11.669 16.611 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 0.162 6.391 1.880 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 6.344 -18.046 10.635 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 2.311 -7.788 8.102 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 5.533 -1.285 -2.441 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 -6.357 0.836 28.018 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 -21.675 -4.687 -18.507 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 -2.267 1.952 -1.814 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 -10.098 21.170 -18.653 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 -3.134 -22.993 -22.292 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 -3.085 6.949 1.383 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 -26.778 -5.051 20.642 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 19.425 18.510 13.896 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 5.915 -5.927 -1.965 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 12.522 4.142 23.616 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 8.658 -5.511 0.565 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 12.386 -0.519 -10.626 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 -5.933 -2.797 -2.243 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 -5.405 -2.220 -5.043 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 1.784 0.490 0.769 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 -4.429 4.295 -0.222 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 13.542 -6.228 5.141 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 0.666 -0.277 1.949 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 -0.683 1.157 -0.884 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 -1.113 14.640 19.736 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 -2.733 -5.424 -1.797 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 -1.838 0.762 -10.686 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 -1.905 -32.243 -3.499 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 1.157 6.056 -7.644 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 -0.722 -4.504 -2.109 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 -9.382 16.006 -9.224 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 -1.724 4.391 5.950 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 5.517 0.441 6.217 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 -6.937 7.171 6.145 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 -2.313 -0.928 5.102 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 2.312 4.305 -1.715 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 -3.147 -0.938 5.810 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 0.198 0.280 -6.576 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 17.746 -7.513 -10.013 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 3.160 1.163 23.210 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 3.787 -4.156 5.714 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 6.113 -5.038 -1.368 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 6.971 -7.874 9.026 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 3.331 1.130 4.291 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 -22.089 17.224 13.076 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 -1.157 9.708 2.821 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 -6.665 -1.801 3.642 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 4.445 16.241 -20.908 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 -17.315 10.098 4.521 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 -7.279 -3.505 2.137 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 6.462 -4.182 -5.648 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 -7.871 -4.536 12.362 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 -4.835 -1.439 0.784 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 0.120 -10.485 2.825 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 -0.645 3.342 -7.484 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 2.876 4.296 -1.381 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 -30.118 7.277 -6.957 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 -9.724 -5.415 -3.498 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 -3.353 2.757 1.029 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 -3.958 -3.500 12.479 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 2.627 14.887 5.710 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 -1.387 0.734 4.334 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 -0.791 9.663 -9.021 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 -1.728 -4.290 11.460 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 4.914 7.480 5.984 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 -18.436 -3.173 16.725 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 0.188 31.652 0.749 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 -0.556 -3.328 5.931 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 -5.598 2.054 -4.407 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 9.501 -4.137 -2.909 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 -1.970 -0.912 1.434 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 -20.058 -1.170 -14.080 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 -9.878 1.303 16.292 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 2.698 -4.721 0.297 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 7.396 -3.685 11.456 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 4.765 -11.099 20.576 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 7.571 5.198 -1.392 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 10.014 6.644 -10.882 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 -2.472 -9.581 5.829 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 0.904 -3.347 4.052 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 -13.573 -0.654 -14.887 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 -1.941 -2.973 6.002 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 5.976 -2.546 3.604 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 11.836 17.365 -5.220 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 -11.070 -3.420 -11.844 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 -3.469 8.748 -0.839 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 2.590 6.405 4.787 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 1.791 -26.576 -0.925 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 1.699 5.225 0.752 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 -10.178 -8.744 -7.937 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 -3.358 -8.841 0.055 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 -1.557 -1.333 -3.626 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 2.316 0.359 -5.150 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 -0.853 0.019 -4.161 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 4.195 0.466 -6.179 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 -5.948 -8.834 4.146 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 -8.038 -1.017 5.272 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 0.575 5.162 -0.924 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 10.368 -3.306 1.040 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 -9.204 0.441 -3.371 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 -5.123 6.534 1.676 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 2.487 3.009 3.959 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 8.123 20.053 14.297 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 3.610 2.133 -3.279 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 5.230 -8.282 2.568 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 -1.380 31.986 -45.749 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 1.348 0.099 1.106 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 10.401 6.653 -14.842 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 6.982 6.306 -6.890 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 3.408 3.473 -7.668 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 10.106 -23.011 0.918 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 11.881 -22.231 -2.474 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 -0.217 0.633 3.144 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 3.502 3.645 7.193 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 6.167 8.794 16.204 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 -7.758 3.268 4.352 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 0.167 10.993 6.496 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 -10.921 2.312 2.712 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 2.811 -1.804 0.301 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 26.735 -21.842 15.688 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 14.042 24.253 -10.349 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 0.957 4.418 -1.505 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 -5.788 11.052 -6.756 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 1.222 -11.305 -2.918 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 4.331 -0.543 -7.180 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 19.405 -12.797 2.622 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 22.368 -4.828 -9.422 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 0.596 -2.044 -8.662 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 -11.132 4.639 24.492 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 -10.840 1.737 -2.914 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 -2.877 -0.795 -3.850 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 -18.558 -7.221 10.940 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 0.177 8.657 -12.197 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 -3.825 1.082 1.802 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 6.166 0.854 11.637 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 -3.443 -5.567 0.545 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 3.727 -1.355 -0.552 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 12.455 -9.942 -0.220 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 -5.646 -6.471 1.958 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 0.372 2.808 -3.612 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 -0.481 4.865 -7.352 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 4.730 -3.195 -6.364 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 -3.212 -4.749 -5.509 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 -5.260 -13.684 -8.596 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 -2.403 -11.117 -18.800 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 1.510 -2.273 -4.099 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 7.794 -34.904 -9.214 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 -3.612 -2.814 -2.839 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 -1.146 2.982 -3.255 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 20.697 18.048 19.973 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 -8.403 -1.062 -18.446 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 -1.905 -6.346 1.628 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 -0.304 13.436 -18.259 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 16.000 4.901 6.301 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 -2.188 -0.861 2.506 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 4.858 3.562 -7.116 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 -0.786 -12.368 -6.053 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 2.157 2.616 -0.844 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 -0.567 21.177 17.629 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 11.415 -13.632 -3.508 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 -3.923 8.521 0.320 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 -2.742 14.813 1.943 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 8.814 14.123 -18.119 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 1.029 -1.592 0.085 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 -2.682 -2.602 11.906 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 -1.384 5.949 -15.957 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 -0.850 2.412 1.893 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 -16.067 -11.703 2.109 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 -3.778 -16.186 20.370 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 0.611 0.325 0.779 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 -9.864 2.056 1.051 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 -23.239 7.736 4.836 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 2.103 -0.905 1.867 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 -6.171 3.396 24.866 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 5.882 -9.685 -20.657 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 2.229 -2.011 0.705 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 -13.119 -25.333 19.688 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 -6.056 -5.654 -25.867 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 -2.724 3.497 3.080 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 -0.201 1.105 6.799 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 -0.344 0.939 -1.129 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 1.940 3.407 1.034 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 15.528 0.581 -5.678 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 -1.728 25.379 15.896 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 1.654 5.313 3.837 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 -8.385 15.299 -10.948 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 -26.092 5.100 -7.656 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 -0.503 6.396 1.796 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 -18.369 1.846 -6.439 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 9.980 -0.569 -5.078 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 3.816 -7.253 5.671 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 13.676 -0.389 -1.303 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 0.242 -0.665 9.308 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 2.706 -3.834 3.321 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 3.577 -1.295 3.045 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 -14.458 -4.600 16.067 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 -1.474 -0.565 -1.084 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 -3.797 -9.181 1.607 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 -6.312 -25.997 5.689 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 0.962 0.051 -4.922 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 4.549 3.175 17.918 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 0.927 -0.322 -10.557 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 4.584 5.311 -2.549 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 -4.067 -0.834 -15.109 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 -7.042 -1.981 16.115 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 -1.008 -2.887 -2.249 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 -1.581 12.970 -18.715 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 -1.448 -11.630 -15.428 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 -1.929 -6.039 -1.186 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 9.710 2.979 -30.317 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 14.648 0.371 7.324 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 1.015 -0.238 -3.450 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 -5.973 -16.565 -2.970 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 -2.516 -13.401 -14.479 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 -1.248 1.746 6.812 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 -13.587 2.587 6.403 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 11.275 -27.669 13.894 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 5.632 0.822 1.865 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 3.626 -2.268 -0.054 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 5.977 -11.590 20.853 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 -5.766 9.152 2.690 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 -9.855 -2.062 -6.084 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 -14.538 11.325 2.827 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 -4.427 0.391 -2.630 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 7.621 -14.741 1.838 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 5.440 -9.523 -11.155 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 5.987 6.061 -0.052 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 17.677 -5.603 4.705 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 -2.581 9.087 -25.473 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 -4.085 3.339 -0.459 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 1.831 -2.298 5.255 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 9.147 -14.962 8.259 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 -4.538 3.362 -5.785 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 -13.305 18.552 -4.770 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 16.886 20.089 -13.410 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 -4.412 -6.390 -0.836 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 0.112 2.807 -1.742 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 -3.814 -5.730 23.498 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 -0.082 -2.733 2.376 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 -1.950 20.628 13.631 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 -10.542 -7.334 3.617 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 -2.306 -6.399 3.869 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 6.021 0.984 8.672 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 3.187 5.024 -1.213 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 1.245 3.164 -3.341 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 -1.312 -4.049 -6.004 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 12.099 6.233 -14.496 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 -0.418 -1.668 -0.211 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 -0.470 -9.765 -2.912 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 0.954 30.330 8.609 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 -5.061 3.593 5.722 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 6.244 2.217 12.067 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 5.697 -17.822 0.864 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 -2.210 -0.923 -0.114 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 2.666 4.365 0.381 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 10.251 12.223 -0.131 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 -1.309 -4.683 -0.290 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 -7.486 7.931 1.546 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 17.005 -7.663 6.689 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 1.772 -1.335 -4.886 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 -8.222 -6.006 -15.460 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 1.423 -2.218 10.462 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 0.796 -2.983 1.317 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 4.209 2.426 -17.584 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 1.814 -16.342 13.476 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 -0.313 -1.062 -7.301 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 -6.364 -9.051 -15.492 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 6.427 7.119 -33.642 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 1.284 1.082 2.217 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 14.314 -0.377 3.607 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 -17.918 2.148 -4.194 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 -8.334 1.036 0.906 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 -8.606 0.148 1.735 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 -1.302 -8.505 6.758 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 -2.372 2.837 7.316 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 -3.749 13.738 27.744 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 9.395 16.610 -6.423 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 1.114 -0.054 4.011 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 -7.991 9.160 -14.091 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 8.197 13.705 -29.132 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 -5.272 -0.897 5.908 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 5.522 5.811 6.577 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 -0.713 -0.353 0.032 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 1.920 12.234 1.616 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 6.326 -0.717 -0.240 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 -1.883 13.402 14.000 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 7.188 -0.042 -2.582 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 -4.183 -18.976 21.177 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 42.106 -10.372 -11.904 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 4.571 5.684 -4.563 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 27.865 5.634 -2.932 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 8.458 0.096 10.253 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 -3.821 1.770 0.894 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 -7.240 0.064 -2.424 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 -6.910 9.824 -2.517 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 -2.600 -0.566 -1.933 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 9.549 -1.895 4.548 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 -5.047 -5.042 0.233 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 -4.680 -5.873 -0.731 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 17.345 10.928 0.567 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 -14.883 11.896 7.517 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 -0.225 4.925 -1.613 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 4.522 -7.935 7.998 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 17.841 19.846 4.904 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 -2.446 1.056 -1.429 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 0.216 4.697 1.034 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 4.966 12.163 5.223 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 2.056 1.110 3.368 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 -10.540 -7.703 -1.792 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 -4.453 4.684 1.823 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 2.298 2.652 0.476 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 -15.767 0.971 -6.931 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 -13.136 6.754 6.183 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 -1.211 -0.492 -1.807 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 -6.047 4.220 9.885 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 -11.638 -0.604 -6.793 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 1.425 -4.769 -4.645 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 2.033 -3.688 -4.703 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 2.726 -0.948 10.330 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 -2.317 -1.830 4.912 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 16.464 -17.456 -5.239 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 3.482 6.651 8.003 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 3.848 -3.846 -4.882 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 8.570 18.451 -17.785 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 -3.077 -0.429 22.546 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 -0.559 5.687 7.669 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 14.128 -21.734 8.782 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 7.725 -4.830 8.285 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 4.599 8.842 -3.845 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 3.066 15.363 -5.661 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 3.134 12.531 -3.256 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 -5.112 -8.626 -5.596 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 0.820 -5.681 -7.860 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 -40.023 24.759 -13.356 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 -2.083 2.038 -1.870 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 -2.031 -9.088 0.778 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 11.572 -6.175 -5.830 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 -2.434 5.801 0.434 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 3.924 11.215 4.982 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 -2.297 -4.436 -14.454 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 -0.219 0.575 -3.820 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 -2.948 21.464 2.858 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 -4.387 6.810 -7.536 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 0.158 -1.578 1.968 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 -0.268 2.245 9.649 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 -2.979 -3.367 -11.500 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 6.485 -5.058 0.381 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 -1.213 -13.847 -2.288 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 -13.929 -34.397 -3.545 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 -8.454 -1.718 -5.901 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 0.116 10.647 -0.013 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 -6.697 -2.883 -21.459 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 4.497 -5.703 4.087 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 18.956 15.186 6.404 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 -11.017 -12.327 12.022 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 -5.419 2.231 -0.008 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 -1.194 3.206 1.605 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 -8.844 5.724 -2.312 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 -2.301 -1.786 -3.127 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 0.010 11.355 -15.220 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 -10.864 0.194 -5.061 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 -0.851 1.365 -12.237 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 -1.809 0.018 -18.743 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 -1.056 -0.618 -9.405 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 -6.541 -2.320 -2.335 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 -12.044 -9.822 -12.180 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 -8.186 3.946 3.425 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 -3.726 1.343 -3.049 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 -16.268 -11.530 -3.450 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 -12.631 0.502 -7.888 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 1.640 -2.339 -2.131 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 12.601 6.805 -0.644 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 -1.082 -5.184 -11.235 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 -1.826 2.136 2.092 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 1.344 5.583 -23.354 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 4.793 -6.654 15.959 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 -3.514 2.201 4.357 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 15.520 19.664 9.871 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 6.642 -13.097 -11.017 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 0.370 0.337 -0.518 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 -5.159 -3.152 -9.898 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 17.486 -9.204 7.346 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 -3.996 -4.004 1.751 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 -5.040 -6.569 -1.925 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 -6.346 9.560 28.610 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 5.501 0.029 4.121 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 12.180 -12.331 10.117 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 10.497 0.487 -13.799 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 -0.839 9.211 -2.298 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 25.533 2.805 -16.168 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 -0.897 -4.617 -7.010 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 3.663 -0.260 -3.396 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 -2.960 -5.494 -0.580 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 -1.651 8.106 -2.446 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 -6.426 -8.679 2.056 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 2.656 -15.701 -11.938 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 14.574 -27.593 9.205 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 0.765 -2.600 -3.035 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 -6.180 -14.137 7.048 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 -0.388 6.275 0.895 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 0.557 1.503 -0.880 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 -22.601 -5.127 -4.711 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 5.875 -0.899 -3.410 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 -0.968 -5.818 0.308 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 -17.811 4.996 -11.023 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 5.204 -3.602 -5.344 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 4.629 3.656 6.006 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 23.277 -11.030 -18.881 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 13.379 14.940 17.193 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 2.704 -4.123 3.327 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 -6.001 15.879 2.087 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 8.941 -3.800 -7.328 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 4.098 -2.479 -4.613 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 -6.664 -3.887 1.809 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 -0.947 -0.836 -3.369 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 1.682 -1.291 -2.352 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 10.599 11.531 -7.194 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 -5.806 3.065 0.160 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 -2.989 0.197 6.381 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 -4.805 -4.342 1.696 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 9.717 -13.590 -18.196 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 -6.372 5.535 -2.912 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 -3.571 8.137 8.981 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 -5.504 -0.057 -1.436 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 1.517 1.198 2.917 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 0.592 11.577 1.685 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 2.064 9.683 12.014 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 -5.392 -2.000 4.708 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 -0.922 -16.971 7.498 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 -8.090 0.994 -5.756 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 -0.660 1.711 5.667 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 13.855 16.684 20.712 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 1.396 -4.854 -20.533 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 1.437 -8.970 2.704 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 32.408 -0.792 -21.612 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 -19.929 -17.551 -0.782 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 -5.124 3.196 -0.495 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 6.534 10.390 5.743 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 0.011 -1.077 -11.978 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 5.882 -0.295 -0.086 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 -1.153 12.693 -23.587 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 24.287 -10.722 -1.466 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 -6.793 -3.977 1.061 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 -9.635 -6.268 -29.838 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 -19.024 24.946 28.926 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 0.735 3.146 1.390 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 5.718 11.791 2.968 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 -9.402 -13.091 -3.798 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 -2.823 -1.160 -1.076 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 0.060 16.651 8.914 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 -11.201 -10.832 -4.167 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 4.995 -1.933 0.816 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 6.674 7.065 -9.294 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 3.812 -2.225 -2.525 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 -1.675 0.398 -3.291 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 -5.628 10.917 -8.018 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 -7.650 3.239 5.141 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 5.882 -2.291 3.414 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 -20.653 -1.188 6.605 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 -7.689 -38.073 -7.152 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 -0.266 -0.707 2.670 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 -2.962 11.738 -21.183 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 0.410 23.033 28.483 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 -6.567 2.064 2.074 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 1.705 -7.363 1.345 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 -4.473 -24.674 14.913 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 -2.894 5.777 -5.451 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 -11.808 7.777 -7.916 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 0.026 -1.297 -10.246 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 0.912 4.615 -1.113 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 -9.937 -7.522 -2.926 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 8.135 5.543 -10.124 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 -5.312 3.659 -2.916 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 -22.102 20.821 -2.672 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 -8.560 15.237 9.431 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 -2.125 -1.635 -1.417 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 1.966 -7.918 -0.681 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 -5.382 -3.314 8.971 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 -0.679 0.843 -0.162 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 23.447 -16.461 -22.195 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 -2.723 -5.260 -9.110 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 1.445 3.318 0.372 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 5.035 6.486 -11.701 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 5.292 13.872 14.422 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 1.276 1.987 -1.721 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 -1.099 14.580 -7.566 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 2.163 3.990 8.692 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 -4.756 -0.093 3.401 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 -10.652 -16.421 0.177 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 1.026 12.107 -21.911 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 4.611 0.560 -3.797 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 -0.565 1.888 -3.913 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 -4.655 -1.103 20.066 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 -0.800 -2.233 -1.032 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 -36.175 -4.793 -12.791 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 -10.993 9.956 -6.536 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 -1.277 1.710 3.558 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 16.998 5.828 15.173 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 -8.752 -4.068 21.385 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 11.389 -4.929 -0.538 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 -5.246 1.401 -31.555 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 2.085 12.843 -6.343 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 3.501 4.223 -1.572 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 -0.105 15.225 -33.866 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 -2.877 -7.252 25.119 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 1.679 -3.199 5.789 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 0.804 -3.868 4.164 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 1.542 -8.273 3.322 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 3.112 0.508 -6.579 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 20.827 -5.070 5.256 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 -4.370 3.656 -10.140 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 -6.492 -3.873 -1.340 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 -6.218 1.237 -3.008 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 -4.438 -7.313 -1.926 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 -4.234 2.182 -0.970 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 -5.557 18.571 4.215 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 0.641 -3.300 5.307 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 -1.926 3.990 2.480 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 11.742 6.451 -16.489 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 -28.584 -9.804 -14.961 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 -2.988 5.219 -1.197 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 -20.772 3.210 -20.537 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 -15.406 -4.628 20.054 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 3.637 -0.693 -6.065 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 -17.781 -10.554 -9.193 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 3.738 -19.814 -2.818 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 1.565 2.053 0.509 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 -5.715 0.102 -1.799 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 2.845 12.323 2.309 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 1.261 -4.830 0.037 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 -6.940 -7.901 -0.596 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 -9.886 5.462 4.838 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 6.054 2.438 2.700 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 -13.769 4.643 23.047 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 -9.575 5.212 -20.010 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 -0.398 -3.146 -3.918 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 -3.904 11.225 32.342 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 19.617 1.726 -7.101 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 4.821 0.026 -0.842 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 1.851 1.710 -4.132 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 4.869 -8.598 2.119 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 -0.410 1.550 9.383 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 -3.810 13.265 -6.504 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 -10.214 4.584 19.947 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 -2.231 0.431 -2.393 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 13.783 14.977 -14.961 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 34.223 15.802 9.533 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 7.666 -3.145 1.882 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 -21.028 1.946 -21.042 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 1.412 11.728 -6.554 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 4.179 -6.567 4.900 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 1.939 -2.505 3.746 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 -0.505 5.413 -13.426 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 1.672 -2.007 3.637 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 -1.912 4.638 11.563 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 -4.366 1.029 3.607 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 3.605 -4.174 3.024 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 17.658 47.713 24.018 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 -5.594 5.705 15.980 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 1.367 -5.255 -3.374 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 25.872 -9.250 5.100 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 -25.603 13.395 -18.955 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 -1.250 1.566 -0.061 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 -9.588 19.668 -14.221 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 -3.085 -14.215 -9.831 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 1.116 -0.249 9.534 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 9.946 12.401 -1.144 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 -8.652 -10.357 9.152 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 3.668 -1.108 -0.263 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 18.070 -7.339 8.340 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 9.972 -8.210 -27.984 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 -2.286 2.826 1.155 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 -1.759 -13.406 9.286 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 -0.608 -11.321 22.202 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 -6.495 -1.994 -3.029 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 -14.396 -11.499 -11.558 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 0.729 5.441 -12.162 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 -3.503 -4.218 5.275 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 7.601 -15.431 -13.455 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 9.198 8.239 7.367 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 1.283 -2.557 -7.236 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 8.219 -1.517 28.398 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 20.977 6.047 -5.609 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 -4.991 0.201 -1.198 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 9.260 5.391 7.194 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 -7.126 -22.841 -19.174 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 2.724 2.910 3.592 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 4.867 -11.435 5.412 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 14.836 14.182 5.325 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 -6.680 1.692 -4.750 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 -7.197 6.705 6.067 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 10.267 -14.845 32.941 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 -2.586 4.929 -4.590 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 -6.303 7.776 -2.993 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 32.610 20.592 -4.283 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 -1.615 3.557 1.861 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 1.303 -0.476 2.802 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 7.855 6.663 -16.712 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 2.210 2.060 7.128 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 -3.913 -1.191 -28.371 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 0.403 8.760 12.805 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 4.843 1.580 -4.604 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 30.921 -3.991 3.616 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 -5.909 5.451 -0.722 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 1.900 -2.996 1.317 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 1.344 -0.284 -1.414 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 0.965 15.167 -4.953 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 5.240 4.517 -0.986 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 10.073 -9.573 4.820 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 -1.014 -8.879 9.864 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 -5.172 3.610 -3.864 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 -6.071 9.713 -20.458 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 -17.673 8.284 8.578 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 -2.734 -6.999 -2.713 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 3.611 -12.433 -0.444 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 7.367 -7.019 2.225 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 0.636 -2.731 3.763 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 -27.372 -18.966 14.245 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 -15.043 16.488 13.783 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 1.273 -2.057 2.969 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 10.471 -0.115 4.094 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 -1.622 -8.540 -0.720 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 0.062 -3.075 -0.093 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 8.858 -0.937 -19.152 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 -10.289 8.557 7.855 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 -4.987 -0.187 -0.741 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 -12.222 -1.452 15.256 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 11.831 -8.679 -1.091 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 -2.427 2.335 5.086 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 0.520 -0.233 4.576 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 -10.182 10.027 14.663 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 -2.802 2.048 -2.231 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 -1.917 -6.969 -5.735 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 -7.292 35.272 14.495 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 -3.169 -3.822 -4.149 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 -0.161 7.754 -3.885 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 -0.317 -6.993 -15.395 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 0.748 -4.532 -7.014 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 17.141 -7.014 6.240 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 -21.347 -6.373 14.601 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 0.866 -3.546 -3.676 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 -7.252 -26.622 10.968 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 3.403 13.488 1.304 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 6.941 3.607 10.272 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 13.892 13.092 -3.067 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 -11.482 -23.505 -12.300 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 2.541 3.661 -1.331 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 3.126 3.787 12.440 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 4.118 2.545 -8.607 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 -5.717 -0.040 4.034 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 0.138 34.539 -7.295 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 -3.632 -7.026 -3.883 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 -7.502 -1.710 -4.335 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 1.994 19.688 12.580 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 -8.333 -19.334 14.810 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 -0.982 1.978 3.893 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 1.632 -16.251 -7.163 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 6.790 10.621 11.814 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 7.364 -0.315 0.477 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 -17.017 -27.949 12.061 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 22.595 12.800 -14.898 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 1.934 2.555 -6.479 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 -10.978 1.973 -23.916 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 -30.200 -7.112 -1.547 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 0.999 0.386 -1.732 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 11.688 -20.713 11.132 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 11.717 -24.072 11.901 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 0.287 7.722 -5.635 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 10.807 -4.085 -7.128 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 10.426 -6.998 -12.862 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 -6.566 2.455 -2.488 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 0.151 -9.168 6.987 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 -10.000 2.223 -0.821 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 0.727 3.355 1.450 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 -4.850 0.185 3.722 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 5.520 -2.284 -0.049 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 6.446 -1.138 -5.247 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 6.768 -15.093 -0.150 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 10.232 9.433 -3.132 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 -4.018 -5.736 -0.942 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 -20.718 -0.180 -10.625 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 -7.072 -4.071 11.163 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 0.411 -0.955 0.517 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 -5.028 11.891 27.326 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 -24.030 4.295 -6.860 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 6.700 1.553 -4.362 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 0.486 -3.505 -9.673 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 -6.047 5.432 -2.808 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 2.696 2.272 -2.228 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 10.631 14.145 -3.226 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 -11.100 -9.533 -8.914 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 -1.240 3.817 0.056 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 -22.128 16.734 11.148 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 12.136 -14.490 7.203 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 -4.263 -2.087 4.625 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 9.576 -1.138 -6.451 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 -2.438 12.802 11.297 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 -3.519 1.227 5.474 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 18.967 4.031 5.856 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 -6.917 18.622 3.868 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 0.159 -3.264 -0.703 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 -5.762 -15.546 -4.535 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 -1.610 -2.416 -0.799 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 -3.615 -3.373 1.372 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 -3.389 -12.086 -26.664 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 6.618 24.829 7.156 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 -0.278 -6.274 -1.450 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 1.621 -14.554 -2.387 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 10.543 -7.692 -12.320 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 0.244 1.714 0.444 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 -6.519 -1.902 19.090 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 6.239 -3.646 -6.813 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 -4.963 -1.635 4.975 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 23.969 -25.518 -5.557 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 2.006 -15.826 1.895 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 0.464 -3.560 -1.485 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 4.226 -6.915 1.987 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 -3.970 4.843 -15.227 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 5.990 5.347 5.945 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 8.378 -15.078 9.651 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 16.201 -10.080 7.279 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 2.786 5.571 -4.448 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 0.848 8.808 -5.051 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 11.984 -2.734 -13.559 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 2.251 3.038 1.074 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 -9.806 2.791 -3.144 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 4.774 -6.206 -3.758 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 4.635 0.852 -3.735 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 6.572 0.599 41.761 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 -3.164 14.228 7.333 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 1.976 -3.140 1.891 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 8.476 8.978 -1.552 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 7.327 7.578 3.468 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 -6.373 -2.294 -2.294 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 -8.521 -1.030 -3.099 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 -2.390 -8.804 -3.936 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 -4.052 0.526 -0.156 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 -0.970 4.046 -11.773 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 -18.042 3.296 -0.928 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 0.692 1.163 -3.752 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 -17.827 16.334 0.822 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 9.392 5.208 -22.615 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 3.552 -0.633 1.419 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 10.133 -0.173 5.800 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 -3.800 -0.209 -4.981 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 -1.677 -3.528 -2.490 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 -2.858 -7.870 4.445 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 3.782 5.575 -3.747 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 -3.120 1.194 -0.349 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 -14.809 5.202 -2.530 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 -11.952 1.592 -0.642 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 -2.431 5.459 9.013 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 1.563 21.228 -6.287 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 8.567 -4.971 0.907 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 0.627 -6.499 2.427 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 -4.852 15.559 -3.225 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 -15.917 -20.081 27.721 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 2.703 1.239 -2.671 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 -7.397 10.892 7.225 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 -16.601 8.925 9.368 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 -2.563 5.297 5.543 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 -2.561 13.517 1.926 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 -2.332 -19.122 11.761 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 3.066 -3.051 3.998 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 -8.735 -14.463 21.438 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 -12.927 5.914 4.587 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 1.203 -0.709 -4.765 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 -8.808 6.702 -7.786 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 5.117 2.568 -3.606 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 -3.809 -0.975 2.946 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 1.346 8.276 9.257 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 -6.072 -11.274 -4.330 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 -2.007 -3.114 -3.608 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 -2.092 -0.680 10.131 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 -8.978 -11.042 9.536 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 0.653 -2.414 -2.793 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 -9.773 -12.510 4.413 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 2.850 15.192 6.968 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 -0.650 -5.675 3.905 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 3.741 -15.974 -4.117 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 5.593 3.486 20.783 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 -0.116 -0.207 -2.676 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 28.296 -9.341 11.035 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 1.372 33.085 10.852 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 0.339 -2.409 1.260 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 1.319 -1.942 -12.791 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 6.356 -9.613 14.671 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 1.473 0.634 -4.489 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 2.510 -5.746 1.226 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 16.887 -1.970 4.231 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 0.636 -0.007 -1.814 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 9.043 2.148 -3.676 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 1.755 6.683 8.940 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 2.352 -4.538 4.743 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 10.500 -2.830 -11.215 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 -3.461 -1.537 7.337 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 2.796 -1.152 2.264 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 8.777 19.466 1.043 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 -4.933 -1.388 2.506 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 1.140 0.408 -2.668 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 -9.225 13.422 -1.511 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 15.121 2.935 -5.010 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 -4.899 1.235 1.980 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 6.889 6.897 -4.685 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 1.713 4.438 -0.772 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 -4.855 -0.084 -0.889 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 -1.903 20.717 -7.219 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 -5.768 -2.140 -9.516 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 1.142 4.494 -0.185 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 1.856 12.929 13.975 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 -0.626 5.554 -7.101 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 1.859 2.423 7.524 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 4.865 12.445 -5.311 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 -2.010 -4.641 9.679 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 -1.030 0.612 0.617 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 -7.578 14.607 -1.828 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 -2.874 0.851 1.982 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 1.552 -2.289 4.718 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 3.375 15.377 15.743 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 -16.979 24.430 13.172 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 -0.689 -3.679 5.038 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 -10.564 -11.534 0.816 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 -9.425 -9.207 6.055 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 1.771 7.526 7.184 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 -7.659 -8.722 15.836 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 0.712 -2.649 14.612 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 5.878 2.164 0.413 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 11.349 -1.412 -2.505 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 10.373 1.973 4.045 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 -0.261 -6.086 6.830 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 6.270 -14.625 1.315 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 4.649 29.837 -5.494 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 -0.786 -2.853 -0.512 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 -3.827 11.614 9.709 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 -0.055 -8.125 -3.688 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 -2.729 0.925 -2.076 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 5.012 7.757 -11.268 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 -21.613 8.017 -17.062 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 -0.127 -5.074 2.269 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 -13.557 -11.672 -3.220 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 4.639 -13.378 14.557 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 6.132 -1.644 -3.320 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 2.724 2.178 -9.839 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 -10.473 -6.280 22.910 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 -0.657 -1.805 1.222 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 5.983 -6.691 10.041 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 -11.571 -0.758 -0.687 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 -7.674 0.541 -2.528 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 17.240 10.852 11.203 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 -8.829 -1.126 -3.888 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 -7.024 -5.847 -5.349 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 16.360 6.797 -2.847 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 0.857 -2.823 7.329 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 0.511 -3.086 0.669 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 6.927 0.906 -6.152 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 4.992 -5.894 0.253 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 -8.373 -1.905 0.768 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 13.064 1.771 1.502 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 -9.463 10.992 27.019 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 -2.382 -7.250 -6.459 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 -15.743 -26.616 13.699 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 3.758 1.894 -10.999 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 1.192 -0.666 0.672 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 12.159 -8.658 1.540 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 0.854 1.977 -0.327 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 0.844 -6.126 2.988 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 -3.479 -6.749 4.626 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 26.607 0.293 -11.031 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 6.782 -5.494 7.629 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 7.700 -4.315 13.785 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 14.061 11.658 0.929 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 -0.366 3.676 1.322 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 -5.267 4.593 20.010 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 -17.231 -10.631 6.732 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 -9.885 -0.865 2.425 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 25.305 -0.953 -3.786 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 5.064 -2.844 -4.447 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 5.050 3.299 0.128 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 0.591 2.691 1.456 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 13.158 -5.205 -16.616 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 2.287 -2.920 0.542 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 -10.299 -2.103 6.757 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 7.302 -28.808 -4.425 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 6.039 5.995 -0.056 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 12.068 7.067 2.407 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 -1.696 1.002 -2.469 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 5.327 2.393 -2.028 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 -1.740 -13.552 6.272 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 -9.200 14.180 10.220 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 -0.957 -1.857 -0.947 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 -7.115 1.601 -5.456 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 -16.191 -7.845 -9.243 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 3.215 1.400 3.339 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 10.392 -24.399 -12.409 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 1.539 11.122 5.608 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 -0.719 2.834 -6.208 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 7.159 24.057 -5.245 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 4.427 -2.957 -15.262 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 -1.729 1.238 -3.426 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 -10.153 -6.822 -15.970 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 0.303 12.498 -1.901 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 -6.046 1.882 5.284 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 2.257 -2.099 -1.411 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 -3.886 5.726 8.898 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 -2.295 5.107 5.990 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 1.354 20.029 4.825 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 1.930 -9.630 10.218 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 -5.608 5.069 3.277 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 3.099 -0.122 -6.967 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 -5.643 10.061 6.889 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 -0.832 -2.801 0.567 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 -15.059 -12.750 -8.275 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 -10.170 -1.618 30.449 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 0.341 -2.770 3.438 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 -10.322 -6.328 0.901 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 -3.623 -0.676 10.790 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 -5.930 -6.038 -1.618 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 -4.466 -6.909 -5.435 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 -1.157 -1.913 -3.056 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 -2.043 5.961 -2.130 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 4.969 11.385 7.686 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 10.744 8.239 -9.677 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 1.642 8.721 5.105 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 25.656 -2.602 13.006 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 -7.465 -4.056 7.385 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 0.053 0.172 -2.719 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 27.573 16.236 -2.544 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 -2.837 7.812 -5.533 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 4.044 -0.880 -1.785 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 -36.286 -8.613 22.405 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 19.358 40.990 -1.367 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 -0.219 6.642 1.172 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 -2.542 -0.787 0.382 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 -0.645 6.893 5.980 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 -4.278 1.352 -0.003 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 1.805 -16.296 -6.496 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 -5.711 16.868 4.031 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 -7.106 3.066 1.565 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 -4.815 8.383 -8.179 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 -9.395 -1.858 -2.452 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 -0.540 2.199 0.631 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 18.384 3.157 13.730 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 -22.925 -10.796 7.835 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 -3.197 -1.081 0.196 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 -1.275 -4.256 -11.501 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 9.162 -0.665 -20.548 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 8.442 4.929 0.955 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 12.433 -6.449 -14.985 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 -1.304 -39.102 -6.091 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 -3.521 2.872 0.418 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 -6.237 3.081 -8.062 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 4.328 9.415 -1.541 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 -0.072 3.938 -3.009 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 3.126 -7.021 14.253 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 7.147 21.539 -32.111 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 1.041 -3.919 -2.468 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 -3.423 -0.241 -10.572 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 -14.517 10.354 -8.163 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 3.015 -1.028 -0.900 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 6.791 4.665 -14.566 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 0.563 1.255 -6.657 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 -5.445 1.420 3.150 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 -4.591 -18.921 -6.462 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 -4.670 -3.027 -1.969 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 4.288 -4.993 2.923 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 -23.091 7.065 -8.248 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 7.697 0.292 5.875 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 -1.609 -4.070 -0.113 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 -2.752 -30.407 -8.804 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 -3.379 3.182 -19.289 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 2.431 6.195 -9.651 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 9.652 -1.028 10.001 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 13.053 16.637 -3.382 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 -7.823 -9.642 2.899 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 -11.244 -4.136 4.176 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 -12.856 -6.148 12.511 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 0.258 -1.395 6.968 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 9.830 12.905 -3.588 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 6.601 10.812 0.044 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 2.028 -6.800 -2.247 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 -11.134 1.691 9.172 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 4.699 -24.980 8.653 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 0.557 -2.208 0.381 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 -9.277 -6.960 -2.045 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 -1.332 9.651 -3.566 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 -2.495 0.420 -2.530 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 1.645 -3.282 -9.576 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 -0.139 -5.983 16.122 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 0.356 0.931 -0.088 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 0.577 5.455 -9.927 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 3.460 7.250 7.307 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 -4.222 0.526 -5.634 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 5.105 3.010 5.636 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 2.571 1.026 3.876 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 9.087 -0.112 -0.198 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 -13.289 1.504 -7.838 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 24.278 -18.893 8.551 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 3.770 -2.841 0.978 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 -4.682 -14.263 11.863 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 -8.410 10.632 -2.280 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 -4.529 1.898 -9.279 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 -11.502 -3.994 -8.183 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 -5.777 10.187 -1.594 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 8.053 -2.349 -1.223 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 3.927 -4.028 -1.008 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 15.027 -1.044 -1.670 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 -0.270 0.819 4.335 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 -2.188 -17.670 -8.861 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 -20.965 3.312 4.418 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 -6.365 2.941 2.657 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 0.211 4.659 6.144 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 -10.639 -16.543 -2.428 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 0.056 -2.475 2.395 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 12.345 1.070 11.142 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 -6.911 -6.093 6.436 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 5.712 -5.330 7.229 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 -12.097 4.704 -4.526 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 13.520 -0.118 -14.284 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 5.933 0.775 -2.179 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 -1.494 7.852 -5.487 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 -0.988 5.051 -14.122 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 0.636 -5.474 -5.750 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 20.080 -10.225 0.533 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 13.418 -17.780 10.657 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 -3.653 3.351 1.457 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 -9.983 -4.481 1.413 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 -6.412 9.722 -7.693 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 0.422 -5.733 4.852 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 0.668 -2.423 -15.280 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 -22.811 -9.767 7.852 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 -1.796 -2.454 3.478 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 -4.371 -3.653 -4.433 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 5.836 16.981 -7.350 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 2.250 -2.664 -2.901 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 2.196 -2.089 -2.508 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 11.632 7.628 5.687 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 5.015 -2.074 6.264 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 1.049 6.510 5.688 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 0.825 7.704 4.474 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 -2.267 5.614 3.505 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 5.206 -10.428 -9.771 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 -2.190 -10.700 23.328 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 6.358 0.148 0.678 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 8.901 -10.904 -12.835 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 -14.403 -1.222 4.866 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 1.248 4.544 7.368 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 3.919 5.915 6.413 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 27.936 6.408 -11.269 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 -5.203 6.203 1.737 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 -4.348 11.026 -4.161 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 2.842 -2.226 10.471 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 -0.758 -1.204 0.485 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 18.405 19.257 -10.267 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 4.751 -8.995 30.129 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 -3.003 -0.708 -0.554 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 -8.668 25.727 4.152 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 -8.809 -3.705 -5.469 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 2.836 -3.524 1.117 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 3.456 -8.882 -6.381 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 -11.674 -0.196 5.462 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 -0.612 5.579 1.332 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 11.070 10.585 10.801 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 -5.965 -0.810 -9.145 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 -0.907 1.226 -4.204 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 2.432 -8.583 7.061 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 -9.629 -5.260 -12.865 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 -4.538 -1.865 2.619 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 -14.348 8.941 6.912 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 -2.339 3.760 -0.485 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 -1.522 -2.097 -6.335 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 -10.657 -7.257 -6.793 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 -3.765 8.305 -11.861 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 3.825 1.155 2.644 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 14.531 0.864 -16.747 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 -13.043 7.767 -4.773 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 -3.412 -3.249 -2.447 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 -2.711 6.003 -4.722 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 1.687 -0.643 2.771 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 -0.530 -4.767 -6.101 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 -34.269 -28.743 -7.421 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 3.667 20.463 -5.430 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 -0.899 1.602 -0.945 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 -28.818 0.103 24.142 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 1.733 23.950 8.786 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 2.476 5.138 5.880 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 -0.272 -32.849 -5.814 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 -18.706 19.629 -28.455 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 3.603 0.162 -0.904 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 14.688 7.607 10.466 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 6.600 2.206 -7.772 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 -3.518 -2.218 3.499 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 -16.700 -15.814 20.351 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 -12.221 10.432 -2.771 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 4.637 3.602 2.245 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 12.440 25.546 2.889 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 -9.865 -11.257 -2.471 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 -5.776 -5.087 -4.376 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 7.780 -0.567 -2.277 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 -6.141 -3.286 -7.140 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 -0.385 -6.584 -0.319 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 8.671 -0.756 0.989 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 7.519 -0.695 1.342 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 3.535 1.626 6.556 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 -31.491 26.492 11.073 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 -8.110 -8.466 -22.907 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 2.752 3.525 -3.282 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 -10.585 -25.112 21.334 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 -0.228 -11.401 -19.745 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 1.924 -1.032 6.038 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 -5.417 -12.401 -3.766 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 18.308 -7.516 15.618 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 0.273 2.572 6.391 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 8.672 10.983 -4.673 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 -18.285 -1.242 0.788 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 4.706 4.233 -2.641 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 14.521 4.022 -7.046 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 -3.386 -2.686 -5.690 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 2.429 1.372 -0.790 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 -6.149 15.057 -1.562 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 7.777 -7.077 0.542 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 7.083 1.831 2.783 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 6.602 2.542 2.468 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 10.879 0.693 -5.574 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 -4.380 -1.686 -1.826 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 -11.172 -5.518 -1.333 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 6.254 8.668 3.801 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 -2.812 -6.103 1.310 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 -15.170 0.246 7.358 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 -14.876 -1.217 16.443 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 0.706 0.005 3.251 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 -13.743 12.110 19.962 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 9.628 13.906 10.987 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 4.018 3.706 0.031 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 6.594 -2.829 -8.927 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 -0.769 16.062 19.486 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 6.518 1.540 4.980 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 4.989 4.703 8.942 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 1.833 4.951 3.408 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 4.941 3.658 2.256 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 2.728 6.619 17.807 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 0.305 12.354 12.247 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 -10.269 5.993 -2.035 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 8.148 13.872 32.526 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 11.468 -10.173 -12.460 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 -4.983 -3.921 5.242 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 -1.092 -3.332 1.759 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 -5.947 -4.189 13.713 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 -4.093 -5.664 -6.909 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 10.126 -7.387 -1.525 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 -6.129 -8.727 -2.353 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 1.497 -5.811 -2.055 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 -19.043 -6.283 13.716 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 9.268 -27.373 -5.213 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 1.596 -0.582 4.336 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 -15.967 6.960 17.583 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 -5.576 -20.070 -5.556 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 -2.309 5.989 -8.445 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 9.854 21.342 7.295 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 14.686 5.515 -40.837 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 -1.333 -1.275 3.878 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 4.215 -1.994 13.371 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 -21.180 3.394 -1.124 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 -1.458 -0.152 -5.269 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 -6.134 -3.879 -2.199 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 0.602 -1.827 -8.464 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 6.100 -1.440 3.030 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 9.860 -1.579 16.050 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 15.505 12.995 27.956 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 6.008 -1.306 -2.132 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 5.309 -0.258 -2.875 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 4.148 -1.004 -3.821 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 -3.988 -5.161 1.956 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 17.955 1.400 -1.435 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 -7.578 -0.041 -5.493 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 2.474 0.007 -1.614 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 12.742 -11.238 -0.102 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 7.813 -4.025 3.791 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 -1.527 0.488 -0.659 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 -2.181 9.942 -5.981 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 -0.986 3.853 8.989 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 -6.687 4.769 2.534 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 1.871 2.535 12.909 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 -1.588 7.865 7.758 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 -3.426 -5.204 -3.611 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 -17.709 -4.580 -7.448 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 3.611 -1.975 -13.047 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 -0.514 8.396 -2.559 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 -24.395 -7.056 5.774 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 -6.858 3.063 -28.422 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 -6.725 1.286 2.060 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 -8.718 -2.544 13.698 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 -16.550 3.385 6.839 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 -0.351 0.973 -8.095 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 -9.379 10.463 4.637 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 2.292 3.768 -4.660 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 -4.944 -7.036 -5.651 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 11.413 -4.191 4.130 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 -13.406 3.692 10.131 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 5.712 2.911 5.432 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 -18.363 -11.810 -5.021 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 0.541 0.325 4.395 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 3.621 -11.181 -2.449 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 -5.582 -8.504 4.671 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 11.924 -8.351 -21.134 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 1.681 3.390 1.320 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 -5.220 4.413 -5.189 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 13.282 -8.664 -4.107 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 -3.932 0.867 -3.302 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 -25.203 -11.210 -0.484 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 6.597 -23.038 -14.412 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 2.002 4.927 5.805 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 3.695 6.209 -12.363 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 -6.333 6.073 13.466 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 5.459 -1.992 -3.106 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 7.438 -27.347 8.864 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 5.221 -1.422 -1.326 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 2.711 3.185 2.258 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 -3.329 -9.366 -5.144 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 3.596 2.893 40.614 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 -2.054 2.560 2.651 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 9.046 0.535 -2.968 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 9.897 -19.705 0.668 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 -3.715 -5.071 2.187 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 -10.181 -14.200 -11.619 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 -20.459 -38.765 -31.905 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 4.798 3.326 -2.111 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 -0.455 7.279 -6.318 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 8.094 -0.981 -8.431 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 -5.574 5.315 -3.662 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 -6.607 6.398 -9.379 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 -3.467 24.209 -7.072 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 -5.015 -0.806 -0.917 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 0.005 -13.065 15.100 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 4.065 21.870 -31.645 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 -4.975 -0.175 -1.627 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 -4.622 -8.886 2.600 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 -3.632 -6.164 -4.974 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 2.336 5.906 -4.615 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 -7.318 -4.740 -4.064 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 3.068 -8.383 -5.348 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 -3.451 1.301 -7.314 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 -4.868 0.653 -1.902 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 -6.005 10.392 -12.353 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 -0.060 -1.886 1.350 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 5.645 -19.249 -4.923 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 9.915 11.779 11.411 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 -4.017 11.021 -2.061 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 -10.689 24.214 -3.149 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 10.047 0.208 -2.493 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 -3.783 -6.778 -5.985 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 3.112 -22.240 -0.933 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 2.163 10.315 -15.534 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 2.814 0.049 2.057 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 1.781 7.158 -0.385 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 -15.920 -10.847 1.814 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 -0.351 1.037 -0.107 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 -7.630 -13.394 3.632 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 -13.422 -10.959 -16.398 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 -1.893 -0.367 0.137 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 -8.975 4.090 2.262 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 6.381 -10.532 0.625 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 -1.597 2.251 -0.913 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 -3.240 13.190 -1.938 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 10.714 -7.509 11.466 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 0.517 8.118 -0.581 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 19.461 -2.555 -28.096 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 -2.361 -14.768 -6.855 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 -1.172 3.248 2.701 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 9.157 -13.745 -23.172 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 11.793 23.614 -4.846 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 -0.522 -6.106 0.232 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 15.222 -1.177 0.405 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 4.837 -0.385 11.253 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 -8.006 2.336 3.996 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 -15.887 5.547 -13.098 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 4.443 5.286 29.550 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 0.023 -1.876 -0.043 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 -15.762 -3.709 0.158 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 5.571 -8.843 8.029 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 -4.197 1.776 -1.372 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 0.274 29.627 -11.468 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 -5.066 -4.349 0.189 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 6.417 -0.121 -4.540 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 5.040 0.745 -3.795 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 6.883 0.657 -7.433 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 -2.736 -2.807 1.123 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 -13.100 -6.268 5.589 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 -11.941 9.385 13.072 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 -4.635 2.370 -5.070 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 -7.458 9.301 32.932 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 17.804 -0.242 -14.060 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 -2.951 -1.062 -3.034 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 -5.207 -19.663 -1.810 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 9.409 -7.572 -27.250 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 -4.507 -0.997 -2.887 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 13.526 5.964 -3.643 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 -3.422 4.495 -3.559 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 2.025 -5.154 3.590 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 -14.053 6.147 4.138 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 -4.112 -22.760 5.847 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 0.221 3.674 0.042 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 -23.407 -14.671 0.024 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 -6.950 1.570 0.722 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 1.310 -1.804 0.213 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 4.050 -5.790 1.312 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 -1.629 8.633 4.225 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 2.282 -0.806 -2.099 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 -8.044 -10.066 6.211 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 -5.338 -1.392 -7.647 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 0.744 -0.543 -8.131 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 4.028 -1.037 -11.446 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 1.314 -14.377 -20.309 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 3.018 3.315 0.785 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 -19.229 -10.426 11.674 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 9.063 6.271 4.477 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 3.378 -4.597 -0.008 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 -4.882 -2.291 -0.758 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 8.318 0.465 -1.094 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 -0.343 -3.102 -15.133 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 -6.463 -3.996 -6.995 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 -1.632 -4.682 -8.307 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 1.987 2.431 -5.506 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 -17.835 6.283 10.834 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 -14.527 -17.991 5.477 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 0.272 5.823 1.363 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 12.754 -21.853 21.187 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 10.784 -4.065 11.150 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 4.266 -2.780 1.297 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 8.603 -1.742 5.147 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 3.732 13.018 5.639 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 7.229 -5.784 -2.917 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 -16.110 -0.029 -3.305 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 11.687 -14.008 15.938 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 -6.325 0.408 4.170 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 -16.614 44.678 -2.098 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 -2.348 -7.977 8.309 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 4.190 -5.266 -1.650 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 -2.616 1.085 1.381 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 16.440 -2.596 -5.721 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 2.356 -2.519 0.889 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 -4.810 -8.775 -10.258 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 8.291 -3.144 -6.271 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 0.545 -2.380 -7.836 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 -14.918 10.961 15.494 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 13.599 -11.085 4.724 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 2.887 -3.574 4.019 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 8.203 3.421 -23.951 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 -9.877 9.101 8.132 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 1.502 4.384 4.741 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 9.426 -6.590 2.616 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 10.931 -8.730 -3.589 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 0.829 1.704 3.772 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 5.001 -1.019 -0.793 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 5.196 2.252 9.304 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 -4.714 -2.959 5.529 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 2.587 1.742 12.196 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 0.586 -13.180 7.715 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 0.416 -4.698 -6.310 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 13.026 9.052 -7.777 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 -16.840 3.391 6.352 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 3.489 -4.077 1.250 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 5.629 3.046 5.908 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 8.124 14.138 9.245 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 -2.916 -3.199 4.338 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 4.316 -0.496 6.767 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 42.516 18.036 2.667 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 5.723 0.493 -7.320 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 -18.227 -9.788 20.737 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 -23.587 3.480 -16.070 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 2.660 -2.471 0.308 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 -15.594 19.972 19.504 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 -0.375 -15.332 -5.645 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 -0.432 0.834 3.513 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 -14.707 -4.907 -12.488 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 -0.910 -1.165 11.863 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 1.054 0.007 2.355 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 19.118 0.973 5.246 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 -0.622 6.157 -13.248 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 0.051 -0.852 -2.060 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 0.380 5.155 -3.872 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 -0.537 -4.572 0.408 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 3.366 0.285 -2.858 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 4.077 -6.049 7.030 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 -2.811 -6.300 -17.610 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 2.283 -2.110 3.373 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 -0.958 -2.167 3.123 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 8.283 -1.292 5.678 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 0.238 -5.517 -6.956 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 11.304 -13.422 2.175 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 13.610 2.569 -7.246 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 -0.129 1.440 -4.937 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 2.195 5.921 -6.246 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 -2.036 2.716 -4.897 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 -1.985 0.795 0.065 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 -9.042 -6.027 10.602 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 7.944 -8.622 -1.792 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 1.377 0.334 -0.872 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 0.678 -15.095 -14.570 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 -11.646 -0.804 -13.938 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 -1.538 0.304 1.881 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 11.566 5.267 5.470 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 3.660 -25.995 13.694 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 3.556 0.357 1.683 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 13.000 -7.470 -4.180 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 8.228 -9.425 -5.029 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 -0.858 3.107 -5.041 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 1.710 3.975 -6.437 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 5.905 -0.088 -9.871 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 2.291 -3.906 2.683 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 -6.186 10.452 -3.275 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 -18.240 -2.072 -4.294 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 1.772 -3.401 -4.984 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 17.386 14.334 11.858 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 13.871 6.976 -15.045 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 1.252 0.088 -6.791 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 0.836 -14.112 7.728 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 1.713 0.774 4.866 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 4.342 -0.297 1.058 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 11.429 -10.491 9.624 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 7.055 -7.643 10.412 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 -3.060 -0.729 -1.629 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 -19.873 2.218 2.045 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 17.364 2.487 15.708 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 -1.298 -4.462 -0.922 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 -6.761 -1.093 2.425 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 -5.349 -2.380 4.913 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 6.814 -4.898 -6.152 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 1.977 4.195 4.153 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 -6.497 3.954 4.451 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 1.434 -1.410 1.425 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 -9.441 -23.626 -2.509 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 14.533 12.520 2.320 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 -2.993 2.825 5.705 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 -3.908 -11.138 4.411 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 16.779 -5.443 2.091 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 5.240 2.574 5.152 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 -12.734 24.466 0.025 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 22.923 -10.722 16.181 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 -11.671 -3.090 -3.516 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 -11.367 9.547 -9.296 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 15.465 2.800 7.889 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 -0.476 1.739 3.092 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 -19.958 -2.723 -9.338 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 16.609 -1.653 15.898 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 1.412 1.429 3.213 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 -27.585 -21.312 16.081 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 11.504 -3.242 -19.804 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 1.211 -3.555 -0.887 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 -4.478 3.358 -3.731 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 6.007 -4.674 1.856 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 5.192 3.855 1.014 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 4.236 -6.421 -11.285 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 -3.709 4.903 21.791 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 -0.471 -4.354 10.077 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 -17.004 -20.771 -18.437 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 -6.389 6.639 30.368 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 -5.494 0.293 -2.509 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 -5.612 -10.838 -13.884 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 -4.864 -14.735 7.594 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 -4.579 1.175 -1.342 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 15.675 -4.591 4.317 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 -4.459 9.177 8.593 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 5.745 -1.489 -3.653 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 18.193 -0.058 -9.880 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 6.717 -2.113 -3.717 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 5.623 2.278 -9.221 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 6.773 -0.928 -13.350 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 5.546 -2.381 0.537 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 1.491 -3.604 -10.697 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 11.526 12.141 20.383 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 -32.226 14.977 -15.521 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 2.588 1.820 5.084 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 10.428 5.735 0.398 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 -19.241 11.846 21.405 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 -1.704 4.127 10.755 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 2.711 -0.139 4.121 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 -15.238 -12.991 2.721 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 2.640 -0.079 -4.999 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 1.360 4.931 -15.223 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 23.151 -11.654 1.002 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 1.228 5.849 -3.707 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 -6.185 8.059 -12.714 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 0.705 -14.191 -1.684 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 0.804 -0.175 1.133 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 14.554 11.923 -10.292 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 3.574 -0.066 21.987 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 5.155 -3.639 -1.904 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 3.954 14.759 1.340 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 15.611 -7.041 18.025 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 3.747 -8.017 1.067 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 8.465 -8.849 3.614 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 15.040 0.300 4.231 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 4.764 -4.114 7.910 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 13.792 -8.834 -5.232 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 -9.364 -0.311 23.381 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 0.273 -2.934 3.165 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 1.030 -1.679 5.126 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 -7.779 -16.812 4.728 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 -1.002 -3.896 1.288 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 -8.081 -17.855 19.457 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 7.879 0.973 -1.880 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 1.739 0.968 -11.080 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 2.469 6.758 -15.678 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 -8.548 15.724 -14.202 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 0.089 -1.913 -2.612 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 4.948 -2.031 -7.867 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 16.871 35.389 25.640 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 1.410 5.784 2.129 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 17.460 16.997 20.052 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 -0.995 -13.845 9.989 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 4.743 0.393 2.327 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 3.482 7.423 14.327 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 7.249 5.647 13.374 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 1.131 0.982 2.981 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 -13.790 8.099 10.341 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 -11.926 6.712 11.161 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 -3.969 4.684 1.225 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 -11.050 2.470 3.659 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 1.131 4.756 -4.999 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 -6.113 -0.342 1.793 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 -7.501 -8.800 -5.019 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 -4.798 9.132 2.935 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 5.334 -5.356 -4.918 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 3.581 -28.237 2.125 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 -19.387 0.514 -8.718 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 2.043 -1.388 4.657 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 -3.167 -0.879 -13.089 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 -11.388 8.248 13.188 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 -1.428 -3.207 6.583 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 -8.294 -4.644 -1.999 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 -6.781 -4.164 -6.553 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 2.874 4.073 -3.941 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 5.147 7.559 -13.341 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 8.876 -0.398 -4.770 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 -2.295 -4.399 5.510 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 5.676 1.755 -8.431 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 8.204 7.099 23.847 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 -3.619 -5.090 1.846 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 -14.651 -14.197 -13.822 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 11.806 13.882 13.627 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 1.282 -5.866 0.938 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 9.185 -5.384 -13.722 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 16.705 3.756 -19.830 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 3.762 4.836 6.177 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 -22.703 1.080 4.064 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 18.581 -13.531 7.121 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 -1.298 -0.363 0.904 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 -4.670 8.039 -16.601 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 9.436 -6.365 -9.593 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 -3.679 -0.111 -1.693 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 -0.533 -13.941 -3.748 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 -1.026 -1.526 6.986 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 -4.780 -4.666 -1.537 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 11.508 -8.701 -7.070 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 25.165 -4.736 -5.234 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 -7.724 -1.788 -0.976 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 -7.325 -4.855 0.807 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 5.075 3.777 5.960 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 0.863 -4.151 6.115 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 -4.112 -9.239 -12.161 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 5.951 0.073 15.551 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 0.663 0.435 1.484 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 13.082 7.335 8.366 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 -10.256 2.442 1.245 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 3.925 -7.743 -1.208 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 0.203 -7.576 2.707 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 1.440 -8.387 -3.967 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 -2.830 -1.304 -5.725 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 15.813 -25.918 -4.843 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 -20.830 -18.397 -1.917 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 -5.748 2.726 1.694 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 -7.921 -1.154 11.763 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 -3.197 6.871 5.705 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 -3.451 -0.471 8.973 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 3.934 23.060 13.755 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 -12.537 30.017 0.344 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 -0.107 -0.004 -1.832 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 -15.043 -1.548 6.922 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 23.839 -24.682 -7.047 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 3.401 6.203 3.586 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 -0.520 7.056 4.038 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 11.772 15.859 26.010 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 -7.145 -1.888 -2.056 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 14.320 -6.173 -11.489 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 -20.714 -20.763 -9.037 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 -0.883 -2.976 0.982 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 -18.131 -12.454 8.406 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 -8.820 -9.597 13.860 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 4.125 1.726 -4.219 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 -7.055 -8.049 1.137 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 -4.568 6.884 -3.450 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 4.164 -3.441 -2.865 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 7.266 28.841 -8.522 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 9.102 2.224 28.375 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 -6.658 -2.290 2.512 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 18.331 4.249 -20.031 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 -10.614 9.566 -5.604 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 -4.777 2.905 5.340 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 4.538 20.651 -15.895 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 14.454 8.251 -15.767 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 5.226 -4.536 -2.054 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 -4.732 -29.641 1.674 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 -2.857 0.437 9.953 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 -4.257 4.909 -4.287 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 2.763 3.526 16.664 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 13.720 1.383 -16.629 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 5.314 1.257 4.456 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 -5.176 24.136 5.692 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 -0.978 -16.193 15.719 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 0.295 3.256 6.794 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 12.365 -7.524 -6.097 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 3.297 -4.167 0.501 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 -5.489 -4.430 -1.013 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 -8.804 -13.796 33.979 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 2.847 20.409 19.038 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 1.264 -6.090 -8.461 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 8.052 -16.509 8.448 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 7.865 -2.448 -3.250 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 3.154 -5.024 1.256 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 28.162 -13.183 9.861 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 -0.912 -1.428 -4.948 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 4.870 -1.678 -1.701 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 -2.622 13.303 -15.713 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 1.450 2.062 -7.196 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 0.414 2.731 2.257 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 -11.537 -4.892 -10.519 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 13.206 11.811 15.402 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 2.591 3.106 4.863 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 2.244 -7.484 14.657 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 2.001 -10.956 18.596 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 -1.014 -7.363 3.518 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 0.524 -5.519 7.119 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 -5.191 -18.261 -4.122 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 4.850 1.341 6.795 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 12.128 -0.942 6.910 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 2.391 2.897 -1.197 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 -2.608 1.250 0.856 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 0.702 -10.181 -0.705 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 8.636 8.586 4.183 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 -4.720 5.859 -1.591 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 -0.749 3.607 12.768 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 -8.375 -3.233 -13.350 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 0.219 1.966 6.322 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 -20.166 12.362 27.770 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 -19.112 13.496 2.506 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 3.908 -1.157 -3.028 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 -0.756 12.117 4.882 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 7.164 11.728 0.918 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 3.936 6.657 -2.416 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 10.125 11.283 -1.793 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 -0.433 8.224 6.886 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 -3.682 1.358 -2.337 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 -8.614 5.669 -5.100 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 0.828 6.668 1.400 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 6.658 -6.601 8.104 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 7.101 -8.053 9.348 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 2.452 -3.648 12.399 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 -1.364 -3.984 2.313 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 -1.240 7.059 9.995 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 -6.319 5.940 19.042 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 1.390 0.107 -6.096 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 -6.571 3.196 -5.038 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 12.788 0.290 -7.686 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 1.289 -1.246 2.535 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 0.764 -4.237 8.454 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 3.744 7.681 6.261 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 -0.056 -3.311 2.486 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 1.025 3.526 4.759 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 -25.652 -9.660 -6.552 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 -4.028 -2.234 -0.781 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 -24.145 -45.488 -6.458 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 -2.666 -0.355 -14.001 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 -5.382 2.073 2.683 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 -0.384 16.033 -9.959 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 -10.162 -12.819 15.914 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 -1.071 2.424 7.320 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 14.821 3.806 -9.395 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 -6.851 -23.622 9.640 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 1.739 1.981 1.433 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 -7.000 14.281 0.907 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 6.907 6.371 18.985 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 7.625 2.236 -3.036 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 -27.570 -2.964 6.447 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 2.380 3.076 -11.221 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 0.180 1.111 -1.019 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 19.258 -1.487 13.702 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 -17.935 -10.807 9.868 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 1.611 2.722 0.066 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 -2.805 17.755 15.335 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 30.333 -2.821 -12.344 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 -5.212 2.540 2.892 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 -7.618 0.780 5.581 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 -3.669 6.103 0.431 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 -7.246 1.853 -3.909 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 -7.683 14.539 -18.166 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 11.290 4.436 18.084 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 3.670 5.908 -1.499 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 3.039 7.817 -0.915 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 -3.938 -9.021 -44.171 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 5.252 -6.977 -2.164 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 0.801 1.828 -0.649 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 6.421 -10.411 -2.971 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 0.494 -4.808 -3.266 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 2.971 -16.368 -9.643 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 8.673 -5.381 8.160 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 -2.682 -2.256 -1.166 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 10.273 29.851 14.847 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 3.360 16.262 9.426 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 0.354 -1.885 -7.455 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 -5.770 -6.190 -16.837 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 -4.935 -5.052 -0.868 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 -0.966 0.389 -1.031 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 -4.036 5.380 -1.118 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 -8.584 0.250 7.505 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 2.065 0.202 4.592 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 4.671 -7.564 8.869 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 3.023 -4.995 7.627 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 5.014 -1.548 0.166 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 1.630 6.660 -5.907 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 8.536 -4.313 6.064 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 -2.063 -0.473 -4.126 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 5.383 -13.644 -40.945 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 8.707 17.823 5.596 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 1.978 -1.813 -3.384 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 5.956 -3.875 0.346 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 0.176 -1.992 -3.336 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 3.950 1.422 0.639 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 11.396 5.229 10.636 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 -13.656 -7.013 -20.221 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 5.787 0.497 4.345 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 28.230 1.719 3.298 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 -7.458 -23.140 -10.834 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 6.718 1.486 1.785 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 -27.999 -0.254 -12.848 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 7.839 2.062 -0.327 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 0.029 2.807 -2.039 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 -10.311 23.986 -13.916 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 -6.176 -24.481 -11.145 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 2.150 0.826 -0.550 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 -5.568 -9.638 21.446 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 15.640 -18.524 -12.327 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 -6.787 -1.230 -0.453 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 -9.795 -20.865 -9.863 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 -8.674 -5.122 1.319 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 5.918 1.982 0.970 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 3.119 -3.144 -1.803 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 6.264 -8.152 5.158 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 2.458 1.088 1.179 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 -1.612 2.118 -2.219 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 4.962 8.391 -2.227 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 1.259 0.965 -1.250 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 8.409 4.684 14.421 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 -21.323 -18.447 -11.911 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 0.097 -9.980 8.825 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 -18.454 -2.514 5.039 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 0.075 13.090 14.878 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 -0.784 0.587 0.832 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 16.233 -22.780 -7.516 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 16.763 3.809 4.635 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 -2.911 -8.304 5.231 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 -0.088 -4.710 -15.518 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 7.234 -3.927 15.828 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 -1.477 1.475 -0.842 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 -25.499 -6.812 -1.243 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 4.628 8.216 -8.317 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 4.855 -2.779 -1.845 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 31.977 15.951 -14.574 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 -16.238 -9.602 2.209 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 6.736 -0.387 0.807 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 -0.390 13.475 -8.169 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 -14.943 10.031 21.191 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 -1.161 2.209 5.037 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 -21.347 9.297 -12.393 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 -16.650 -9.982 -6.293 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 -2.105 -8.033 -4.062 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 -18.959 4.450 -7.141 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 -0.424 -13.086 -1.758 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 0.387 2.367 1.975 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 -1.210 4.070 0.206 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 1.062 2.051 -0.396 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 1.333 0.126 -2.213 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 3.422 1.065 -6.695 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 12.863 -2.599 -1.319 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 -0.619 7.382 -0.504 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 1.859 13.783 -3.427 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 -3.759 9.719 -10.651 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 -1.910 -3.044 5.122 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 -6.941 8.485 2.894 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 -0.903 13.052 28.290 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 -1.656 1.525 -0.511 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 14.959 6.340 -10.400 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 0.155 20.629 1.033 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 5.266 3.318 0.228 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 14.543 5.902 -10.118 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 -7.923 -1.205 9.005 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 -2.734 3.317 -6.020 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 1.882 6.563 -11.223 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 -6.304 4.322 -4.001 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 -2.371 -7.440 -0.092 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 2.148 -4.641 -7.406 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 -1.943 -16.118 -0.857 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 2.726 -0.559 2.058 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 -3.000 -10.040 3.101 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 -2.658 -1.507 -6.081 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 3.888 1.754 0.263 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 12.847 -1.126 4.916 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 0.178 -8.299 8.411 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 2.852 -3.701 -3.907 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 -11.003 -1.225 -4.777 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 13.319 -2.876 -21.713 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 5.904 0.719 -1.241 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 5.406 -12.174 -14.006 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 9.577 17.296 4.905 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 0.559 5.161 4.657 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 -4.954 4.590 -4.901 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 10.714 -1.681 14.206 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 -3.495 -1.618 -2.195 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 -10.006 2.707 -21.336 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 1.284 -4.176 11.039 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 4.939 2.823 8.224 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 4.701 1.747 -0.839 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 8.835 3.437 7.840 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 0.552 -4.961 -3.372 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 -5.338 2.506 -0.265 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 6.460 -5.951 -3.970 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 -2.187 0.908 -2.186 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 -9.432 7.649 9.356 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 12.524 22.920 -9.318 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 2.958 -6.479 -5.090 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 1.130 -31.543 -4.954 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 1.290 1.291 -6.420 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 -4.737 0.769 -0.434 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 10.332 -20.535 1.731 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 -13.118 1.727 -7.435 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 -1.896 3.227 -0.112 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 -18.535 28.747 13.850 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 3.867 9.112 14.401 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 3.975 -0.416 2.352 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 4.608 2.112 25.362 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 8.497 7.569 -27.945 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 -1.139 -0.347 1.073 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 8.266 -2.258 4.623 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 -9.027 -2.613 5.637 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 -5.403 4.178 -0.436 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 -11.804 19.750 -14.306 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 10.002 20.074 18.989 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 1.444 -1.010 -6.452 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 7.616 -0.984 -6.720 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 -0.412 -1.424 -11.514 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 -3.505 2.957 -3.755 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 -1.288 -25.033 -25.779 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 1.102 10.828 -18.691 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 -3.536 -2.121 2.916 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 -11.026 -13.492 14.909 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 -0.241 5.103 2.763 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 0.932 -3.507 -5.291 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 4.262 -14.393 -24.829 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 -9.603 -2.461 6.292 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 -2.025 -10.189 -3.741 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 2.441 5.619 -30.214 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 -2.037 0.231 21.823 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 4.647 2.890 2.809 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 10.667 -7.850 5.732 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 -2.953 -3.351 -6.369 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 -5.465 -5.249 -4.593 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 -2.691 -8.940 -8.517 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 -6.230 -5.212 4.000 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 -2.853 -0.048 0.565 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 -14.927 -14.558 2.886 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 -7.144 -19.694 1.956 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 -2.840 -2.235 6.234 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 -5.171 -5.804 11.964 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 -2.524 -7.182 -12.652 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 1.456 -1.532 -2.527 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 -7.780 -12.120 -2.092 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 1.874 3.130 -13.034 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 1.299 -0.259 -1.217 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 -4.316 1.617 13.831 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 21.820 19.739 -5.345 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 -4.587 -4.573 0.067 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 17.838 1.172 0.328 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 4.021 -5.716 -8.121 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 2.829 5.175 2.192 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 5.056 2.734 5.683 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 1.622 6.486 4.182 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 2.634 -0.169 -3.414 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 7.065 -4.911 10.971 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 -21.339 18.981 2.414 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 3.127 1.104 -0.639 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 0.188 -6.277 1.411 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 -2.775 -3.995 3.787 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 -3.131 -3.636 -0.886 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 -5.345 3.727 -7.006 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 13.595 7.143 13.310 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 -0.795 -0.125 -0.751 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 7.747 -7.453 30.692 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 21.676 -16.233 -19.235 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 -2.334 1.137 2.263 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 11.000 10.867 9.330 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 -6.900 -2.283 1.334 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 6.325 10.752 -0.435 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 -16.793 -6.018 -15.078 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 -0.597 3.931 0.959 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 -3.559 -0.479 -5.333 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 0.213 1.966 -3.078 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 -4.780 -2.633 -4.210 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 -3.301 6.443 -1.238 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 -34.451 -2.078 6.769 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 -7.075 -0.170 -1.572 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 4.608 1.690 0.520 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 5.899 1.537 4.164 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 6.834 1.607 6.461 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 -5.024 -5.303 0.858 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 -4.021 -0.508 -2.825 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 -21.776 5.138 19.229 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 3.168 -4.784 0.039 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 -1.787 -7.643 0.120 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 3.133 -5.514 0.698 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 -10.637 6.076 1.268 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 -31.273 5.654 12.546 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 -15.828 5.087 4.105 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 1.053 1.982 1.858 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 -29.600 0.111 -11.735 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 7.633 22.196 8.430 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 1.802 4.389 -1.608 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 -6.851 2.666 11.258 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 8.879 -4.290 17.969 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 -0.320 0.700 4.192 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 -0.343 14.817 -8.215 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 16.548 3.465 -5.655 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 2.867 0.095 -0.901 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 -4.388 7.455 -19.861 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 -2.573 14.544 14.556 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 2.023 -0.555 7.667 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 0.404 -20.909 8.503 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 1.717 2.714 -4.335 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 -0.764 -1.400 2.142 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 4.473 -5.039 -6.640 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 -16.658 -16.830 -22.600 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 -5.449 0.873 -2.392 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 6.212 -2.470 3.761 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 -17.742 -15.527 2.578 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 -2.949 -0.453 4.423 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 -11.386 21.438 2.731 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 -3.080 -3.386 6.478 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 6.946 -3.595 6.934 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 2.149 4.841 7.820 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 14.904 10.764 16.747 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 1.278 -2.056 1.151 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 10.329 -11.081 12.275 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 13.756 3.132 -1.170 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 3.464 4.478 0.518 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 27.121 9.316 5.388 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 -10.485 -22.463 17.590 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 0.283 3.060 0.008 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 5.367 -13.674 19.219 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 -1.750 29.725 -28.257 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 -4.014 -5.274 4.615 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 -4.679 -1.051 -12.029 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 0.175 -21.438 2.076 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 4.750 5.820 -0.532 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 -19.764 2.727 5.903 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 -13.355 16.505 7.605 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 -2.301 -2.092 -4.391 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 1.445 0.106 -5.677 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 -3.487 1.705 -2.017 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 -2.183 3.446 -2.070 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 -3.207 5.856 -2.002 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 -4.856 -4.855 14.429 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 0.084 3.548 -4.086 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 -7.749 -2.340 -26.240 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 -3.119 22.473 -3.654 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 -1.267 -0.112 4.305 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 -4.980 -8.081 -3.775 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 8.286 -31.934 21.891 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 1.630 2.063 -1.901 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 -1.897 -17.801 17.650 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 1.865 17.238 -9.800 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 -0.480 -6.504 -2.001 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 -4.276 -0.506 -7.990 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 -0.438 -10.259 -1.892 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 -1.021 -1.069 -1.166 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 -6.846 4.704 -1.562 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 2.812 1.762 -0.784 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 -4.890 6.481 0.370 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 -1.401 2.089 -3.362 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 -7.279 9.870 3.734 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 -3.604 0.040 3.567 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 -0.776 -18.987 0.215 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 0.614 -2.802 16.709 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 -2.307 -2.943 -6.390 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 -12.160 -5.201 -14.281 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 -1.223 3.439 -5.633 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 2.798 -3.047 5.120 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 13.812 -2.994 3.638 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 -0.562 -11.157 2.723 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 -2.510 -3.247 -4.907 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 -2.997 3.177 16.478 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 11.846 -9.059 -35.770 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 -2.539 0.535 -0.686 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 30.926 -11.380 5.296 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 -23.890 14.387 15.617 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 -1.730 1.975 4.965 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 1.372 0.586 -8.016 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 -3.181 -3.180 5.435 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 0.389 2.610 -5.222 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 9.604 31.049 3.665 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 27.202 -14.716 -14.034 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 -2.895 -1.349 5.471 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 -5.224 -6.178 6.290 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 -0.257 7.658 -0.916 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 -8.022 -3.376 3.113 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 -16.165 12.355 9.123 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 -0.418 0.939 -12.408 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 -2.596 -1.416 4.489 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 -0.208 1.059 16.173 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 -3.200 -12.801 2.853 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 -4.614 -0.512 -1.220 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 8.993 6.558 3.826 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 -16.563 -8.231 -12.932 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 5.779 -9.512 1.568 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 -2.017 -8.584 14.266 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 7.892 -9.731 -1.426 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 -2.631 -6.889 -2.071 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 -4.269 8.581 7.089 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 6.819 -7.548 -12.179 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 -7.063 1.154 4.220 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 -10.932 5.644 12.292 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 -12.780 -5.541 -5.892 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 1.994 -1.067 -2.490 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 -16.310 -6.098 7.270 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 8.230 4.723 -8.986 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 -1.754 -6.496 -5.256 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 3.035 -8.378 -8.804 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 -3.989 -2.031 -0.514 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 -5.843 -2.464 -0.804 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 10.377 -7.265 -27.857 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 -7.623 -3.961 -1.576 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 -6.321 -2.517 -4.135 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 6.728 13.841 19.933 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 -35.942 2.809 -3.972 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 -1.610 1.425 1.033 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 12.871 -1.718 -6.582 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 -4.642 3.060 3.606 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 2.654 -1.225 -6.862 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 7.130 10.745 -6.339 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 -5.477 -2.154 2.142 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 0.596 3.952 -0.070 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 13.694 0.713 10.450 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 -19.283 9.197 -12.979 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 -1.671 -1.645 -2.340 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 5.499 4.859 0.229 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 -6.040 -9.598 4.535 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 -1.672 -2.438 3.627 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 -15.733 11.069 12.077 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 8.437 -17.930 6.075 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 5.219 3.369 -3.490 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 -1.309 -10.905 1.808 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 -3.368 9.966 -12.278 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 -1.996 -7.948 4.310 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 -0.582 -2.829 11.150 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 -7.931 -13.712 0.562 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 -0.507 -3.225 -4.269 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 0.539 -2.249 -6.145 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 -3.126 -8.408 1.397 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 -1.762 -3.426 -6.403 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 6.787 26.553 -10.929 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 18.819 -20.606 -24.694 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 -6.334 -1.993 3.816 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 -2.201 -3.162 9.371 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 18.684 2.746 16.694 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 0.483 0.194 2.680 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 2.118 4.446 10.757 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 -4.703 -6.458 3.946 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 1.822 -7.879 -1.605 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 -0.892 -10.500 -4.389 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 -10.705 3.999 -10.815 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 1.674 -2.313 -3.052 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 1.510 -1.157 -4.661 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 3.578 -6.325 -1.027 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 -4.773 -5.641 -6.880 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 5.492 -6.127 -5.663 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 -31.947 -6.112 -22.757 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 1.765 3.217 1.229 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 7.394 2.155 12.147 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 -7.576 -0.535 -5.921 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 -2.669 -4.425 -1.235 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 4.372 -36.075 -0.779 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 -0.307 4.442 -6.752 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 1.026 -0.901 -3.716 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 1.488 4.884 -2.085 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 0.820 2.385 0.211 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 0.593 -2.307 -2.312 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 5.970 3.162 -2.561 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 1.078 4.440 -4.742 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 -1.051 -3.395 4.222 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 -1.346 0.866 -8.275 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 10.860 15.228 3.151 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 7.650 -1.255 -7.231 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 3.192 -0.648 -2.606 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 0.496 -5.169 -2.201 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 -1.671 2.507 1.219 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 14.109 6.058 4.270 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 7.093 14.011 11.820 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 1.148 2.778 0.756 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 -5.525 6.067 8.734 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 6.144 -12.077 11.043 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 -6.352 0.082 3.948 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 -3.701 7.629 2.059 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 5.673 25.049 6.281 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 1.681 -5.166 1.306 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 1.297 -8.851 -5.447 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 1.845 -4.235 -2.340 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 0.112 2.581 -0.148 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 -3.133 19.674 1.615 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 9.921 -6.541 -17.073 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 3.167 0.321 -5.725 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 13.750 -10.212 3.149 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 -9.201 10.559 -12.855 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 1.745 -3.299 1.076 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 4.353 -0.567 1.080 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 0.575 -3.075 4.860 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 -1.730 1.952 6.017 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 1.906 1.416 9.920 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 5.102 -17.162 8.398 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 -2.995 -1.199 -0.242 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 18.515 -1.926 26.531 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 18.792 16.635 -12.437 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 0.160 -0.549 7.916 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 -10.357 8.443 28.571 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 6.767 -21.936 -3.720 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 -0.504 9.763 -1.453 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 -7.947 5.724 2.336 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 -1.449 13.359 -0.099 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 0.920 5.703 -1.947 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 15.141 -22.447 19.229 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 14.604 12.599 -5.086 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 1.997 -1.192 1.157 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 16.343 -1.644 7.834 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 -12.433 1.797 -6.521 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 1.532 2.872 -5.285 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 7.776 0.008 -8.842 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 -1.750 8.118 -10.874 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 0.554 -1.381 1.310 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 -16.149 12.421 6.270 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 11.176 -9.084 -0.733 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 3.712 -1.362 -0.210 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 2.849 -12.502 -4.395 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 -4.608 -8.736 -0.079 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 3.055 -6.389 1.723 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 -3.683 -27.868 -8.641 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 1.018 -6.517 4.108 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 -3.693 -3.487 1.557 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 10.488 18.441 -4.654 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 -12.955 -9.982 -20.012 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 -2.064 -1.134 -1.760 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 1.678 3.261 -10.513 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 1.752 -10.842 -1.286 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 2.832 1.433 4.155 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 1.901 0.642 -9.647 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 -2.666 10.509 1.341 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 -3.497 3.189 -6.575 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 -11.810 11.293 -11.687 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 -0.230 10.706 3.539 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 2.388 3.011 2.575 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 2.465 11.471 3.475 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 13.867 -28.257 -4.525 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 0.410 -0.928 0.350 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 -5.092 12.258 -11.273 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 -8.498 -18.206 -8.530 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 -1.410 0.202 -0.139 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 6.004 -1.439 6.260 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 5.473 -5.722 3.398 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 0.864 -4.268 1.892 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 37.402 9.535 -27.379 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 5.585 -0.332 -5.579 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 4.597 1.639 7.102 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 5.217 0.361 8.284 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 2.142 14.348 2.273 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 0.783 -4.803 -6.328 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 7.394 -2.858 5.569 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 10.768 0.222 11.414 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 3.222 1.473 2.520 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 1.794 -7.588 -2.927 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 -2.223 -0.374 -6.191 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 -2.548 4.678 2.211 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 -12.735 3.583 8.657 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 0.859 1.770 -0.857 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 1.958 -1.463 0.493 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 2.487 -1.873 6.242 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 -0.465 -8.503 14.951 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 -0.341 2.354 9.399 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 -2.668 3.412 14.550 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 -2.800 3.366 4.542 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 0.441 -0.823 6.320 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 17.205 17.026 -13.174 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 10.699 10.160 -5.454 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 -6.048 2.968 6.494 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 -17.561 1.993 -11.969 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 -8.193 27.362 -0.311 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 0.326 -9.840 5.613 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 11.469 -13.074 -5.710 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 8.420 -2.971 17.764 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 -0.214 -0.037 -2.121 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 -4.582 -7.263 7.716 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 -14.662 11.542 -2.737 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 -7.339 2.809 3.281 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 -8.006 0.758 -14.641 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 -7.609 2.369 5.198 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 -6.425 1.747 -1.479 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 9.973 -3.841 -5.450 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 0.560 -3.560 -8.444 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 7.523 2.077 1.520 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 -2.076 -7.596 -6.661 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 -2.042 12.273 7.514 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 -1.457 -3.929 -1.652 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 -16.455 18.121 -15.573 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 27.624 20.698 6.917 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 -0.462 0.050 0.259 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 -3.389 -8.796 -13.764 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 -8.049 3.457 -3.518 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 3.553 -1.373 -10.184 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 6.310 -8.208 -2.083 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 18.077 13.680 1.833 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 -0.239 4.166 -3.435 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 9.937 -5.052 5.188 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 -15.078 -4.490 -20.679 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 -1.811 1.776 7.805 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 5.961 5.804 3.709 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 8.448 16.611 -1.456 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 3.397 -12.906 8.029 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 12.533 8.863 1.451 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 2.106 5.392 -9.028 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 -3.303 6.041 2.165 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 -0.221 3.222 5.228 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 11.349 -7.590 11.247 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 -8.388 -4.084 3.807 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 -16.555 -15.735 12.570 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 -1.701 -21.968 6.901 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 -4.491 1.607 3.536 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 -14.562 -2.547 18.704 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 2.712 2.641 11.531 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 3.739 -1.709 0.944 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 10.748 7.124 6.374 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 21.518 0.788 17.215 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 1.053 -5.497 8.250 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 -6.280 7.069 -10.175 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 -11.683 -3.872 16.234 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 -0.295 4.067 -9.734 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 -2.120 3.137 -8.652 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 -6.223 3.210 -12.456 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 -4.090 -3.455 1.099 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 -25.677 -29.744 -27.660 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 9.548 -12.824 5.955 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 2.695 3.776 2.033 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 29.676 18.157 14.728 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 9.087 -3.020 3.143 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 2.020 -0.304 1.850 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 -5.963 14.314 -6.413 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 19.029 -1.611 -11.628 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 1.114 -7.839 -0.051 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 -13.228 6.168 -0.256 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 17.199 3.011 -2.373 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 7.576 4.223 -0.589 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 -5.542 -9.605 -4.668 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 -10.159 -14.097 -8.749 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 0.645 -0.919 -3.821 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 -18.578 -16.804 0.011 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 27.040 -33.036 -9.703 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 1.541 -1.277 -5.699 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 4.386 -0.974 -3.876 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 5.518 -0.220 -2.812 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 4.585 1.206 1.687 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 5.772 -15.331 -19.119 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 12.475 13.262 27.404 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 3.348 8.981 0.495 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 16.040 13.731 -3.423 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 -8.272 13.399 -8.520 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 0.100 3.423 2.588 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 -29.603 -1.242 16.704 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 -11.609 -0.114 2.658 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 3.467 -1.855 -2.443 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 -9.459 5.862 7.690 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 3.626 -3.492 -2.704 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 3.691 -3.507 -1.893 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 11.413 7.497 6.247 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 22.537 -0.514 -15.810 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 2.781 -5.391 -0.110 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 -0.766 0.612 7.539 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 -5.931 -25.625 14.206 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 -1.356 7.637 1.424 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 -15.664 -9.719 -16.148 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 12.678 20.433 11.625 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 9.266 3.458 -0.153 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 -14.164 22.181 -24.643 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 13.759 0.611 4.978 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 2.864 -3.945 0.009 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 15.728 -12.671 5.052 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 -13.893 -10.010 -10.967 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 1.433 1.925 6.983 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 -6.249 2.722 -0.319 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 -5.295 18.776 -4.481 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 0.892 0.398 0.193 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 -4.323 4.571 8.402 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 -1.209 -4.080 -1.093 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 -6.730 9.655 3.184 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 -5.123 -3.484 3.202 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 -3.206 8.137 9.682 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 5.849 5.535 2.417 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 -17.863 -15.318 13.070 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 3.585 4.265 7.041 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 -3.203 -2.079 0.709 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 -0.202 -0.324 -1.953 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 4.398 8.841 15.296 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 4.483 0.969 -2.708 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 -5.893 16.092 -28.980 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 -0.524 3.544 -10.129 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 -0.611 3.121 -3.412 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 6.433 17.449 -2.532 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 -10.400 -8.039 -5.686 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 -1.311 -0.333 -0.044 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 0.428 -7.860 -18.636 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 -10.605 9.856 -0.174 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 1.274 -1.596 5.091 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 -2.856 -12.091 3.407 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 -5.436 9.977 7.914 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 -1.055 -3.214 -7.191 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 1.729 2.523 1.595 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 -6.099 -23.667 -23.550 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 6.562 -1.833 -2.013 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 2.293 -12.405 -25.179 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 -12.659 -9.250 12.027 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 -6.731 0.210 1.917 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 -0.715 -27.029 -12.768 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 -9.451 7.532 4.842 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 3.057 -0.862 -1.239 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 8.247 -15.268 14.683 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 0.843 0.534 -3.733 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 1.450 2.991 0.769 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 -17.537 -2.445 6.287 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 6.267 10.474 8.448 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 2.165 -2.506 6.010 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 -0.456 -24.724 -13.363 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 5.290 1.271 8.684 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 5.478 1.778 2.485 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 -3.070 -19.594 7.776 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 4.369 -3.718 0.499 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 6.582 2.119 0.431 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 17.590 2.492 7.529 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 2.346 0.743 -8.117 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 2.559 9.059 -0.121 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 1.717 -6.083 -6.462 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 6.503 5.235 8.355 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 0.926 6.470 -6.997 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 14.330 -3.298 -12.907 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 6.270 2.848 -14.560 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 -0.699 3.669 3.984 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 -6.682 2.521 7.759 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 -3.856 -0.119 -9.704 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 7.942 1.577 0.007 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 -29.133 25.387 -25.320 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 0.266 -2.968 -1.810 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 -0.491 0.897 0.019 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 -2.953 -2.397 1.306 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 1.602 5.822 -5.041 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 1.967 -2.106 -0.683 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 -18.371 -12.708 0.131 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 -0.509 5.757 -7.019 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 -3.660 1.776 -0.890 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 -9.773 17.858 1.395 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 -10.545 -5.984 -11.014 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 5.514 2.376 -3.841 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 -7.377 12.833 -4.691 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 3.725 -14.684 -10.067 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 2.692 -1.368 -0.269 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 -3.959 1.666 -19.767 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 -20.580 16.432 6.949 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 2.807 2.654 10.372 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 32.395 -23.932 -10.222 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 5.442 -6.159 -3.838 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 -2.723 -5.133 6.710 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 -30.453 14.458 10.961 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 21.118 24.480 -6.044 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 3.472 0.274 -3.899 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 -41.636 12.093 2.422 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 6.302 5.230 24.932 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 -4.542 -6.671 -0.293 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 7.702 -6.403 20.533 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 14.182 -6.961 7.956 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 1.022 -5.877 -7.490 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 -7.581 -0.355 -24.802 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 7.484 11.599 3.253 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 -3.152 2.626 4.705 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 6.255 10.657 -12.756 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 23.203 -2.395 11.112 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 -2.183 7.435 -4.846 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 -1.561 -1.731 -1.205 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 -22.242 14.664 -9.314 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 -1.872 -2.464 -5.176 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 -1.751 3.961 25.504 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 5.326 -20.440 -10.975 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 -3.877 -4.351 -7.152 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 -2.446 9.033 -7.707 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 -12.993 3.164 -8.781 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 9.180 -7.359 4.527 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 -14.092 9.049 -0.284 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 12.882 -12.299 -22.778 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 -2.278 2.495 12.555 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 -10.875 4.653 11.525 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 27.606 -19.535 -0.768 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 -9.251 -3.277 -2.110 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 -21.339 -7.168 5.482 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 1.333 6.371 8.462 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 -2.909 -2.006 5.226 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 12.683 2.559 -0.629 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 21.356 8.464 -2.826 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 1.795 -3.356 -0.986 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 -9.152 -2.569 -4.520 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 6.946 4.807 1.021 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 2.780 -3.049 2.514 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 -5.918 4.085 6.560 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 18.155 -11.112 -3.240 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 2.067 -2.147 1.108 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 -12.245 -4.579 -6.797 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 2.126 17.289 2.028 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 -2.027 -5.415 1.948 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 7.826 5.579 -1.790 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 -8.344 -7.479 -5.035 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 -0.140 1.401 9.328 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 10.244 20.436 -11.611 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 -23.288 -10.878 14.448 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 2.209 -5.553 -1.240 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 6.661 -7.545 3.349 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 -10.789 -14.795 2.635 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 1.367 0.371 -3.807 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 -5.335 -8.234 -6.183 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 -5.603 6.988 -6.103 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 0.462 -4.957 8.758 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 -2.577 -8.703 11.271 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 -4.821 -10.142 7.093 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 1.063 1.901 2.029 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 5.434 10.170 -17.776 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 -19.024 28.210 3.845 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 -2.593 0.117 2.257 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 16.331 19.639 1.599 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 -12.759 6.438 -10.317 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 5.173 0.971 -2.767 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 11.321 -1.341 -16.079 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 7.822 -0.459 -24.721 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 2.230 -4.911 -0.025 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 -3.012 -14.149 2.265 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 -0.756 -15.759 5.159 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 -5.215 -2.504 1.084 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 -4.581 -7.488 4.050 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 -0.742 -27.597 12.689 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 1.603 -2.129 5.854 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 5.697 12.251 -7.185 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 5.271 15.205 -12.305 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 -6.057 -4.402 1.682 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 7.377 -10.843 -7.115 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 -1.642 -35.235 -12.001 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 0.259 -7.399 1.610 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 13.448 -0.029 -7.744 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 -25.603 0.833 -13.216 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 -0.330 -0.902 1.955 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 1.687 13.224 2.841 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 -1.182 -9.436 1.566 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 1.543 -8.237 -1.060 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 -11.053 -5.210 33.527 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 -6.512 -6.601 16.065 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 -3.034 0.327 -0.286 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 -25.146 16.925 2.967 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 -11.340 6.442 -21.752 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 4.946 -0.790 4.947 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 -3.266 -2.587 15.040 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 3.504 -1.159 6.729 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 -5.088 2.104 1.935 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 -10.025 5.144 -0.213 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 -0.580 -8.248 -11.610 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 -3.812 -0.385 -2.228 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 7.341 16.537 -17.143 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 -7.250 -9.037 22.111 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 1.211 -7.175 -5.794 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 0.307 -0.966 -4.432 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 3.403 11.951 9.541 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 -3.999 6.645 2.893 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 -1.979 34.339 -10.609 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 -4.162 -18.340 15.835 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 -1.200 -3.013 -0.292 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 -9.099 -4.902 -10.833 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 -10.671 3.497 20.883 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 4.739 2.459 1.771 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 3.618 5.316 12.816 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 3.002 5.993 -2.944 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 4.911 0.799 -1.298 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 -19.462 -7.637 23.838 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 22.539 8.210 -9.010 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 -1.127 -9.875 -4.876 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 -6.753 6.494 13.314 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 -9.652 -9.915 -4.726 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 -2.737 -5.560 2.515 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 -4.742 21.390 -26.565 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 -0.400 -19.032 28.427 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 -2.345 2.780 -0.106 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 4.921 8.247 1.263 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 -0.511 1.179 10.391 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 -4.521 3.361 -6.237 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 -10.659 10.357 25.103 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 -17.773 5.474 -5.499 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 -1.379 -2.736 2.168 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 14.342 3.890 -16.642 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 10.438 -7.912 -6.034 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 0.436 10.119 -3.889 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 -7.434 -1.337 7.219 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 7.896 12.952 -17.900 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 -3.656 6.313 3.102 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 23.875 5.435 -4.041 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 6.266 4.952 2.390 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 -6.220 1.546 1.112 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 -16.840 -0.314 5.418 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 -9.779 -5.604 -9.905 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 -0.829 -3.739 -6.861 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 -8.319 -14.086 -17.732 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 1.222 -6.807 -5.024 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 1.788 9.081 -4.185 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 -7.617 4.330 12.973 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 8.058 12.244 7.517 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 2.110 3.427 4.263 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 23.232 2.567 -10.572 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 2.537 -6.250 16.363 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 -0.773 3.557 -2.266 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 -11.068 -4.735 1.955 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 15.507 14.315 -11.090 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 -4.617 0.628 1.442 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 -4.180 6.502 -12.695 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 2.524 8.098 12.729 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 3.927 -4.579 0.685 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 -10.232 -5.538 -0.882 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 18.445 -3.752 5.528 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 -4.382 -4.795 1.334 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 -7.406 -7.594 -5.414 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 4.549 -11.948 7.568 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 5.370 8.815 11.191 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 -9.107 -4.405 -5.821 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 21.851 7.462 18.363 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 6.375 1.152 4.758 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 18.733 0.571 -9.868 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 11.256 -9.939 19.419 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 0.411 0.605 0.234 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 0.270 -11.814 -2.475 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 -7.202 0.103 -3.159 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 -1.954 -3.989 -5.915 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 -12.197 8.999 -11.045 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 -37.396 1.304 7.755 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 4.990 1.802 -6.981 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 7.021 6.100 -6.340 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 -4.262 -7.735 -8.003 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 -3.287 8.489 4.907 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 -12.521 8.917 -1.834 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 13.320 9.714 5.785 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 5.004 0.758 -4.120 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 3.259 8.039 -3.875 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 0.067 0.261 -3.997 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 1.739 -3.477 -0.754 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 -1.393 5.533 0.755 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 -6.532 -8.352 -7.378 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 5.433 -3.478 -4.976 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 2.348 14.511 -3.566 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 8.236 -44.377 -11.637 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 -7.819 4.746 3.633 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 -13.434 -6.959 -1.211 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 -2.707 11.214 -9.127 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 6.915 -4.950 -1.554 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 -1.564 11.781 -3.833 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 9.106 2.429 13.172 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 3.433 2.176 -1.314 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 6.391 5.212 -4.442 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 8.407 8.005 -3.377 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 1.207 0.724 2.617 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 6.293 2.907 1.568 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 -3.022 0.003 6.491 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 -0.656 -2.532 5.954 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 -28.467 36.687 -4.655 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 -6.608 9.636 -3.324 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 1.524 6.345 4.147 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 29.550 4.236 9.349 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 -8.978 6.932 1.627 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 -1.900 0.473 -2.790 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 12.221 -4.119 1.467 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 23.934 4.756 -7.663 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 0.938 0.005 5.930 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 27.372 9.255 -14.755 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 7.596 3.837 2.275 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 2.543 -1.268 1.802 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 -2.808 -10.577 -16.475 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 16.604 13.109 -3.323 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 -1.629 1.535 1.644 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 -1.660 13.444 -15.055 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 -12.765 -12.896 -4.066 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 -0.478 -0.915 -0.717 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 25.259 -5.967 -5.365 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 -2.990 13.270 -7.816 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 -2.531 -5.769 1.211 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 -10.390 -14.367 11.857 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 10.342 -25.757 2.617 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 7.206 3.336 5.087 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 10.995 10.535 16.107 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 -1.533 -4.067 8.004 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 -4.090 3.326 3.465 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 21.663 4.556 -25.002 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 -18.076 4.829 2.718 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 1.356 1.669 6.082 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 16.874 8.414 8.371 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 1.682 -13.750 5.029 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 2.240 0.446 2.172 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 -7.943 17.168 0.807 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 24.281 9.097 18.479 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 -2.359 2.858 2.147 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 9.739 13.106 0.356 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 3.627 9.325 15.862 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 5.649 7.265 -1.844 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 15.033 1.279 11.200 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 16.333 6.104 -0.764 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 -9.274 0.431 5.656 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 18.281 26.035 -15.192 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 -7.800 -14.756 8.421 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 -1.484 -2.734 1.811 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 4.445 18.006 0.978 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 -9.451 -3.171 0.073 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 -1.436 0.550 4.823 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 -8.668 1.209 4.677 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 -10.545 18.169 2.559 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 1.786 0.611 1.634 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 -12.777 -1.829 3.047 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 -5.430 2.958 8.831 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 -2.958 8.996 1.864 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 -17.488 4.758 6.424 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 -9.096 -5.262 -7.817 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 4.256 -3.893 -1.840 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 3.955 -14.977 5.986 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 2.381 -10.984 -20.323 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 -0.611 -3.278 3.963 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 0.344 -16.765 -12.278 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 12.080 14.273 -0.033 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 -2.323 -0.312 4.724 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 -3.203 -28.043 -20.702 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 4.487 6.631 -6.886 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 -1.768 2.075 8.626 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 -1.501 -9.465 5.747 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 4.852 -1.294 -7.253 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 1.019 5.512 -5.043 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 11.713 -3.035 13.626 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 -12.447 -8.401 4.928 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 -1.301 -3.478 0.780 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 -9.753 -6.618 -5.009 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 6.341 -6.795 -2.684 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 -0.816 0.309 1.188 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 -0.701 -5.133 -8.056 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 -1.059 5.864 11.244 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 -3.127 9.142 -3.115 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 6.807 15.131 12.760 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 -11.422 -2.585 2.022 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 6.681 1.967 1.107 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 10.189 1.025 12.265 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 4.334 -14.799 10.609 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 5.038 -2.442 0.997 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 -6.332 -0.682 -7.453 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 3.221 8.609 16.753 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 -7.522 4.890 -5.139 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 -5.045 11.412 -3.705 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 -1.656 10.900 -2.915 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 -8.758 0.144 -1.195 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 15.628 -8.826 6.955 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 -12.446 -0.847 2.315 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 3.750 5.413 -1.342 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 2.609 -0.108 -23.983 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 -7.269 17.146 -5.791 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 1.442 -1.747 0.917 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 -4.601 3.559 -7.688 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 11.583 -8.349 -3.774 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 0.208 -2.403 -1.405 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 8.440 13.381 9.954 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 11.610 -7.205 3.967 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 0.515 0.160 -2.039 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 5.567 -1.250 -10.670 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 -9.615 0.264 -4.892 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 -4.810 2.447 0.107 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 -3.474 3.682 1.507 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 -3.945 1.277 0.976 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 4.869 6.057 2.426 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 9.705 1.263 1.029 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 18.372 -0.616 10.239 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 -3.171 -4.697 -1.839 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 8.431 -2.924 -6.367 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 -11.349 -2.002 -17.958 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 -1.789 -9.019 -1.292 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 -17.664 5.886 1.781 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 -18.250 -15.022 -3.709 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 -1.999 0.275 3.144 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 -3.114 0.428 9.289 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 2.369 13.003 3.294 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 -3.357 8.038 4.908 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 0.655 18.392 -2.627 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 -8.843 -5.358 13.101 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 -2.912 -2.049 2.322 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 -0.870 1.496 -1.436 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 1.299 8.156 -7.269 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 2.221 -2.601 1.007 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 -24.406 12.712 5.053 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 -11.300 -19.506 -19.905 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 -1.640 0.649 -4.049 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 17.673 11.500 7.579 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 -12.385 11.896 -8.273 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 7.679 -0.095 -2.924 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 6.527 6.576 -3.802 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 10.281 -16.031 -8.683 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 0.681 3.959 4.398 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 -13.419 11.942 -5.476 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 10.552 6.696 14.633 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 -0.696 -0.885 6.708 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 12.092 15.651 -2.114 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 -3.904 -15.763 14.798 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 -1.086 -2.377 16.876 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 -10.868 7.921 -0.535 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 -4.250 0.760 11.741 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 -2.181 1.948 -1.010 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 -5.107 11.139 -0.059 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 -8.384 1.552 -1.703 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 0.420 3.361 -1.071 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 -1.556 5.547 0.168 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 0.451 0.742 0.494 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 -1.941 4.268 3.375 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 -12.138 6.257 -3.808 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 -10.055 3.409 11.957 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 3.329 -2.329 6.573 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 -0.412 4.590 5.954 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 2.871 14.053 28.918 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 5.235 -7.807 -9.131 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 -30.208 7.323 32.900 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 -5.912 -4.834 1.644 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 -7.268 -0.219 4.968 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 2.355 0.336 8.441 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 -3.603 -5.890 3.643 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 -1.761 -5.183 -0.171 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 -4.578 -2.654 -6.879 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 -1.466 -13.652 -0.166 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 2.671 0.523 -4.434 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 -8.067 -8.321 -5.388 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 -20.330 -17.128 -2.369 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 0.780 1.583 1.150 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 -17.315 -2.897 0.030 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 -5.345 5.586 8.350 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 0.168 -0.309 -1.753 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 -1.436 14.851 5.227 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 -2.172 -0.555 -0.058 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 -1.213 -1.540 1.661 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 2.422 -4.372 -1.772 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 -5.795 1.990 5.817 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 -1.568 -6.633 -0.816 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 -9.879 -7.448 -2.922 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 -16.482 16.770 -4.317 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 3.584 -6.819 1.512 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 8.134 -25.219 7.155 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 -8.928 39.599 -14.613 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 1.614 2.112 -4.714 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 -3.549 -0.564 -6.558 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 -0.106 -1.332 -16.645 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 0.076 -3.117 -2.114 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 -30.888 23.631 12.338 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 -3.646 1.795 -0.640 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 -1.692 -2.297 -3.203 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 -1.306 5.490 7.116 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 -0.278 -7.847 -15.826 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 -4.087 -2.929 -1.937 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 -4.600 -7.539 0.449 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 -12.065 -24.835 18.454 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 0.449 -6.012 4.414 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 3.899 2.932 15.581 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 -2.574 -11.634 -4.215 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 -4.375 2.206 -4.980 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 -11.834 -34.673 4.597 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 20.651 -5.349 12.017 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 1.879 -5.404 -0.840 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 3.220 2.664 1.650 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 -1.504 28.601 -0.501 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 -0.853 -0.893 -5.335 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 -4.740 -8.689 -11.984 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 7.279 -10.749 -15.179 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 -5.292 4.789 -4.254 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 8.357 -3.637 2.818 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 6.284 -1.803 2.188 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 -0.320 -2.960 1.372 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 0.337 -12.531 2.047 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 -1.073 0.646 -2.838 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 1.794 -8.255 3.090 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 5.088 21.985 11.627 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 3.565 -11.877 21.829 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 3.250 -2.300 -6.394 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 8.128 -4.468 -2.918 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 2.145 4.318 -5.422 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 -6.778 -1.430 0.669 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 4.022 4.877 -4.042 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 -12.200 -4.564 -2.649 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 1.002 -2.001 -6.186 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 3.290 18.065 0.879 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 4.657 6.580 -10.297 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 -2.361 -0.812 6.703 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 -27.160 -27.087 19.457 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 7.152 -0.524 9.264 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 4.854 2.375 1.634 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 9.902 5.936 0.208 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 2.059 3.373 6.435 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 0.284 -3.833 -0.075 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 -16.579 -7.112 -13.862 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 1.773 21.059 -5.576 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 -5.417 4.977 -7.285 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 -5.609 -3.096 -7.774 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 -10.493 14.252 -7.173 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 -2.224 2.825 1.930 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 -4.266 12.415 1.643 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 0.133 2.270 9.217 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 -1.642 -1.597 0.466 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 -2.592 1.257 10.604 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 -3.312 -3.776 -12.214 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 7.217 3.246 5.840 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 11.594 -15.617 16.418 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 4.402 4.201 4.576 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 1.020 -0.558 3.424 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 0.710 -6.027 21.291 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 -9.050 0.543 0.922 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 -6.527 -1.890 0.685 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 -7.374 -5.581 7.684 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 -10.019 -8.113 4.355 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 1.607 6.959 2.360 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 16.054 -17.095 5.851 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 -10.563 26.949 -0.038 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 3.513 -3.901 -3.477 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 -8.730 -8.461 -3.039 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 -2.385 5.857 1.907 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 -0.457 7.160 0.043 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 -8.681 21.622 -0.165 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 4.633 8.335 -0.821 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 4.917 0.474 -0.229 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 1.562 -1.082 -42.766 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 -8.706 -1.981 6.669 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 2.250 1.618 -0.341 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 4.851 4.309 -1.403 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 -1.240 -1.738 -2.437 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 2.776 -4.586 1.114 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 -4.293 -6.488 -5.961 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 12.741 -4.418 -15.611 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 -4.128 1.707 -0.270 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 2.082 8.129 5.280 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 -1.538 4.416 -9.628 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 -6.531 1.327 9.459 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 28.318 -11.986 10.074 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 -27.197 -4.209 -25.443 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 -3.664 1.104 2.197 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 -6.169 1.290 -2.673 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 -14.802 4.644 10.409 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 -0.894 5.943 1.061 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 -0.769 10.208 12.192 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 -3.337 16.026 -0.147 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 -6.178 -4.191 2.487 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 -13.437 6.192 6.647 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 -14.489 3.385 7.574 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 5.077 0.021 3.434 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 -3.341 0.474 18.678 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 13.872 -10.208 4.522 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 -5.442 1.391 2.312 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 -19.481 -3.146 11.502 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 -9.181 8.476 6.543 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 -5.989 -0.264 -4.768 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 16.354 28.474 12.836 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 -26.064 9.764 -23.382 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 4.530 0.149 0.451 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 31.583 -0.174 -5.336 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 2.701 -12.757 -17.477 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 -8.174 -3.971 3.504 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 -7.449 24.201 14.957 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 -17.687 4.404 -14.164 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 -2.345 -4.478 -2.600 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 -13.126 -17.898 -10.983 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 2.881 -2.475 -0.607 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -7.315 1.959 2.613 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 -21.821 -23.609 4.785 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 -6.434 1.477 -3.522 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 -4.200 4.010 -0.441 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 -8.595 1.463 -0.161 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 -3.143 4.371 3.334 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 2.049 1.631 10.442 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 12.114 -5.140 4.170 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 -5.611 15.160 8.444 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 0.851 -4.649 -1.513 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 24.612 -26.572 -10.252 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 -2.457 -11.310 27.735 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 1.364 -0.675 -6.405 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 -3.301 -10.457 -4.463 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 7.488 -2.677 -21.863 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 10.353 1.327 -0.441 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 25.859 11.138 -6.622 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 -6.508 10.383 -2.476 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 -5.741 -1.570 3.282 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 31.597 -11.673 -1.885 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 -39.582 7.780 6.326 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 -1.710 -2.711 -3.054 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 13.144 0.359 0.263 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 -4.957 -10.233 5.831 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 -2.454 4.672 1.306 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 -2.536 -3.595 8.415 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 0.542 6.778 -11.403 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 -2.832 8.010 4.106 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 -10.073 19.756 18.481 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 4.913 -16.918 -20.929 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 3.815 6.482 -0.234 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 -7.015 11.956 4.955 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 10.448 7.523 2.930 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 -1.546 0.711 2.934 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 16.057 -24.543 14.851 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 7.880 19.514 4.554 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 -5.204 -1.821 0.725 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 -54.468 -8.574 6.181 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 -9.928 -1.250 15.659 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 -0.601 4.435 -0.522 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 -7.544 7.103 -16.640 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 -0.267 14.060 -4.254 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 9.277 3.719 -6.363 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 6.401 10.016 -1.949 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 7.363 7.812 -14.462 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 3.321 -7.647 -3.422 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 -3.428 5.084 6.329 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 4.738 4.621 -19.405 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 1.925 1.343 -0.259 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 26.496 -1.597 6.121 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 19.832 -2.133 3.476 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 2.314 0.013 2.372 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 -24.430 21.430 -17.394 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 -16.375 6.025 -6.114 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 1.378 -6.465 4.317 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 6.295 -16.625 -4.236 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 -6.691 12.384 12.970 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 1.796 -5.036 -2.667 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 -13.116 -19.997 10.101 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 15.247 -19.417 3.898 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 5.347 4.579 2.814 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 -3.513 -10.545 1.690 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 12.652 -8.271 -2.864 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 0.589 -1.165 2.214 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 -14.121 -0.400 -14.436 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 -8.070 -21.049 18.366 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 7.223 -2.973 4.283 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 8.839 8.243 19.583 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 17.030 -5.145 -16.669 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 4.818 -9.101 -1.204 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 -3.096 -20.931 -6.040 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 -6.376 3.836 -2.888 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 -1.085 3.424 -5.486 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 10.199 -20.838 2.594 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 -14.393 16.400 4.856 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 -1.970 1.133 1.545 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 -3.654 -1.557 -10.521 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 -0.393 1.995 -9.501 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 1.992 1.301 -1.091 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 -2.677 5.272 0.422 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 -14.838 19.409 -3.443 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 -1.903 6.272 9.223 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 -5.799 -7.775 7.254 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 9.556 -8.138 7.131 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 0.315 -1.766 0.101 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 -8.777 -5.590 -9.924 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 -7.684 -2.103 -5.663 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 -2.701 -0.177 3.876 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 -0.492 -5.132 -1.467 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 -2.813 -5.662 -2.060 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 1.989 0.401 -7.334 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 4.025 -12.779 -17.326 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 4.212 -4.128 -17.656 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 -5.386 2.524 4.313 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 -5.267 -1.454 -16.038 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 14.807 6.810 -3.837 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 1.781 -2.227 0.014 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 -5.243 5.554 -1.396 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 -20.934 -0.200 -0.983 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 4.126 0.374 -2.705 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 3.184 0.954 18.411 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 8.209 -6.247 -12.243 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 0.040 4.332 7.884 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 -16.821 25.396 14.799 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 8.730 -11.849 10.058 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 2.301 -4.506 4.336 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 11.096 -9.527 8.682 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 -4.680 -1.841 13.246 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 4.749 -2.796 2.175 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 8.844 -2.568 -0.282 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 1.984 -4.287 -0.812 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 -2.015 1.663 3.279 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 -5.184 -22.331 7.773 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 6.163 3.657 4.296 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 -0.373 -5.543 -3.475 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 -0.278 -4.904 -7.630 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 -23.908 10.305 -15.554 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 -7.616 0.491 -4.832 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 -8.136 14.375 -1.026 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 -11.306 7.044 -0.463 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 -4.108 4.033 0.045 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 -14.365 -10.964 12.218 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 -7.173 5.361 14.834 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 -0.785 1.238 -1.382 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 -5.929 -0.144 -16.513 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 0.426 18.480 2.752 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 -1.721 0.794 -0.066 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 2.564 2.554 1.946 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 5.789 -10.255 28.783 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 -2.577 0.394 -0.925 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 -20.999 -5.565 0.227 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 -10.159 -4.698 -3.635 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 1.914 0.582 4.526 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 -9.677 -10.418 16.470 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 4.253 2.675 1.977 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 1.184 2.237 2.148 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 1.635 -18.976 -14.628 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 4.394 2.467 3.001 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 3.895 -0.761 -0.565 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 -4.788 14.593 -0.947 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 7.480 5.186 8.004 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 -2.266 -5.595 -2.714 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 7.221 -19.211 -10.034 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 -9.121 4.622 -9.156 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 -1.454 11.925 -1.356 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 25.824 0.714 -3.503 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 13.781 5.717 -2.780 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 -2.334 8.104 -6.960 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 1.297 21.407 -45.566 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 13.950 9.455 19.479 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 -2.231 10.478 -2.948 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 16.604 0.974 -11.134 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 -33.298 -2.030 -13.639 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 -5.647 4.932 -0.058 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 -14.860 22.010 20.749 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 -1.658 4.170 1.386 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 -2.088 -5.520 5.443 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 -5.494 7.278 -18.206 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 10.177 -19.627 15.359 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 -5.392 -5.710 -0.628 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 3.354 -10.135 6.852 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 -11.167 20.612 -23.737 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 -0.954 1.094 -2.260 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 -18.947 4.281 -32.308 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 18.261 -3.836 26.098 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 8.692 -0.009 2.957 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 12.954 -13.062 -7.831 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 8.102 -5.288 -0.015 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 -2.194 -6.382 4.484 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 -7.670 -7.733 5.336 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 -18.260 -9.524 8.385 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 -4.958 1.275 1.092 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 -4.109 -9.548 -5.371 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 -8.131 3.850 7.232 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 5.768 -4.149 6.349 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 5.466 4.493 -12.018 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 2.384 4.898 -9.964 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 2.863 -2.967 0.395 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 -1.771 6.811 0.170 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 5.084 -2.359 -1.070 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 -1.819 -2.578 2.457 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 -3.279 -1.005 -3.563 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 -0.608 -7.815 19.142 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 -3.498 8.855 -1.626 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 3.853 -14.884 2.232 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 -17.876 -12.635 -9.827 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 -1.132 2.752 -4.962 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 28.204 1.768 -44.351 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 -20.541 -18.700 -6.425 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 0.740 -0.774 3.336 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 0.502 1.733 10.788 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 -0.831 -3.635 9.597 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 2.805 3.518 7.767 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 8.934 3.606 -0.077 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 12.751 4.387 -11.518 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 1.876 4.416 3.025 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 -6.036 -5.357 -1.857 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 27.913 5.517 16.488 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 1.634 -2.765 -7.205 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 8.527 -6.048 -1.231 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 3.781 5.765 -10.075 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 -6.368 4.898 -1.703 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 -7.340 28.430 6.571 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 -6.483 0.170 -7.588 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 -3.354 1.185 1.542 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 6.039 -3.067 -15.080 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 -11.290 18.913 -6.736 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 -6.779 2.071 2.079 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 -1.125 1.120 5.392 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 0.597 1.576 5.793 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 -4.748 1.389 -1.315 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 -8.409 -5.650 1.488 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 -7.599 1.871 -9.244 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 3.946 -2.556 -2.344 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 12.920 6.156 -5.195 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 3.562 -0.054 7.893 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 4.516 -3.716 2.989 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 6.125 2.278 2.268 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 12.722 -18.564 -4.557 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 1.003 -1.016 -4.829 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 6.883 -12.981 -6.342 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 -10.375 28.846 -0.502 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 -4.092 -1.313 2.133 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 0.142 -0.123 -7.174 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 -7.144 -5.791 3.980 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 1.301 0.833 -1.356 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 7.107 2.661 6.880 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 21.581 11.158 2.643 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 -3.929 -4.683 -6.362 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 -0.778 -8.809 -7.278 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 -3.550 -7.532 -5.614 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 1.808 -4.506 1.035 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 31.595 5.662 -0.828 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 17.681 2.293 -2.314 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 2.191 1.907 1.722 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 -4.544 -14.535 2.152 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 -0.113 -7.224 -7.179 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 0.753 -0.235 -2.491 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 -2.942 -2.943 10.737 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 -2.626 -13.839 -12.503 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 -4.580 -1.399 -1.264 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 -3.563 2.589 28.852 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 -6.909 2.846 3.006 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 8.581 2.274 0.249 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 5.151 8.597 -14.625 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 13.752 -20.654 -15.609 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 0.015 -0.676 -0.938 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 10.007 -8.053 1.034 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 -0.600 10.317 -0.616 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 3.694 -0.504 0.977 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 11.004 11.312 5.823 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 5.849 1.237 0.810 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 0.173 -0.548 1.233 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 -2.315 -10.007 -16.128 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 3.798 -0.167 12.615 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 -3.055 -1.244 -3.783 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 -4.432 17.244 4.765 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 6.642 -7.023 -5.547 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 5.610 1.729 5.543 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 -8.539 41.036 -14.932 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 -20.478 -21.086 -8.446 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 3.575 1.978 0.471 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 -3.947 -2.491 0.243 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 4.035 -5.228 -30.723 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 2.093 -2.083 0.125 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 6.444 -16.579 -16.754 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 -19.293 18.574 -20.391 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 1.927 0.050 -2.061 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 4.088 -14.548 0.858 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 -2.079 9.325 1.852 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 -7.579 0.606 -4.563 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 3.470 0.546 0.197 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 2.286 -0.659 -9.634 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 -3.763 -2.234 1.993 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 -13.228 -13.880 23.169 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 19.146 -17.733 0.028 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 2.878 -5.976 -2.537 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 -3.526 -15.414 14.860 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 18.645 5.446 -2.240 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 -6.532 2.285 10.606 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 6.199 -8.557 0.553 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 -11.583 16.102 10.727 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 1.175 -4.685 -2.537 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 -2.715 -9.276 13.544 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 24.213 14.602 3.686 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 4.788 -5.065 -4.905 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 8.796 10.207 -0.150 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 4.037 -9.794 7.171 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 -3.013 7.689 -4.700 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 -0.520 -6.246 1.765 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 17.010 -9.854 7.794 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 -3.175 6.123 -1.918 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 -3.578 -23.847 -9.558 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 0.607 -15.817 -7.312 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 -4.721 -0.171 7.626 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 -42.155 14.189 -2.797 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 -15.350 37.080 -7.494 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 2.757 -1.907 0.988 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 -9.948 2.631 -6.460 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 -6.409 5.082 -11.709 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 -6.702 -6.374 -0.221 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 -15.483 -1.588 -9.690 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 -12.940 -17.461 0.082 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 3.701 3.046 0.451 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 8.100 -1.741 10.242 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 2.054 3.624 2.626 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 -0.657 -0.960 5.000 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 0.328 -0.546 10.290 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 -0.373 -7.099 -2.759 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 0.326 -3.927 0.004 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 1.617 27.044 10.481 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 12.665 -4.561 3.690 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 3.744 0.759 4.790 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 -12.694 5.315 -0.119 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 11.169 10.219 11.336 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 2.183 -1.005 2.029 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 -1.284 2.123 -15.983 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 -5.841 3.714 -3.593 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 -0.199 -9.985 -0.270 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 -3.105 -18.785 -2.750 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 -10.371 6.779 2.607 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 1.137 -1.334 1.893 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 -11.107 0.918 34.348 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 5.479 1.800 -23.560 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 -3.177 1.794 -1.352 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 -11.015 0.178 -4.522 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 -9.918 -4.633 -2.713 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 -5.199 -5.855 7.874 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 12.538 28.116 18.414 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 16.076 -21.085 -19.367 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 3.674 0.460 -1.509 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 0.485 -5.159 12.697 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 10.239 5.962 17.548 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 -0.053 -6.861 -1.519 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 1.088 -6.882 -8.094 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 -1.137 -1.661 7.458 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 -1.739 -0.106 9.282 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 22.358 -6.981 -2.723 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 -22.630 -9.845 -10.832 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 -2.745 -5.306 -1.260 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 -13.927 0.395 -6.723 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 -10.408 10.370 -4.760 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 2.992 0.115 -1.973 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 -6.428 2.359 1.167 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 -20.186 5.765 10.719 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 0.001 1.407 5.221 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 21.436 -7.009 -26.932 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 -5.756 10.602 -5.814 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 -3.520 -3.222 -1.282 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 0.032 -7.647 0.439 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 6.974 4.689 -12.503 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 -1.769 0.098 -3.379 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 8.137 6.448 -11.510 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 2.301 0.367 3.889 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 5.215 -3.038 -3.231 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 13.696 -19.352 6.043 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 -17.362 9.173 13.178 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 1.662 3.539 3.117 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 19.535 17.892 2.582 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 10.273 -20.846 9.559 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 -9.308 -4.317 4.259 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 35.828 -3.967 -2.821 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 16.316 4.830 -4.969 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 -6.439 -4.128 -2.297 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 -2.576 36.267 -10.158 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 -7.974 -6.660 -34.532 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 7.489 -1.650 1.420 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 6.608 -0.670 -1.049 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 13.713 -10.135 -5.665 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 5.929 -6.433 -0.969 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 -36.970 9.076 -29.890 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 -1.853 -30.366 12.554 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 -5.874 3.995 -1.031 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 -10.937 11.897 -13.102 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 -25.989 -25.744 41.650 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 1.753 1.562 2.575 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 -4.073 10.673 6.072 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 4.998 -3.577 -1.903 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 0.460 4.856 -1.445 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 8.184 4.223 0.591 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 -6.684 -0.080 7.637 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 -4.887 1.750 -3.529 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 -22.392 22.714 -26.158 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 21.990 -11.506 -21.539 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 6.258 -2.615 -1.451 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 11.759 -16.380 -8.968 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 9.092 -4.985 13.568 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 1.283 -4.869 -0.678 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 -9.686 11.385 -2.680 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 10.933 -10.823 13.742 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 5.120 -2.735 4.112 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 6.661 -4.585 1.253 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 5.125 8.811 8.429 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 2.481 5.271 -2.829 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 12.615 3.946 5.139 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 18.559 4.981 1.623 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 -6.341 0.513 1.445 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 -3.957 1.711 11.401 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 -2.785 0.940 -6.436 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 1.363 -5.632 -1.104 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 1.855 -16.452 17.104 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 13.362 -33.503 10.168 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 -4.463 -0.667 -2.064 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 -4.690 -0.052 -11.690 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 11.264 -2.050 -9.384 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 -3.494 -1.249 0.295 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 11.132 -22.196 10.678 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 -25.159 -12.699 -12.624 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 2.086 -7.470 -1.000 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 17.424 8.971 -1.948 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 18.628 9.535 -1.741 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 -4.299 -1.774 -2.652 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 -17.510 -13.647 5.144 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 12.628 12.601 -14.285 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 7.155 -1.478 1.072 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 -7.072 -0.973 -4.506 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 1.768 -19.734 -27.669 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 -1.591 6.836 -2.532 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 -1.041 -27.503 -21.399 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 18.686 1.879 23.319 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 2.290 5.247 5.935 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 -4.388 27.039 1.751 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 -9.604 4.719 -0.833 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 -2.684 2.436 3.915 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 -4.226 20.106 7.886 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 3.961 28.009 -24.022 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 -5.076 1.547 8.900 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 -5.217 -2.739 18.598 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 -5.524 2.655 4.954 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 4.133 4.222 0.394 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 -3.119 6.965 -1.013 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 8.230 2.257 1.283 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 -1.165 -2.770 0.950 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 -0.666 -4.661 19.109 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 9.236 -8.236 18.569 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 -9.780 -3.627 -4.182 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 -8.220 -9.557 -11.525 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 -5.343 -10.811 -24.791 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 0.091 -2.488 3.847 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 6.619 4.912 22.856 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 -6.989 18.705 4.246 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 2.371 -0.689 -2.214 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 -0.858 10.801 -12.120 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 5.184 11.897 -0.694 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 3.347 1.989 1.974 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 15.313 3.633 15.228 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 -13.282 14.197 7.198 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 -0.354 -3.448 4.487 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 -8.631 -9.777 -4.927 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 -9.817 7.149 21.365 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 -4.445 -0.409 5.147 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 -28.394 -3.228 8.501 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 1.742 17.518 -5.707 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 -3.497 1.048 -1.149 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 -17.453 27.469 -17.175 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 -12.433 16.038 -12.040 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 1.243 -2.398 -3.156 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 0.728 0.648 -7.500 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 9.053 16.368 -10.815 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 3.750 0.800 6.776 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 7.086 -3.934 5.874 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 -7.512 10.347 5.421 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 4.588 2.437 7.859 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 -16.524 -1.905 -5.154 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 -0.299 -2.851 -2.510 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 6.612 0.045 1.783 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 4.821 -3.289 6.187 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 -4.188 18.087 -8.080 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 -4.629 -6.679 -4.129 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 41.506 5.316 6.595 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 -20.366 -1.703 2.441 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 0.268 5.058 5.707 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 1.058 17.250 17.952 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 4.274 -3.859 -12.649 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 -0.362 1.712 4.382 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 1.348 2.412 5.158 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 -2.955 3.776 4.399 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 -1.741 -3.308 4.599 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 12.021 -9.652 -5.537 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 3.225 -10.967 -7.544 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 1.299 -0.018 -3.704 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 9.662 24.976 -14.214 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 4.013 1.577 25.915 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 3.334 2.718 2.366 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 15.539 -7.708 -1.705 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 4.282 -1.951 10.210 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 0.936 1.229 -3.922 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 25.762 -2.091 -8.961 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 15.548 0.998 -27.158 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 -2.689 3.839 -0.962 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 -1.487 2.399 2.549 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 16.332 5.434 7.541 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 0.773 4.012 -0.556 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 -2.366 3.044 17.460 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 0.198 -7.791 -5.971 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 -2.565 -1.655 4.662 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 -6.448 -2.482 3.334 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 -2.073 -0.283 2.963 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 -4.317 -6.136 -2.586 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 -0.549 -5.694 -6.272 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 -1.930 -1.867 2.331 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 -3.442 0.759 -3.562 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 12.977 0.998 -4.871 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 10.416 1.338 4.924 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 -0.261 -0.970 7.555 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 6.115 15.117 9.900 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 -2.418 0.392 -10.310 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 0.196 -0.613 -4.273 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 9.675 -8.042 -4.474 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 4.218 9.409 -5.925 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 0.919 -3.105 -3.696 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 -14.279 -19.030 9.468 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 -8.071 -4.426 16.551 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 -0.941 -3.668 3.492 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 8.945 3.921 5.294 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 3.485 -14.518 6.632 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 -5.834 5.721 0.129 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 -15.121 8.858 -2.300 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 23.301 2.723 -2.795 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 -8.028 -6.092 -3.518 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 4.989 5.694 -5.449 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 -9.131 -12.676 -13.459 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 5.828 -3.789 -4.183 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 -0.448 -3.739 -33.268 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 -5.822 -30.725 8.801 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 -0.852 -1.590 3.199 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 -18.164 -7.586 1.782 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 -6.424 -1.769 -16.755 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 -5.230 -2.129 0.170 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 -15.800 -9.350 8.135 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 -5.427 5.555 13.458 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 1.168 2.227 6.305 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 -16.485 -12.897 35.402 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 -7.106 -21.852 34.573 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 0.622 1.140 -1.507 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 -7.177 -22.092 27.593 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 0.243 9.470 -3.776 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 -1.079 -2.217 -6.083 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 -2.326 -14.189 0.956 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 -0.429 12.197 -11.535 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 0.592 -0.471 0.980 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 3.121 -12.992 -1.195 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 0.434 -2.893 17.567 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 1.670 -3.970 -0.474 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 7.451 2.361 20.531 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 17.162 17.068 7.849 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 -3.565 -2.232 2.279 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 -13.966 -1.825 2.735 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 -1.407 -7.317 -3.230 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 -9.069 2.077 -5.754 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 7.348 11.067 7.011 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 -18.824 6.018 -6.838 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 3.984 -2.777 3.318 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 7.633 -15.424 -6.795 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 11.991 1.870 12.577 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 -9.369 -0.608 2.549 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 -3.403 -0.353 5.384 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 -0.880 -2.666 7.013 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 1.998 -1.194 1.261 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 -5.259 7.434 -11.259 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 -1.326 -4.627 5.010 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 -7.411 3.703 -0.523 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 -2.634 -6.509 2.475 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 -6.500 16.389 -5.231 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 0.773 2.712 -0.459 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 -0.717 13.560 0.348 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 3.820 2.135 -5.638 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 -4.046 1.375 -0.576 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 -33.125 -3.426 0.425 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 2.895 -30.914 -4.454 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 2.560 -0.379 1.263 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 10.733 3.623 -2.547 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 5.953 1.499 -0.208 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 -5.661 0.314 2.166 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 -5.048 3.220 -8.410 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 2.566 5.383 25.861 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 6.738 7.973 2.885 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 19.652 -8.490 26.536 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 24.752 -16.315 23.900 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 -5.171 4.495 -4.191 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 -23.095 20.274 7.521 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 -4.183 9.893 -12.945 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 1.621 2.377 2.586 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 14.519 3.180 7.751 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 -12.813 -5.234 -17.115 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 -1.635 -3.415 -0.930 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 -7.349 21.872 -12.947 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 5.743 -9.668 -1.482 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 2.790 0.912 -5.065 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 -2.425 -8.165 5.445 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 -11.810 14.503 2.161 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 -1.220 5.927 4.347 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 -4.042 -8.609 -2.399 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 -0.650 6.970 5.661 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 3.792 -3.437 -2.159 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 -13.111 -5.756 2.195 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 17.805 -12.051 -5.736 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 -2.545 1.699 1.461 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 10.095 15.253 -13.091 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 0.334 -18.289 -2.775 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 0.978 4.473 0.113 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 -3.611 3.483 -3.483 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 18.054 4.078 7.945 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 3.779 -3.904 -5.130 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 -1.523 -18.185 20.187 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 5.002 -0.152 -11.558 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 -6.351 -5.515 0.883 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 -11.546 1.407 4.612 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 -4.385 4.774 -6.019 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 5.062 -1.524 -6.118 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 8.056 -24.526 -21.004 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 -0.769 -15.626 3.294 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 3.672 5.836 -1.404 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 10.962 2.889 -28.185 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 -16.228 -17.396 -11.247 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 1.516 -4.943 4.382 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 2.616 -6.592 2.397 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 7.703 14.851 1.422 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 7.138 -1.244 2.071 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 8.815 7.328 -5.433 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 -1.109 1.790 5.772 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 7.834 -3.935 6.047 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 7.445 -3.717 12.042 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 9.824 -1.978 9.735 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 -0.378 -1.897 -4.835 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 1.441 -14.736 -2.745 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 -5.090 -29.537 -8.721 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 0.870 -3.786 -0.791 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 21.506 15.223 2.758 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 6.534 -26.206 15.100 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 1.385 0.031 8.620 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 4.347 -5.507 10.999 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 0.533 0.068 7.731 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 -1.060 1.974 2.096 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 1.240 1.049 6.372 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 30.376 3.629 36.577 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 1.967 -0.629 -6.359 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 -6.703 2.997 -11.752 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 13.419 0.124 7.872 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 -10.522 3.779 -4.905 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 11.753 -13.923 -7.165 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 -20.249 -3.472 19.819 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 -8.594 2.826 -0.921 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 -19.201 9.525 -12.403 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 15.554 0.068 -4.926 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 2.793 -1.251 0.107 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 5.827 1.502 8.376 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 8.234 -7.592 -3.445 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 -2.264 2.522 2.351 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 -8.749 11.913 11.663 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 8.345 -9.713 -6.821 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 -2.996 -4.678 -4.700 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 -5.026 -6.626 11.136 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 -0.313 -5.618 1.560 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 -4.583 -0.558 1.655 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 -3.232 -2.491 1.672 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 -1.867 -7.052 8.995 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 3.516 -3.831 -5.729 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 -10.703 16.166 -13.036 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 -8.374 -25.206 -1.597 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 -8.591 2.036 -0.625 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 -3.987 2.660 4.553 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 26.450 -5.826 -4.778 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 5.193 2.208 4.315 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 31.428 8.637 8.788 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 1.823 10.776 -14.835 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 0.691 -4.599 -3.922 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 -9.711 -14.275 -6.627 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 7.597 -13.658 -0.030 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 0.539 2.069 -4.895 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 -3.665 -11.749 -19.311 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 2.330 17.416 -9.367 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 -4.005 0.162 -2.771 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 8.545 -11.275 -24.963 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 -9.368 8.431 -21.757 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 6.493 -3.753 3.551 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 14.085 -8.315 -6.315 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 11.239 2.065 -4.859 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 -2.884 1.827 0.497 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 -5.240 -1.387 8.022 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 -5.573 16.372 9.057 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 7.291 0.801 6.861 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 3.582 4.084 7.981 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 24.562 7.068 -2.382 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 1.444 4.112 -5.229 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 2.636 -13.846 5.968 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 1.880 -10.706 4.450 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 7.599 -5.498 -2.089 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 -5.688 4.564 -3.557 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 -8.856 8.836 -3.765 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 -1.458 1.166 1.695 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 -7.639 -6.703 13.677 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 30.009 -5.438 1.777 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 3.956 0.601 5.390 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 9.967 9.650 13.320 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 4.637 -1.453 3.644 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 -1.792 -6.470 -0.759 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 -4.752 -10.936 -6.515 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 0.547 -7.547 6.975 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 1.259 -3.488 1.013 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 -14.343 -16.361 4.862 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 -9.351 -18.619 7.064 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 -1.601 -6.700 3.880 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 -4.344 -21.285 6.213 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 -3.804 7.187 -3.693 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 2.410 -4.667 -1.394 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 -14.990 -4.022 18.854 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 4.760 3.134 21.849 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 1.807 4.881 1.494 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 4.946 -4.645 -15.892 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 9.834 24.331 2.238 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 0.657 1.335 9.086 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 -6.770 7.574 -10.281 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 -3.924 -3.606 12.238 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 -1.276 -2.193 -2.317 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 -6.390 -12.677 -8.309 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 -4.544 -7.160 -4.330 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 3.691 -2.218 7.997 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 0.549 -6.290 1.265 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 5.858 -12.447 6.811 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 -2.528 -5.498 2.809 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 -17.066 -15.638 -24.065 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 -15.995 -9.181 -4.056 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 4.086 -0.490 -3.480 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 10.343 10.950 15.702 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 -10.700 -23.140 4.556 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 -6.054 -8.537 -0.366 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 -18.666 -19.713 8.138 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 -8.291 -4.821 -9.870 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 2.259 5.249 -1.805 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 12.857 21.461 10.045 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 -0.201 23.028 -14.244 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 -2.126 -0.595 -3.378 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 -23.035 1.957 -1.119 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 12.223 18.227 9.116 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 3.856 -0.736 -0.403 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 10.275 0.047 1.666 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 3.987 -11.230 1.258 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 4.331 4.349 -1.853 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 5.547 5.743 -1.493 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 -2.646 -8.878 -5.138 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 -7.726 7.555 5.705 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 9.968 15.975 21.349 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 8.832 23.959 2.099 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 -2.413 -5.178 -4.357 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 -12.446 -25.057 -4.086 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 -9.175 -11.522 -7.147 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 -0.738 -0.493 3.788 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 -0.361 16.774 -25.936 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 1.078 -16.144 7.663 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 -0.519 7.514 -4.065 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 -3.649 -1.400 -5.394 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 -5.503 6.763 4.321 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 -4.494 1.261 0.775 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 -7.458 -3.993 0.754 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 -7.974 6.626 0.164 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 0.757 2.441 0.511 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 -9.177 -2.581 2.714 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 7.489 -4.389 3.126 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 0.520 4.434 1.620 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 -11.756 11.110 -9.347 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 1.741 -23.221 -7.726 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 -1.350 -8.318 -11.798 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 -9.739 -11.313 18.563 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 -12.454 -1.575 8.104 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 -4.590 1.634 3.588 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 -9.355 4.251 -11.632 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 -12.806 -4.682 0.266 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 1.232 2.547 0.606 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 16.319 6.754 -10.656 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 -7.919 -35.919 -3.825 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 -3.345 2.662 -0.828 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 0.932 3.800 1.103 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 -4.766 4.095 -2.747 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 2.330 1.128 1.918 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 4.899 -0.182 6.453 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 8.981 -0.337 -8.254 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 1.303 0.069 -4.408 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 -8.985 -12.502 -18.675 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 5.150 8.630 2.324 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 -2.146 -0.409 7.087 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 -2.264 -0.684 -3.452 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 13.358 -1.424 9.793 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 -4.645 -3.297 6.144 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 -3.990 -0.265 5.353 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 -4.673 -3.798 3.753 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 1.832 1.926 -3.851 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 2.448 7.947 6.509 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 -8.505 12.266 -8.786 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 1.386 -4.835 -4.061 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 -5.008 -6.499 1.686 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 15.178 -20.874 -24.617 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 -2.337 4.261 1.492 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 5.644 13.077 11.241 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 13.537 2.765 12.908 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 4.489 7.430 -0.166 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 -4.111 -10.397 3.555 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 2.065 5.688 2.821 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 -3.109 5.152 2.886 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 -17.921 1.362 -2.683 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 4.193 2.641 20.200 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 0.004 -9.317 2.989 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 -6.104 -16.152 0.158 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 17.587 -23.624 4.222 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 5.080 3.228 -0.201 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 -2.312 -6.596 -18.844 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 10.251 6.224 12.630 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 4.282 -0.401 0.955 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 -11.867 11.774 -11.818 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 -3.213 4.438 -0.640 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 -9.292 0.314 -5.669 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 -8.208 -0.239 13.264 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 -21.451 28.624 0.051 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 -3.969 -0.290 -6.515 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 2.515 -5.662 -24.109 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 3.735 -8.007 -23.163 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 -0.073 3.661 -2.742 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 -13.727 25.230 -32.459 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 10.525 5.770 7.780 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 -3.791 -2.517 3.504 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 -4.220 -1.316 4.101 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 21.017 23.354 -3.988 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 -4.985 -0.914 0.651 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 -11.771 8.370 -10.897 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 -7.476 4.497 0.472 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 2.255 4.101 6.424 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 -8.559 -5.775 -2.267 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 -11.445 -6.686 -6.487 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 -6.509 1.385 4.774 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 16.233 19.988 13.661 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 -21.221 18.385 -13.799 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 -2.682 2.833 1.929 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 0.072 5.144 15.748 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 -6.260 2.587 -10.983 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 0.821 -3.956 -4.652 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 27.158 -2.307 -7.882 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 28.101 -0.767 4.592 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 -3.743 6.566 6.456 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 9.276 10.466 18.194 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 1.962 7.792 19.178 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 -6.150 2.370 -3.771 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 0.769 -5.080 -3.984 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 -12.082 -13.020 -11.346 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 -1.319 3.279 -1.027 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 -22.523 14.990 11.051 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 12.135 2.235 -2.350 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 -3.569 1.138 2.463 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 -6.681 2.248 -4.496 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 -2.768 12.386 -5.208 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 -6.276 -1.002 -2.688 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 -6.819 -2.658 -3.316 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 4.866 -13.580 23.140 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 -3.876 1.245 0.150 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 -23.275 20.513 9.088 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 -3.687 -12.201 -27.714 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 -1.295 0.404 0.037 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 2.713 -11.234 7.491 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 3.335 7.431 9.034 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 1.789 -3.286 9.895 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 -0.822 32.324 -20.245 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 -25.030 -7.799 10.246 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 4.885 2.612 -1.118 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 3.033 -18.228 5.869 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 -10.298 27.786 21.153 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 2.104 -2.605 -4.476 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 18.832 -6.835 9.870 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 8.158 3.326 -3.727 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 4.273 -1.574 1.589 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 -6.389 -49.236 -19.297 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 -6.633 11.308 4.750 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 0.919 1.281 7.140 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 12.348 3.291 -25.031 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 10.919 4.288 9.045 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 4.673 -4.280 -2.506 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 8.956 -6.840 -12.661 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 13.927 -13.527 1.646 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 3.713 -0.213 -6.475 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 -12.245 -2.522 11.116 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 -6.508 -16.675 33.936 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 1.406 0.399 -1.972 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 15.762 8.805 10.898 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 -22.027 8.903 -13.880 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 2.760 -0.933 3.557 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 3.367 -1.388 2.893 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 0.571 -0.121 7.677 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 -0.453 2.199 -0.063 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 2.789 -16.732 13.736 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 -15.928 10.491 -23.258 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 1.047 0.435 -1.746 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 -7.677 2.078 14.906 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 14.210 2.307 2.241 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 -2.786 4.844 -6.175 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 -10.081 13.981 -2.632 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 -7.004 -2.956 -9.813 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 -0.348 -3.247 0.864 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 -5.696 -7.702 9.600 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 5.530 -12.185 -8.101 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 -4.138 3.878 0.611 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 -4.097 10.126 1.051 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 -5.494 8.057 0.515 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 -0.723 -1.271 -0.195 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 1.208 -1.103 -0.465 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 -0.185 -1.297 -1.050 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 -1.258 -1.681 6.555 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 4.002 -32.837 -0.771 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 1.489 -8.198 7.558 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 -3.239 -0.900 3.035 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 19.752 3.919 27.690 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 -8.732 -9.454 -3.486 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 4.486 2.655 1.125 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 16.984 7.250 1.380 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 -9.454 -22.034 -10.954 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 -3.743 3.608 -2.417 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 8.431 7.739 -2.377 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 -12.490 -0.297 -2.220 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 -1.119 -2.146 -1.466 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 26.234 -0.154 -12.089 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 6.122 -7.075 -12.442 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 5.928 6.145 -3.009 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 7.369 10.070 -12.443 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 9.485 -7.518 17.859 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 6.020 5.853 -1.320 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 11.306 -4.983 -6.658 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 16.879 10.085 -7.266 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 3.703 0.902 -7.899 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 -6.405 11.612 -22.730 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 -19.127 8.287 11.832 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 -0.663 -4.390 -7.326 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 -10.629 3.901 -14.725 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 3.364 -5.455 -1.391 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 2.098 -2.758 3.576 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 12.164 -13.207 -13.409 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 14.691 9.140 2.521 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 -6.274 -2.677 0.921 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 20.485 9.528 -8.022 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 -18.033 7.689 -7.152 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 2.495 1.663 2.161 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 5.659 3.504 -3.851 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 3.880 -0.803 2.556 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 3.652 7.325 0.212 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 1.577 11.941 -9.131 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 0.731 -8.843 4.226 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 -0.928 -1.094 -2.464 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 7.050 -11.559 -9.210 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 1.664 10.441 -10.730 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 2.003 -2.467 -5.712 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 -18.107 1.703 -1.571 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 6.819 -25.246 -12.072 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 -3.869 -1.406 2.628 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 9.058 -1.783 -5.547 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 0.570 -0.001 -3.378 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 -1.519 -2.460 -3.481 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 4.399 -6.629 -31.268 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 1.594 -1.050 10.186 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 -4.110 -1.566 5.947 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 1.868 0.430 6.410 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 12.477 19.979 -9.344 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 0.918 -3.686 0.841 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 18.527 -17.801 20.535 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 23.995 3.357 -9.921 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 -1.814 10.529 -3.470 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 -3.299 -6.176 4.047 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 -13.189 10.543 1.597 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 -6.601 4.431 -1.454 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 -11.876 18.848 0.609 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 6.835 2.805 11.788 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 -0.764 0.788 2.835 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 -0.115 0.808 -0.427 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 13.492 14.094 -6.183 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 2.298 -0.997 -3.538 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 -0.042 -8.540 -2.467 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 -8.068 18.640 -17.388 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 -4.880 2.488 -0.973 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 -15.568 4.623 2.829 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 -13.280 -10.180 -8.220 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 -3.417 2.779 3.317 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 -1.886 12.395 12.142 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 -2.032 10.668 7.221 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 -3.700 -3.156 -0.608 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 3.586 -8.226 -5.771 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 -1.757 0.117 7.362 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 -1.227 2.325 4.981 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 -15.357 11.624 0.917 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 10.043 -6.816 13.080 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 -1.775 -0.655 -0.257 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 1.794 1.655 -14.001 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 -6.601 6.593 -1.025 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 2.237 2.949 -3.774 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 1.196 32.472 -11.752 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 1.700 -10.157 0.924 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 1.751 0.059 -3.956 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 5.186 9.017 -8.528 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 17.632 -2.457 -0.048 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 2.461 -1.680 1.304 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 -1.545 -9.835 1.838 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 -2.439 6.214 -12.122 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 -2.085 1.474 -1.686 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 -3.043 -1.053 -16.483 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 1.143 6.073 -1.589 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 -2.927 2.605 0.964 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 4.003 13.504 1.968 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 -11.118 27.365 -10.952 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 0.257 -0.313 10.512 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 2.987 10.366 0.991 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 1.445 5.397 3.866 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 8.437 -1.282 -1.697 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 8.538 4.754 -0.564 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 16.389 -4.930 -6.061 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 2.869 3.149 0.862 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 7.626 18.601 25.174 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 -10.205 0.345 -2.651 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 2.965 -3.457 -2.100 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 -14.622 -5.444 1.147 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 7.245 5.783 14.690 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 1.627 -4.254 1.457 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 9.129 -31.004 1.814 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 14.355 3.585 7.599 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 -4.209 4.580 -5.938 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 9.975 -2.149 -12.928 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 -12.143 9.933 1.717 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 -2.422 4.002 10.815 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 11.105 14.673 8.569 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 -17.108 -7.691 12.990 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 2.541 1.008 -1.387 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 -25.608 11.533 5.725 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 13.298 8.785 27.520 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 2.426 -4.030 7.247 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 -6.489 -0.859 -16.678 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 8.351 10.859 12.375 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 5.757 -4.800 4.654 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 7.784 -5.368 10.804 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 5.737 8.170 3.711 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 6.916 -3.353 4.621 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 -7.940 -2.257 7.428 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 -12.523 -1.241 -2.903 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 -4.087 -1.607 4.191 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 -1.099 -6.976 16.919 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 -0.649 -14.490 4.816 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 4.575 -2.027 5.531 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 -18.728 0.184 -17.855 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 13.671 13.287 3.706 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 -5.859 -0.348 -4.809 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 -5.884 6.092 -11.591 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 21.444 -3.591 8.676 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 -4.469 -0.239 1.714 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 7.979 8.389 -2.684 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 -8.815 9.239 -1.550 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 -9.129 6.307 -5.926 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 -5.268 1.467 4.490 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 -9.292 -7.016 -13.949 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 -1.323 10.193 -1.353 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 3.443 -2.147 2.242 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 0.253 11.169 10.679 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 -2.781 2.488 -1.207 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 -5.607 7.652 7.184 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 -1.508 1.588 -6.007 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 -1.334 -0.523 11.510 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 4.853 -10.162 -7.173 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 12.476 -14.686 -17.005 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 -2.983 -0.752 -0.886 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 -2.287 -3.374 -0.544 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 -13.816 26.373 -1.462 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 4.281 -2.003 -1.865 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 8.864 -5.152 2.736 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 2.675 3.391 -2.022 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 -3.628 -0.644 6.543 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 14.618 11.294 -3.460 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 -4.407 -13.558 -1.343 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 2.185 6.675 -0.082 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 -4.314 1.023 -24.141 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 -6.237 11.516 7.869 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 3.375 -6.280 5.948 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 1.496 -8.386 -2.781 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 -5.023 -5.357 10.246 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 -3.123 0.405 -2.176 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 1.164 22.793 9.700 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 1.085 -16.121 18.022 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 1.185 0.801 -2.356 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 6.358 -4.089 9.744 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 25.047 5.255 -15.661 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 1.635 -2.774 -0.091 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 6.115 -8.404 -1.800 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 3.954 -1.407 7.822 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 -5.353 -4.152 5.953 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 -16.461 -4.573 1.388 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 -33.194 -2.297 -3.573 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 0.158 -3.943 -7.405 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 -14.483 -36.159 10.789 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 -8.930 -5.091 6.379 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 4.535 1.496 4.273 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 -5.561 7.925 -10.195 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 -15.147 14.904 -21.375 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 -3.719 0.008 1.902 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 2.564 -6.573 -4.009 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 -9.659 -3.524 8.036 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 -0.441 2.641 0.881 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 10.411 -16.823 -5.669 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 0.578 -5.952 -1.345 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 -3.038 1.927 0.059 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 -1.703 -20.070 15.674 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 18.052 3.442 14.235 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 5.658 -3.188 -1.297 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 -5.676 37.822 9.607 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 -26.934 33.850 -8.765 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 -2.410 -2.791 -0.938 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 11.394 -1.106 0.262 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 -6.571 -18.853 -0.798 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 -1.213 -1.554 -1.666 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 6.774 -2.955 -12.281 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 1.572 5.515 0.251 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 -3.784 5.124 -2.698 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 -20.219 1.150 17.304 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 15.205 -12.112 -16.507 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 -3.602 -0.789 3.185 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 5.355 -9.878 4.843 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 1.955 -5.337 4.195 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 0.460 6.406 5.302 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 -11.216 -12.926 -0.268 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 3.130 10.926 6.690 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 0.009 5.077 4.252 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 -7.012 7.348 11.467 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 -21.866 11.292 9.846 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 5.597 2.669 3.795 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 10.094 -18.959 -12.824 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 8.450 -12.004 -10.828 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 1.278 0.794 -3.198 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 -18.760 6.633 2.928 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 -16.914 13.798 -27.190 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 2.503 -2.333 0.829 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 -2.849 -0.755 -3.629 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 -0.458 3.635 -14.941 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 6.182 2.301 -2.363 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 7.481 4.424 5.929 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 0.327 -1.790 -0.711 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 -3.449 -1.458 0.118 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 1.276 2.492 6.773 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 -1.989 -7.130 6.170 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 -3.035 3.845 2.198 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 -2.138 5.131 -2.067 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 -5.907 2.638 5.456 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 0.762 1.232 0.112 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 -2.708 6.997 -16.875 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 1.823 -3.923 19.596 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 -1.085 1.672 -2.706 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 8.281 -2.794 3.227 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 3.658 2.368 7.238 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 -6.671 -7.137 2.073 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 4.262 -11.020 0.962 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 -7.963 -9.865 4.132 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 3.668 -2.967 3.265 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 8.891 -6.278 -4.587 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 -7.164 -2.857 -0.729 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 -3.632 -3.007 3.644 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 22.281 -10.830 1.494 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 -15.021 -27.962 14.657 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 -2.990 6.263 -0.281 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 -3.234 10.216 -18.539 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 5.922 -1.638 0.551 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 0.303 2.413 -4.045 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 10.117 17.197 -14.403 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 -7.790 -24.333 -3.554 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 4.266 3.877 5.988 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 -20.558 -4.254 -1.505 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 0.042 22.213 -0.175 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 4.742 -5.128 -3.376 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 10.131 -9.743 -15.757 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 -6.271 0.657 18.865 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 2.904 3.266 -3.987 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 -7.910 6.151 6.912 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 -5.182 -7.442 -18.084 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 -2.689 -5.126 4.628 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 0.915 -5.500 -12.070 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 -3.664 -7.268 8.657 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 -1.397 -3.129 0.233 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 2.964 -25.177 -16.106 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 2.206 -20.409 -1.034 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 -2.069 -5.360 5.517 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 -14.373 7.626 24.700 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 -6.441 11.169 -7.645 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 7.208 1.933 -1.229 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 -6.377 -23.767 -29.820 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 -23.131 -17.319 -2.194 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 0.960 0.357 3.556 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 -17.369 10.201 2.116 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 -12.984 -19.185 -0.802 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 -2.156 -1.496 3.076 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 1.168 0.670 8.701 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 -6.347 -10.976 6.957 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 -4.150 7.716 -1.858 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 -3.889 8.294 -1.013 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 -3.362 7.928 -1.672 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 9.056 1.095 -4.406 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 0.287 15.547 -9.277 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 13.764 -5.744 11.445 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 -3.299 1.635 1.371 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 3.231 0.000 0.207 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 -6.703 9.505 -21.060 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 -0.321 -8.255 2.526 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 -7.126 -14.513 -8.590 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 -9.746 -16.201 3.219 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 -6.538 -5.869 6.173 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 -18.789 -7.255 -2.333 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 -12.199 0.153 18.555 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 -1.797 5.366 1.491 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 -18.630 11.776 4.361 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 -17.449 6.084 6.403 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 2.926 0.369 -0.891 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 -2.735 15.427 -1.512 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 10.620 4.297 10.466 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 -3.066 -1.401 -0.944 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 -3.787 -5.323 -6.715 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 -3.269 -5.107 0.644 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 2.636 2.954 0.586 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 -2.400 10.428 4.696 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 9.738 -6.899 -1.703 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 0.267 -2.839 1.023 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 -1.950 -3.681 -11.213 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 1.779 -19.123 5.896 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 5.448 2.761 -0.993 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 6.795 10.437 11.680 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 8.659 -1.298 -2.853 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 0.443 -9.829 1.320 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 -2.653 8.125 1.050 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 -8.100 1.028 14.260 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 0.537 -6.459 3.413 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 0.048 2.713 -7.754 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 -3.651 12.424 19.305 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 3.032 -1.958 -1.193 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 -17.875 5.906 -3.790 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 8.779 3.051 -0.245 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 1.864 3.270 -10.890 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 -7.704 -0.107 20.363 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 13.858 15.705 6.668 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 4.328 -1.629 -5.604 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 -9.591 -1.724 -0.540 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 14.562 8.534 -6.646 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 3.077 4.787 3.947 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 -19.751 -6.869 17.174 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 7.188 19.025 -20.391 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 3.884 5.227 -1.038 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 19.380 3.973 -10.182 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 0.764 30.062 -1.666 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 7.927 3.211 -1.403 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 15.369 -10.019 3.788 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 18.292 -2.995 -0.447 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 1.727 -3.608 8.809 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 -6.247 1.431 9.921 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 9.862 -7.335 11.618 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 -8.519 0.169 6.268 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 -4.785 -3.162 5.382 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 -27.684 10.232 9.544 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 -0.988 4.283 8.665 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 12.363 7.022 0.656 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 24.828 9.439 -5.329 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 -8.586 0.153 -1.357 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 1.445 5.721 18.184 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 -34.422 -1.845 6.585 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 -1.267 -3.445 4.339 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 10.636 -10.320 -2.344 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 -8.892 12.895 -9.338 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 -5.548 1.415 -0.621 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 0.227 -27.508 4.700 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 4.255 9.208 -0.786 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 1.891 8.091 -0.484 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 -6.374 -12.114 -0.940 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 14.146 -6.609 -12.349 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 1.491 3.642 2.051 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 -14.493 -20.236 12.990 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 7.213 17.349 -3.340 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 -2.652 0.971 0.221 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 -5.958 -2.672 0.313 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 -3.450 -31.212 -0.129 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 -3.534 5.870 -2.284 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 -0.822 0.926 2.258 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 -21.708 27.383 -12.415 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 -0.479 -5.774 1.635 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 -12.085 6.459 39.629 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 -18.183 27.351 5.299 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 5.841 -9.915 -1.930 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 -9.322 -17.786 -1.528 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 19.279 4.420 -6.518 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 -8.792 -2.027 2.205 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 1.373 4.474 2.326 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 -2.558 -3.001 -2.765 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 -6.234 1.814 6.262 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 -7.060 10.147 3.831 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 -6.027 3.507 -4.918 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 -0.925 1.667 -2.232 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 -6.884 1.788 7.380 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 5.068 3.555 -11.367 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 -3.719 -5.526 -1.838 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 5.861 -14.716 -2.685 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 15.306 6.811 0.822 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 -1.786 2.185 -2.693 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 27.690 12.121 -18.524 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 -24.154 21.420 -11.303 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 1.847 1.175 0.590 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 9.458 -10.462 11.790 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 12.739 -2.374 0.352 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 3.669 7.369 2.005 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 -5.574 20.345 -2.156 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 15.931 9.232 -0.094 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 0.567 0.343 3.421 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 -3.692 -2.950 -1.009 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 -1.237 3.184 -18.065 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 -1.932 -4.099 -1.336 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 -14.550 4.119 -7.156 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 -2.054 12.455 -3.707 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 -4.190 4.889 4.124 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 7.112 -16.070 14.437 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 -11.814 33.776 -24.219 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 2.427 -3.005 3.920 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 1.222 -13.535 -4.912 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 11.207 8.923 -7.106 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 1.052 2.334 1.065 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 25.662 -3.497 -1.215 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 -7.247 6.114 29.423 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 -0.086 1.260 -2.994 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 21.467 -6.609 -28.790 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 1.547 3.955 27.342 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 -3.334 9.027 -2.123 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 -7.794 36.994 28.131 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 2.746 -4.997 -9.299 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 -2.456 -0.875 -6.470 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 2.901 31.105 -10.466 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 -13.047 -12.036 14.911 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 -4.294 -0.923 0.889 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 -5.111 24.362 10.989 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 24.237 -15.956 25.317 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 -2.374 4.297 -1.109 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 11.829 -9.899 7.107 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 0.867 19.621 3.896 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 -2.941 0.886 2.528 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 -2.834 28.062 -0.869 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 -5.762 -7.962 4.962 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 1.669 5.157 -5.667 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 -2.237 6.622 -3.330 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 -5.382 9.921 -4.583 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 -5.716 2.374 -0.056 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 -9.905 -21.636 3.938 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 9.548 -2.316 -8.572 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 -1.900 -2.229 2.211 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 -0.551 -27.934 11.954 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 -0.124 10.273 4.077 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 -5.818 -1.638 3.186 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 -17.343 -7.946 -1.485 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 -11.367 -5.436 -7.592 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 -2.885 0.998 -3.244 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 -0.361 3.556 9.840 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 -19.276 -7.295 -27.329 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 -7.391 5.183 -0.488 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 -18.856 4.799 -8.349 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 -6.677 9.522 -3.376 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 6.802 1.724 1.028 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 7.985 -6.476 -13.242 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 -1.772 -0.693 3.659 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 -1.392 -0.884 -1.439 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 -5.730 -4.151 4.752 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 -3.641 7.064 -2.823 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 -6.563 -3.693 -1.471 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 -6.214 -12.462 2.767 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 -6.499 7.794 -9.753 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 -2.217 -6.332 -2.683 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 5.783 -18.452 -12.668 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 -15.961 4.165 -12.216 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 -1.467 -0.282 -12.305 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 -1.877 -10.880 -6.574 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 9.163 -2.167 -8.767 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 5.543 1.869 1.802 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 13.458 -0.395 4.687 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 -9.628 2.514 -5.261 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 0.335 0.926 4.956 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 -14.405 26.459 7.142 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 -23.247 -19.427 8.488 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 8.061 2.113 10.569 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 17.850 2.619 1.820 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 -4.551 -3.053 7.500 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 6.408 -4.974 3.945 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 -5.389 0.992 -7.116 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 16.352 -11.838 15.011 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 2.833 4.069 -0.510 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 -0.299 5.307 -8.982 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 7.589 -0.987 -8.903 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 -0.222 -11.209 -1.822 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 -10.837 -15.782 6.858 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 -33.678 17.882 0.775 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 1.845 9.288 -0.999 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 6.875 18.010 9.535 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 6.003 9.381 -16.287 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 2.125 -1.323 -2.418 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 6.026 4.223 2.525 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 -1.257 -3.422 -5.388 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 2.328 -0.869 -3.002 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 -13.093 13.781 -8.213 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 7.287 10.298 2.577 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 5.783 -6.583 2.130 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 6.155 -4.651 -5.283 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 12.409 -15.130 27.321 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 -5.215 -3.805 -0.911 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 -27.893 -12.228 -4.205 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 4.191 -10.026 -2.766 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 -1.067 4.012 6.432 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 2.216 13.308 10.204 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 -3.109 2.574 11.342 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 2.193 -4.967 -0.216 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 1.976 -11.322 17.823 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 -5.463 -2.871 -1.724 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 0.337 -3.735 -0.740 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 0.380 -3.861 -2.115 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 12.372 2.611 -3.758 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 -2.134 -8.397 -2.973 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 0.529 -9.665 8.413 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 -8.226 1.409 15.619 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 -0.834 2.722 1.274 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 0.563 1.790 -0.346 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 8.395 -1.021 2.465 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 -4.374 2.947 -0.892 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 -19.699 -0.247 6.215 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 -19.059 0.286 5.617 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 -8.000 0.943 -1.633 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 -31.119 -0.147 4.247 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 17.278 -1.107 17.175 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 2.217 6.014 -1.026 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 6.635 -7.955 7.994 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 9.200 -0.341 20.391 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 -4.074 -0.153 2.522 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 -4.817 -1.775 -0.734 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 -2.440 -11.939 -7.933 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 2.296 4.682 -2.236 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 -0.039 -1.386 -1.503 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 -1.183 -6.171 -0.790 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 -0.707 -0.317 -6.201 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 20.765 16.917 16.300 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 1.609 5.064 -1.517 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 -6.251 5.376 -0.472 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 -12.185 -3.768 8.815 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 9.206 10.123 -4.855 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 2.741 5.995 8.412 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 -2.802 3.305 0.323 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 -1.052 5.708 2.506 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 -2.794 -2.499 5.105 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 -3.771 -1.461 22.948 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 -2.510 -24.257 -6.252 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 1.473 -0.058 4.095 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 -4.555 -7.978 10.568 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 6.954 -0.943 7.063 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 -1.583 -0.743 3.322 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 -0.169 5.672 12.562 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 -9.246 -1.124 4.602 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 2.237 3.214 1.264 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 -9.193 8.017 13.350 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 3.081 -0.911 -4.155 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 1.656 -0.526 0.373 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 20.624 9.963 -13.261 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 -2.897 -5.984 5.339 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 4.601 -1.864 -0.810 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 12.411 40.272 1.322 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 11.634 9.430 -2.984 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 8.269 0.228 0.009 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 -2.012 -15.442 -27.263 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 8.923 -8.234 -22.113 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 -6.375 2.088 0.940 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 7.759 3.453 29.713 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 9.807 27.052 -2.729 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 -2.529 1.641 -3.371 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 -3.604 8.240 -12.281 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 -1.999 0.696 -17.497 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 2.251 -5.123 -2.909 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 -2.071 -6.340 -0.939 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 -25.793 -4.048 19.725 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 0.218 -5.674 1.399 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 -2.899 8.569 14.717 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 8.779 -33.384 -1.895 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 0.847 -3.966 -2.163 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 19.102 14.848 9.651 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 -30.073 -5.610 10.128 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 6.235 -2.071 -0.464 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 -16.952 3.665 7.853 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 12.678 0.571 15.051 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 10.028 -3.530 0.450 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 1.348 -3.129 12.720 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 11.138 4.941 9.332 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 2.432 7.222 -5.851 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 8.069 14.021 7.434 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 -3.948 -15.391 8.894 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 -1.180 -2.993 -6.723 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 -8.793 -4.868 0.331 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 12.373 -11.099 -5.069 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 -3.700 -2.999 4.706 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 -11.557 17.960 -5.216 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 8.862 -24.004 -3.089 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 9.847 4.913 -3.652 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 -1.291 5.384 -12.316 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 12.250 2.566 -7.678 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 -3.596 -6.753 -0.726 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 7.272 -4.413 -15.911 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 -2.275 -7.607 -2.962 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 -1.788 -0.709 -5.606 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 -34.525 3.352 7.133 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 -12.773 -3.878 13.340 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 -5.367 4.412 -1.496 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 0.158 -15.285 -7.948 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 3.333 13.470 -10.840 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 -2.548 -2.259 -1.285 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 13.740 -2.471 -1.990 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 2.838 -1.255 -0.176 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 0.573 1.208 -2.977 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 -6.656 -3.239 0.831 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 -5.999 -8.566 3.788 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 -7.715 4.932 0.518 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 16.555 8.488 -17.086 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 -6.037 6.784 -10.966 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 -2.085 -1.347 -3.474 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 -2.547 -0.537 -13.943 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 -1.727 -2.758 -8.421 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 2.481 -4.440 6.747 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 1.885 0.236 13.271 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 2.327 -12.033 -1.431 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 -4.678 -7.868 3.316 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 -20.760 -16.878 -3.415 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 12.163 -5.576 -9.036 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 -2.137 -2.391 1.132 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 9.747 7.509 4.542 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 -11.652 2.086 10.426 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 -2.865 0.561 0.849 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 -13.434 -3.317 -2.896 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 -0.150 11.331 16.564 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 -4.168 -2.576 -3.804 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 -11.453 -8.639 1.395 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 10.664 -5.901 -11.138 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 -3.975 -1.038 -0.879 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 13.587 2.490 4.540 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 -6.995 12.739 7.337 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 4.023 -1.114 -5.116 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 14.686 -25.406 2.725 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 28.071 -4.176 -13.506 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 3.687 -2.000 -3.404 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 -1.656 9.382 2.199 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 8.071 -10.486 7.974 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 -4.782 -1.414 -2.720 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 -16.032 -3.907 -12.102 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 -0.909 8.044 6.908 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 -0.555 -1.838 2.417 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 -9.246 6.142 -0.466 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 -10.525 4.187 -15.868 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 5.457 -4.601 0.349 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 -0.862 17.763 25.001 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 4.503 -4.122 -13.373 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 5.066 -4.136 1.560 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 14.409 22.620 4.867 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 -7.886 -2.908 -18.390 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 0.440 -9.615 -3.192 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 -18.479 -3.811 6.583 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 -12.267 -9.883 2.810 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 1.291 -2.173 3.966 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 6.932 0.362 -1.695 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 6.141 -6.755 2.422 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 -3.211 -1.814 -1.697 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 -2.444 -18.733 -3.104 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 -6.875 -10.306 0.764 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 4.991 -7.051 0.150 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 13.943 -11.814 4.972 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 -5.534 -5.383 -3.418 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 0.161 6.192 -2.138 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 -4.631 11.284 -3.363 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 -14.029 11.840 2.130 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 0.221 2.990 -2.292 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 -3.294 19.944 4.328 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 -13.042 -1.419 -17.442 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 -4.232 1.483 1.816 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 0.497 -0.864 -4.691 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 -2.156 1.702 7.551 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 0.107 -5.176 0.916 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 5.002 -8.642 -7.845 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 -4.740 -19.004 21.665 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 7.872 4.334 -0.621 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 7.004 4.015 0.405 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 12.667 3.627 -7.145 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 7.612 0.802 6.478 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 4.134 0.331 3.534 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 11.024 -2.026 5.664 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 3.074 -1.984 -10.644 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 10.022 15.960 24.463 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 2.665 -11.706 -14.831 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 -2.550 1.388 -4.693 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 -10.646 14.570 20.399 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 -11.368 13.122 -27.809 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 0.662 -2.426 -0.826 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 5.048 -1.076 0.973 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 -7.279 -9.437 -9.657 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 -3.307 -3.888 -0.257 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 6.137 23.389 22.568 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 -5.944 -16.639 -6.585 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 7.309 -3.472 -2.905 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 8.994 -3.007 9.197 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 3.186 -7.425 1.485 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 2.905 0.428 2.252 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 -1.794 -0.344 0.116 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 -10.460 18.795 -18.654 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 3.592 4.099 4.011 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 -4.373 -20.125 14.887 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 27.663 12.116 24.056 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 -1.489 5.412 -3.115 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 16.278 -20.954 3.192 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 -16.992 11.110 -8.813 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 -2.665 -1.701 -2.241 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 7.278 -12.853 -6.712 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 11.107 -14.213 20.017 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 -1.779 2.214 3.946 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 6.872 -28.530 -15.825 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 1.549 29.166 34.161 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 3.203 -2.938 -2.677 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 3.371 1.028 8.126 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 26.645 -0.711 14.102 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 1.849 -1.531 3.119 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 -12.374 -10.092 0.482 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 -25.793 -27.399 -5.078 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 1.699 1.578 8.660 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 -0.149 3.135 7.793 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 8.304 -8.351 -9.699 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 -2.968 1.062 -2.010 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 -19.269 -14.891 8.910 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 -5.365 -6.890 17.848 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 1.021 0.022 -0.280 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 -15.773 -17.754 -8.481 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 -14.413 -3.060 -13.427 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 -6.439 3.700 0.155 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 -13.100 2.196 9.741 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 4.489 3.937 -18.297 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 -2.268 1.218 -0.876 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 -14.322 -0.296 -40.099 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 1.809 7.860 -6.627 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 -4.712 -1.565 2.173 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 -6.739 -19.938 -3.678 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 -4.438 -19.476 -6.801 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 -0.132 -1.302 0.663 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 -5.741 4.828 3.749 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 13.601 -1.754 6.382 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 -4.165 1.211 0.917 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 10.335 3.789 -4.717 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 5.376 -10.454 12.308 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 -0.530 1.286 -2.777 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 -3.314 -9.084 18.207 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 1.197 -1.990 2.916 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 7.143 1.603 -3.383 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 9.484 0.622 -34.727 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 -8.283 -4.042 -9.437 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 3.729 -0.394 -7.367 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 5.001 2.254 6.908 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 -1.435 -6.287 -8.452 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 0.108 3.659 2.817 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 -4.215 -7.713 -4.547 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 6.594 14.804 16.995 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 3.838 2.508 -2.895 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 1.033 11.391 5.736 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 3.302 -7.028 -8.444 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 3.605 -2.299 0.242 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 7.670 -8.157 7.165 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 -9.216 7.764 -4.758 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 1.630 -1.532 2.618 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 -3.539 -0.783 14.935 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 6.801 7.761 -4.346 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 -5.009 -0.262 -1.729 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 4.322 -7.386 8.741 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 -15.962 -3.102 4.318 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 0.565 -4.980 -2.332 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 7.039 -0.945 -7.756 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 -23.949 11.773 -23.062 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 4.055 -1.218 -0.126 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 10.952 15.002 -11.062 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 -7.978 8.442 20.137 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 2.869 -10.246 -2.179 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 13.429 -0.524 22.000 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 3.517 -8.554 -1.273 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 2.485 -0.491 -0.291 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 -16.354 12.230 0.255 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 16.464 -5.993 14.234 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 2.859 1.110 3.672 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 4.983 -4.694 -3.514 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 7.271 9.487 0.271 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 4.197 5.478 5.159 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 12.939 4.524 3.903 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 0.177 6.162 5.122 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 -5.068 3.385 1.886 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 10.448 9.178 14.197 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 1.934 7.622 1.699 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 -1.160 -2.613 -4.398 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 2.984 -14.084 -21.370 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 0.799 -20.968 -13.315 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 -3.333 1.705 1.812 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 -8.740 7.006 -12.461 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 -5.580 4.687 4.445 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 6.556 -3.457 -3.365 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 10.266 -10.564 -6.497 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 -3.524 -2.787 -12.884 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 0.857 -1.214 5.944 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 22.678 3.029 -2.064 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 -14.422 6.873 -11.996 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 7.867 4.884 -4.584 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 1.969 -3.414 3.706 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 -12.799 7.936 0.486 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 4.042 -10.155 1.621 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 19.957 -10.735 8.468 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 -1.188 -5.352 -16.543 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 2.873 3.262 -1.394 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 5.753 12.218 -7.558 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 -5.758 -21.408 14.265 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 -1.265 4.572 -4.216 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 5.893 -3.216 -4.808 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 -3.378 10.201 -2.486 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 0.088 -1.513 -0.970 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 8.367 -1.120 3.570 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 -10.160 7.274 3.328 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 0.633 0.348 3.724 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 0.549 -2.151 3.271 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 -0.341 -7.140 4.326 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 1.363 -2.484 1.227 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 3.903 -3.450 8.207 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 -16.753 10.820 6.828 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 -0.819 -3.522 -4.222 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 -1.137 0.969 -1.208 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 25.349 27.861 4.397 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 4.095 0.475 0.487 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 -2.654 -38.217 19.260 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 20.883 -29.819 -9.171 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 1.040 -2.960 -2.119 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 -3.937 -1.908 -0.984 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 -4.646 -1.124 2.201 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 -5.311 -5.009 -1.352 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 -3.008 -4.943 -0.915 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 -7.674 -0.984 -2.436 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 -5.951 3.239 3.075 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 -6.149 3.498 -0.737 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 -5.548 3.001 11.071 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 -2.355 3.669 -3.483 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 -7.655 20.626 -11.428 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 0.023 -2.617 -3.284 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 7.757 1.983 2.173 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 21.258 2.186 -3.550 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 -13.274 0.191 7.573 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 0.046 10.706 -6.583 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 -6.708 19.093 -0.411 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 -2.807 20.237 -6.749 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 2.750 -7.180 -5.742 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 11.476 -6.537 -2.070 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 -11.963 9.882 14.450 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 -3.813 2.071 5.219 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 -22.938 7.195 4.141 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 6.057 12.587 -1.234 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 -2.482 -0.578 3.223 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 -12.743 -23.290 11.056 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 24.019 2.141 10.676 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 -2.650 -0.243 -1.574 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 5.373 13.696 -19.847 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 -14.331 5.146 0.505 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 3.021 -0.715 -2.157 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 -4.681 9.230 8.737 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 2.683 5.451 7.472 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 4.573 -4.106 4.619 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 -2.410 -9.028 1.329 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 11.558 -16.275 1.860 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 5.157 -3.786 3.283 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 -11.695 -13.865 2.326 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 5.731 0.038 11.880 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 4.622 -3.437 -0.447 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 1.520 8.469 -1.395 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 4.951 2.559 -10.460 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 2.626 -3.725 -8.035 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 2.098 -1.537 -8.328 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 -7.641 1.360 1.285 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 1.700 10.184 -2.639 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 1.194 -22.251 -9.231 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 2.041 7.912 -2.735 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 3.636 0.258 4.296 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 10.678 24.214 3.590 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 7.359 6.930 1.238 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 0.895 -0.200 -5.478 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 -15.332 9.722 4.601 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 -13.500 -1.071 -1.725 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 -3.663 6.798 2.127 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 20.011 -18.234 15.844 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 -12.658 -3.624 -6.618 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 -2.650 -4.078 8.307 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 -18.075 0.333 2.355 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 1.743 -11.802 12.983 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 2.691 2.043 -8.079 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 3.768 10.235 17.183 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 14.804 24.402 -13.703 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 -3.537 3.672 -1.516 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 -0.389 -16.274 25.602 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 -20.251 -17.287 -2.553 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 -6.552 3.260 -2.720 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 17.762 -18.101 -12.141 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 14.111 2.235 -21.520 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 -0.505 1.574 -0.153 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 -10.040 -10.152 -18.780 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 -1.277 -0.808 -2.917 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 0.258 -1.130 0.644 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 11.596 7.023 -29.553 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 -20.224 10.580 -8.629 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 -0.969 -3.611 -0.495 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 19.769 -9.246 12.688 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 -3.821 -3.176 16.144 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 5.681 -7.321 -5.371 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 -19.383 8.919 1.689 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 7.033 -10.066 -14.067 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 -1.714 4.235 1.427 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 2.453 2.263 -2.429 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 -6.991 -15.405 -23.760 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 4.596 -2.358 -5.791 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 -10.196 -2.685 -13.200 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 5.383 -5.629 12.204 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 5.323 9.784 -0.929 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 13.476 10.925 14.280 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 7.360 -6.620 -4.184 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 -5.109 0.681 -5.956 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 -20.096 12.871 -0.214 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 -3.512 -5.562 9.484 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 -1.950 1.008 -2.371 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 1.961 -13.012 -1.853 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 2.077 -3.795 -4.651 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 -2.810 2.021 0.900 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 12.170 -7.796 -2.332 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 2.059 -2.685 8.544 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 -0.796 5.863 1.807 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 -10.083 13.959 -16.157 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 -8.181 -8.607 18.077 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 2.716 0.853 -2.365 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 1.919 10.070 -2.323 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 -2.822 -13.742 4.121 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 6.794 -2.105 2.328 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 25.956 14.539 7.062 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 6.357 27.894 -9.103 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 2.012 -6.087 0.750 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 -3.004 10.966 16.932 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 11.729 -6.468 -9.948 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 -8.694 4.563 -1.379 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 16.511 -3.498 -4.111 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 -12.512 6.501 -19.041 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 -0.543 7.510 -1.008 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 -10.073 0.822 -8.210 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 5.561 -1.821 -27.890 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 -0.999 0.735 -6.793 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 -24.738 -1.858 19.247 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 -11.334 -22.033 -14.517 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 -2.693 -1.445 -3.912 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 -22.444 -6.256 -5.636 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 5.278 -0.313 -8.342 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 0.402 4.117 -3.071 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 -7.369 7.198 -13.196 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 33.886 -8.297 5.312 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 2.662 -0.508 -2.063 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 -7.486 -9.202 -17.666 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 0.826 6.561 -5.279 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 6.132 -1.882 5.792 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 -3.387 5.960 11.763 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 0.847 2.049 5.549 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 4.712 -0.442 3.414 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 3.889 -1.362 2.527 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 0.386 10.115 -9.289 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 -2.647 4.364 3.165 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 -5.545 -24.665 1.866 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 -8.228 18.818 7.094 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 4.112 3.121 -1.374 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 22.601 25.240 -7.488 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 10.331 -9.151 -4.261 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 0.434 4.659 2.199 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 13.795 5.431 5.853 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 -4.302 -9.726 -4.686 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 -0.402 -2.131 -0.194 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 -9.532 2.684 -15.108 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 5.521 5.428 -2.072 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 1.949 0.168 -1.306 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 5.027 6.637 -8.344 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 -15.002 4.276 8.453 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 -4.220 3.640 -0.638 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 -1.988 -6.125 0.361 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 5.793 14.530 5.813 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 2.788 -5.148 -5.460 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 12.297 -6.764 -10.036 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 -7.367 -3.830 -0.572 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 -0.461 0.002 1.859 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 2.870 -17.351 1.350 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 -0.291 -8.830 -0.107 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 2.550 -5.311 0.462 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 -8.564 1.435 0.365 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 2.326 -10.568 -12.338 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 -4.107 -4.948 -3.107 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 9.249 8.752 -15.904 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 -10.567 4.773 18.260 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 -9.421 -2.456 -4.688 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 -17.978 14.437 1.701 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 -12.096 0.250 -21.050 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 -3.626 2.417 2.933 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 -6.291 -3.660 -0.428 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 1.545 5.280 6.890 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 -1.999 -1.990 10.604 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 -16.172 -0.160 25.850 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 -10.383 -12.089 -6.630 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 -4.410 -2.090 3.775 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 -14.648 -18.656 -4.129 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 17.387 -6.852 -2.187 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 0.639 -2.653 1.009 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 -5.300 -6.308 -11.236 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 -28.305 8.930 13.512 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 3.346 -1.093 -1.947 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 12.230 9.820 -11.218 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 10.972 14.770 -5.509 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 -0.771 -6.906 -0.242 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 -0.950 -8.916 0.491 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 4.322 -17.753 7.681 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 -1.849 0.492 -1.808 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 0.967 1.193 6.824 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 -9.548 -10.174 -23.906 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 -4.468 4.405 0.995 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 4.398 30.293 -13.877 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 2.036 -44.709 -0.087 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 6.347 4.604 5.337 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 17.561 -12.539 -17.306 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 21.798 -6.816 -14.848 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 -0.714 2.202 -0.734 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 1.919 -8.583 -11.214 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 13.057 -14.724 -16.504 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 5.368 -2.132 -6.439 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 -8.994 -7.126 7.825 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 -0.785 -1.829 4.463 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 -7.873 6.296 -1.296 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 -13.912 -17.427 -2.515 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 16.241 0.662 27.203 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 2.555 6.572 -3.270 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 -1.435 -14.622 -13.688 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 26.754 2.456 -23.390 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 6.579 3.769 -5.845 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 -5.729 -9.396 -12.445 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 10.129 5.817 22.429 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 4.359 -4.682 4.724 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 -12.777 -7.391 -14.996 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 17.018 -1.322 15.081 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 -1.561 -2.019 -3.176 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 -4.373 9.870 5.960 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 6.439 -20.455 -18.721 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 1.421 -1.478 1.702 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 -15.391 -1.086 17.288 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 -2.694 15.258 -0.987 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 2.966 -5.019 -3.284 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 15.094 -4.940 -6.715 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 4.953 -7.217 -6.012 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 0.155 1.713 2.804 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 -35.709 0.666 -6.497 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 5.485 0.188 4.050 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 -0.585 0.896 0.513 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 -5.022 14.616 0.111 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 -1.167 -5.515 8.262 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 4.597 1.133 -2.232 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 1.337 3.809 -4.029 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 -2.005 6.928 -5.565 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 -3.220 1.087 -2.241 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 -11.023 11.076 16.590 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 -15.165 2.468 -1.655 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 4.240 -0.444 -3.909 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 -23.377 -13.233 6.788 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 14.652 14.360 -2.927 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 -5.442 1.557 -0.841 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 -0.101 -11.589 -18.267 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 4.576 16.706 14.985 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 3.920 1.017 1.310 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 6.737 8.868 1.003 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 18.847 -15.390 16.125 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -4.866 0.520 6.396 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 5.333 10.569 -2.855 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 -11.053 -25.455 -3.951 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 -1.560 1.985 -4.908 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 -14.447 -4.741 3.264 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 -0.125 -2.369 -10.279 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 -4.087 -3.076 0.123 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 0.598 -11.525 -11.934 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 2.864 -8.315 -6.773 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 2.859 -1.805 -4.562 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 3.710 1.017 -0.543 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 2.365 -4.469 -11.057 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 4.058 7.123 -6.826 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 7.461 13.737 5.325 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 24.476 1.763 -6.094 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 1.701 2.957 1.232 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 -6.580 -1.147 1.307 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 -1.274 18.228 -7.473 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 3.533 4.680 6.740 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 -3.167 21.920 -10.515 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 -11.491 -15.872 0.157 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 -0.979 -0.170 -6.527 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 4.284 0.226 -11.708 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 10.270 0.488 -17.503 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 6.768 7.618 -5.201 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 10.145 9.884 8.173 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 19.147 3.384 -4.422 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 -1.032 -0.147 -2.758 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 8.130 4.688 1.001 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 -3.637 1.525 -1.683 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 -5.833 -3.453 -1.350 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 16.472 12.070 0.266 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 -6.170 -3.616 -1.177 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 -7.988 2.964 -4.198 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 -2.588 -7.382 -11.358 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 12.303 -9.299 -12.180 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 0.851 0.634 -1.225 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 0.247 5.198 -0.096 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 2.520 2.624 -5.375 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 -0.561 2.936 -0.665 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 -6.001 6.326 -15.785 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 -5.579 -11.567 -11.572 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 -1.399 6.412 0.239 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 15.938 -4.105 11.043 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 -15.036 -8.294 -8.356 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 4.477 0.737 -0.763 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 -2.507 -4.976 1.595 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 -10.927 7.332 -24.753 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 -1.612 0.886 -2.659 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 15.017 2.061 -8.654 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 -3.450 -1.201 15.737 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 0.785 3.705 -4.114 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 -9.083 4.537 6.464 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 2.852 7.446 -1.304 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 6.110 -3.782 -6.250 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 17.639 -2.528 -17.274 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 10.656 -17.574 -8.944 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 -6.791 -1.476 2.483 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 8.242 -4.447 6.806 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 -0.986 19.489 15.120 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 -3.053 1.301 -0.900 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 -7.361 -7.000 1.699 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 -10.111 -12.781 3.430 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 -4.773 -2.037 5.177 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 5.622 -3.785 5.790 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 -6.054 3.438 -4.246 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 -3.908 2.530 2.871 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 -11.052 -4.859 6.385 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 3.853 12.179 -1.185 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 -8.125 3.274 0.560 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 6.113 17.384 12.285 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 6.893 11.631 -9.345 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 -0.657 -0.009 2.386 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 2.031 -0.848 -6.651 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 -0.348 8.162 17.439 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 1.896 -5.357 -6.767 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 -4.370 -7.483 -1.399 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 11.574 4.757 1.694 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 0.308 1.394 -9.031 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 -15.453 5.624 -4.673 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 -8.911 1.305 1.301 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 1.136 -0.207 0.951 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 -10.533 -0.762 -1.857 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 -7.944 -12.174 -6.971 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 -1.926 -7.241 10.077 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 -6.931 -25.506 -9.492 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 -0.264 -23.130 32.235 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 -5.487 0.309 -3.696 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 -11.259 5.747 -3.580 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 1.078 2.613 -17.396 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 -0.686 4.168 2.463 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 1.112 10.565 -6.330 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 -25.262 4.042 5.637 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 -2.175 2.923 1.772 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 -0.714 5.548 17.478 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 -16.234 -1.762 1.490 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 0.557 -6.761 0.776 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 -6.828 -4.991 13.260 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 -4.510 -1.735 0.742 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 -3.625 -1.747 -3.785 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 -9.771 5.080 12.284 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 15.185 -1.115 -2.762 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 6.460 3.294 0.630 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 -4.432 10.749 5.127 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 10.966 5.773 10.451 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 -1.250 0.603 5.876 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 5.167 -8.509 8.650 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 -13.316 -1.220 13.419 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 -0.321 -4.940 2.795 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 8.178 -8.323 -11.849 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 2.973 -15.671 18.589 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 -0.096 -0.753 1.582 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 -5.930 -15.046 -7.482 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 8.102 -1.058 -25.987 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 -3.328 -2.994 -1.233 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 -6.258 0.704 0.931 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 -6.744 -2.046 1.573 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 -0.604 3.275 -2.780 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 -0.122 5.842 -2.668 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 1.710 2.473 -3.078 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 2.185 -1.220 0.967 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 -3.972 11.869 -10.712 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 -0.319 5.846 10.457 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 -2.232 -2.641 3.440 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 -20.451 7.743 2.874 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 9.161 -30.376 -1.504 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 1.623 0.013 -2.448 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 -19.040 9.190 8.888 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 13.770 14.656 8.300 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 2.620 -6.511 -2.947 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 -3.871 -2.538 -5.022 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 8.336 -2.615 -9.468 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 3.236 -2.555 -6.005 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 0.742 -7.915 -10.930 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 -0.812 11.099 4.595 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 -1.230 5.246 -6.585 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 -0.963 8.802 -7.528 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 -1.151 10.180 -3.141 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 2.215 2.341 1.092 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 16.197 4.902 13.635 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 7.286 -28.594 3.373 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 -1.356 -2.470 -3.440 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 0.520 -5.291 -1.577 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 2.226 9.722 0.049 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 3.335 -1.088 2.218 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 3.971 13.143 30.955 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 29.651 -19.880 1.535 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 8.288 0.158 -0.364 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 4.894 -7.951 10.036 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 0.163 -13.493 2.993 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 -7.912 2.953 -3.602 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 -15.638 -7.454 16.215 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 18.724 5.549 -1.070 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 1.657 6.579 4.281 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 22.667 -0.824 22.277 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 -31.420 -8.374 31.785 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 5.066 1.409 -3.446 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 10.833 5.675 -2.555 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 -3.551 4.347 8.611 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 -3.207 -2.552 3.413 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 -20.895 -10.327 4.525 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 -20.532 -17.446 19.109 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 1.706 0.208 8.301 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 -6.361 -6.765 6.134 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 14.141 -0.369 11.502 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 0.408 6.221 -6.892 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 2.678 17.226 -10.231 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 -6.532 -21.078 8.549 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 -2.679 -1.108 -2.091 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 -1.395 -4.242 -7.926 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 10.320 6.287 11.176 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 -0.898 5.999 4.780 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 -9.146 -12.872 -2.067 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 -13.052 -16.331 -4.167 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 0.158 -3.322 -6.298 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 -8.419 -0.346 -8.374 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 -16.614 3.870 -9.768 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 4.202 -3.538 2.360 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 21.134 20.595 23.680 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 21.785 0.753 -9.481 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 -3.693 1.342 -2.994 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 -36.400 -20.381 -1.514 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 -10.792 1.656 9.034 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 6.323 8.065 5.864 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 -12.892 -8.755 -6.223 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 12.748 17.615 7.278 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 -1.139 2.883 -4.331 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 -3.355 11.736 -8.508 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 10.311 -0.614 7.081 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 -0.997 7.209 -3.771 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 -5.922 -17.063 -3.992 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 -17.731 -26.053 -0.322 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 -2.959 -1.972 0.220 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 -3.297 -4.463 -10.891 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 -1.561 5.674 10.486 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 -0.509 -5.184 -5.114 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 6.028 -8.670 11.820 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 -4.222 -3.734 -12.849 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 2.932 7.848 -3.211 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 20.793 -6.473 3.436 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 -3.357 -0.296 -7.290 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 -1.250 3.184 -4.269 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 2.995 15.159 2.924 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 -12.761 17.130 -9.482 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 -0.129 -1.831 -0.560 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 -6.406 -2.479 -0.708 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 0.998 -1.363 -1.021 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 3.549 8.383 1.007 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 6.291 17.061 12.429 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 12.692 3.318 13.024 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 -1.444 -8.053 0.579 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 -46.883 -3.629 12.778 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 8.921 17.890 -0.234 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 -2.510 -0.535 1.480 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 0.053 14.915 -6.827 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 10.859 -4.332 -0.661 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 -0.741 -3.408 0.912 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 20.959 1.946 -21.727 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 10.788 1.284 11.205 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 5.128 -4.303 -0.152 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 -3.660 -2.365 1.818 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 11.308 -3.359 -6.586 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 -0.221 3.416 -4.296 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 1.751 7.280 7.877 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 11.167 8.321 -2.783 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 1.084 -4.742 8.206 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 6.979 -13.895 9.776 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 0.332 8.782 9.905 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 8.645 -2.998 2.637 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 13.187 -5.485 10.922 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 4.045 5.095 4.685 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 -3.048 -3.632 -3.869 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 19.364 -10.385 -14.392 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 8.882 -0.804 -5.750 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 -9.377 4.863 -3.867 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 4.468 -18.758 1.154 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 -0.975 16.208 -20.117 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 0.696 1.181 -1.183 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 10.744 -15.382 -19.850 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 -5.952 4.722 0.791 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 3.668 -4.765 2.339 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 25.720 -4.898 -8.297 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 -12.579 -3.111 3.646 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 4.268 -2.104 -6.566 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 14.436 8.473 19.488 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 25.883 -16.835 -17.879 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 9.356 2.925 6.293 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 -11.079 -11.392 -6.000 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 1.255 13.468 24.048 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 1.570 3.810 5.996 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 -18.241 -4.010 20.793 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 0.126 12.082 -9.843 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 -5.803 4.613 1.773 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 -22.475 4.373 -11.427 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 -3.410 -3.898 16.424 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 -4.078 2.807 2.281 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 13.626 -5.096 18.064 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 -15.986 15.944 13.703 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 -0.024 4.132 -0.970 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 -11.533 4.918 -11.573 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 -1.377 18.044 6.621 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 -2.646 -1.077 2.176 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 -11.020 -6.047 -8.608 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 -0.533 -2.911 4.609 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 -1.004 0.431 -0.438 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 -13.821 9.102 -11.252 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 -1.723 14.951 -3.183 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 -2.078 -3.818 0.178 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 1.595 -10.342 6.728 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 -0.835 -5.760 1.803 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 0.094 4.895 -4.637 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 2.146 3.247 -6.908 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 -0.980 3.972 -4.397 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 4.235 3.359 1.409 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 -22.684 8.683 -3.405 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 21.007 -20.432 -15.320 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 -5.981 -3.731 0.761 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 -4.022 6.340 -7.327 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 -16.433 0.673 7.915 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 -0.434 1.672 1.563 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 -4.216 -0.820 -4.099 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 0.106 21.069 -8.460 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 -0.158 -2.181 0.498 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 -0.071 -1.490 -0.540 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 -5.482 -8.051 11.304 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 -2.703 6.054 1.353 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 -9.542 2.432 -6.845 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 -9.431 11.982 11.746 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 4.135 -0.090 -1.979 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 9.672 3.027 3.100 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 2.521 10.134 -3.933 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 -2.239 -0.329 0.329 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 -2.251 -8.502 -14.663 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 -2.963 -4.730 8.480 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 -3.377 4.294 -2.542 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 0.074 -0.243 6.254 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 -6.924 -1.095 -10.592 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 4.227 -1.405 9.542 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 1.635 -3.519 5.444 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 -3.524 6.636 5.948 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 0.432 -10.453 -6.107 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 -17.124 -2.014 25.910 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 -7.085 -1.195 -5.087 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 -1.449 2.334 8.041 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 -1.027 18.767 -6.418 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 29.059 -0.391 19.920 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 2.806 3.533 -2.130 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 5.872 0.677 -2.714 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 0.428 -2.593 4.681 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 3.802 -2.399 -10.418 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 8.342 1.042 -5.088 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 -4.787 4.450 36.742 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 -0.041 0.672 -8.581 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 -1.079 5.901 -18.646 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 7.251 -6.242 5.123 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 0.863 1.851 5.266 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 -7.669 -5.694 -27.765 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 2.206 -0.675 18.312 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 0.639 0.685 -0.564 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 -1.852 -4.745 -0.541 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 -6.903 -13.367 4.824 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 -0.594 -6.548 -1.628 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 -12.877 6.237 2.084 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 -16.381 -5.454 13.020 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 -2.872 0.726 -3.994 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 12.725 1.165 8.496 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 -18.483 12.146 5.217 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 1.676 -3.384 6.086 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 6.454 3.685 10.393 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 3.492 -3.580 -2.265 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 -0.304 -7.675 2.884 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 -10.244 -4.011 4.538 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 9.911 -7.018 0.838 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 1.318 3.489 -5.897 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 25.413 16.154 2.800 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 -0.833 2.431 1.415 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 -6.456 4.261 3.708 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 -1.273 2.060 -8.375 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 -5.893 -10.724 5.577 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 -1.183 1.364 0.007 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 -13.066 -17.245 12.135 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 16.894 -15.993 -13.278 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 -2.138 4.126 -3.155 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 -4.613 15.329 -2.504 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 -9.169 -8.087 -10.958 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 2.391 1.389 4.032 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 -28.151 0.863 2.312 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 -18.251 9.543 11.313 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 -2.508 1.937 -1.990 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 12.460 -4.988 -6.841 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 0.598 -0.894 1.381 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 -3.763 -2.492 -1.771 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 -0.888 -12.132 3.582 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 5.647 1.750 -5.938 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 3.053 -0.965 -2.621 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 5.341 -4.429 -1.660 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 5.525 -2.524 -1.572 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 3.366 -0.673 -6.041 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 3.217 -0.313 -3.330 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 17.622 -7.308 27.942 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 -1.122 -2.704 5.181 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 -0.800 -13.480 7.777 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 -7.249 -5.649 4.585 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 2.462 -0.834 -2.095 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 23.155 2.735 -7.523 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 -8.995 4.779 -12.003 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 0.833 3.644 -1.937 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 -8.544 9.641 -22.593 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 -3.936 -3.528 4.265 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 -0.354 4.233 -5.925 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 2.015 -1.030 -0.598 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 8.602 -14.506 9.609 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 0.516 -1.007 -3.492 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 4.182 1.183 1.573 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 17.548 -10.732 -17.287 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 -2.364 3.644 1.699 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 28.620 -15.345 -16.527 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 -14.657 -10.288 -3.944 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 -0.371 4.483 -1.140 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 -2.692 5.526 -16.351 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 8.189 18.520 -32.457 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 1.556 1.860 6.837 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 4.691 -5.845 4.787 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 -5.434 3.449 23.377 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 0.505 -2.151 -0.530 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 -2.700 12.828 -19.502 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 5.797 -5.585 -6.801 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 -1.444 -6.840 -1.732 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 -20.382 -5.402 4.571 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 24.032 -11.989 -18.581 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 -1.520 0.672 4.374 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 -2.735 1.985 5.789 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 -0.281 -14.232 4.573 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 3.375 8.208 0.193 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 3.243 11.533 -2.038 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 4.336 12.337 19.077 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 0.259 1.951 -0.400 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 -5.537 -21.846 22.243 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 -1.814 12.981 0.552 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 2.002 0.294 0.775 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 13.379 9.946 -0.843 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 5.353 -13.169 -9.120 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 -1.566 2.598 1.012 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 -4.986 -1.907 -13.640 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 -12.493 4.067 16.545 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 -0.063 0.736 1.597 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 27.027 -10.397 -26.180 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 1.346 30.368 -5.039 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 5.006 0.089 1.665 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 -16.564 2.435 1.039 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 10.341 15.464 11.922 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 4.657 -1.150 0.447 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 6.239 2.841 -1.070 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 7.126 10.850 -0.379 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 1.658 6.359 0.592 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 16.156 -6.412 3.402 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 -16.261 -14.434 3.180 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 -3.748 -5.321 1.771 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 11.495 7.255 -22.668 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 31.719 -0.732 -11.821 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 8.876 -4.114 2.375 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 32.061 -7.725 -2.951 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 -2.889 -2.372 0.352 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 -2.355 3.433 -3.518 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 -16.072 -0.302 -13.545 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 2.830 3.559 2.060 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 -2.954 0.181 0.279 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 -7.019 1.340 -1.513 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 14.171 -5.562 7.681 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 0.401 2.712 2.715 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 7.695 9.035 7.117 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 3.479 -8.225 6.208 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 2.371 4.299 3.124 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 2.229 1.747 -13.335 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 -4.609 -1.652 10.635 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 0.148 -0.337 -3.869 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 -26.401 -0.907 16.889 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 -0.555 17.619 -11.492 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 -1.318 -0.321 -2.327 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 5.786 16.374 -5.773 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 -11.806 -18.917 10.040 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 2.357 -0.691 -5.013 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 29.424 -1.772 2.119 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 27.348 -25.301 4.336 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 0.513 2.524 -3.762 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 -0.835 2.442 -6.038 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 -0.209 7.261 1.448 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 -6.178 1.420 -5.167 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 -18.158 -10.340 17.079 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 2.328 5.443 -20.842 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 4.128 -3.947 -0.168 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 5.466 9.542 -5.873 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 -4.769 -15.436 -2.995 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 6.195 0.114 5.892 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 -38.764 14.185 -15.210 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 4.476 -11.426 10.755 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 -7.827 6.933 -3.706 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 -11.315 7.371 -5.107 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 18.091 12.835 8.614 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 2.052 0.111 -0.021 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 -10.752 10.793 -15.768 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 6.429 -10.594 6.496 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 7.554 0.901 -2.725 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 -2.157 29.993 -9.953 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 -14.600 8.775 3.615 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 1.488 0.084 -1.515 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 3.373 -20.376 3.276 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 -21.266 8.880 -1.341 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 3.283 -0.604 -2.963 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 -0.266 0.974 -3.058 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 -3.011 5.593 -5.975 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 2.180 4.582 7.217 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 7.341 11.664 -0.071 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 3.142 -1.673 22.167 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 -3.450 -2.672 2.862 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 -5.761 1.754 -7.803 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 -6.314 16.062 18.563 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 -3.459 -5.232 -3.604 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 -14.983 -0.993 -15.131 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 6.894 8.869 23.741 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 1.414 0.850 4.625 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 -5.772 -6.294 6.257 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 -7.973 1.206 21.083 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 -4.681 3.632 -3.794 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 -18.796 6.188 1.267 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 3.860 -7.092 -12.134 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 -4.428 -1.387 2.000 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 6.492 -4.064 -15.078 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 -11.925 9.929 -12.528 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 -2.316 -6.108 -6.432 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 0.595 9.342 -25.746 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 -4.772 -26.393 27.967 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 4.543 0.368 4.650 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 -13.039 -30.786 8.820 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 14.595 -7.181 14.466 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 -0.895 -2.639 2.652 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 -6.514 15.763 20.578 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 -16.285 4.118 -9.166 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 -3.743 2.185 3.372 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 -6.656 -1.812 0.841 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 -4.809 1.719 8.269 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 -3.227 2.490 4.923 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 -3.124 29.326 32.718 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 -3.348 7.980 28.951 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 -0.104 3.655 0.973 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 -11.101 1.763 11.552 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 -6.013 -6.031 -4.729 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 0.485 2.608 4.597 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 0.190 1.165 3.591 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 -6.266 -6.631 -8.044 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 0.157 -0.590 -0.175 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 6.127 -5.433 -18.885 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 -3.336 -0.110 0.413 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 1.269 0.990 1.435 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 -3.273 7.879 -4.766 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 12.183 -3.593 -6.028 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 -1.726 6.910 -0.264 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 6.817 6.412 4.819 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 -8.720 -5.545 3.534 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 0.260 0.431 4.470 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 8.459 -14.684 -0.002 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 1.500 13.911 -0.937 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 1.310 -2.978 -1.566 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 -14.025 -1.446 7.434 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 7.960 -24.606 -6.050 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 0.335 -1.403 -4.282 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 10.355 -7.844 -12.400 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 -1.252 2.009 -7.448 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 -3.309 -2.299 -1.736 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 -29.811 -3.626 20.464 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 5.500 3.346 -0.028 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 6.547 6.663 -1.683 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 11.324 6.798 9.880 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 -6.055 -12.590 3.782 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 0.373 -1.348 0.438 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 -5.835 0.382 18.949 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 -8.426 9.533 -12.857 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 -1.032 -4.230 -2.344 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 -14.539 13.386 -13.375 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 -0.145 -9.314 0.931 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 -4.186 3.060 -0.022 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 1.410 12.848 6.909 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 -4.284 -1.459 -19.983 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 -4.249 -1.186 5.733 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 -6.820 -2.281 1.197 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 -4.457 -0.587 6.022 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 -5.038 -0.633 -0.341 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 -12.241 -22.813 3.403 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 -9.554 5.083 -18.702 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 -2.945 -0.914 1.627 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 2.529 -18.260 -20.706 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 -12.749 19.186 -7.221 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 2.100 -0.415 2.895 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 -7.998 6.436 -5.245 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 -2.725 -10.552 -4.187 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 3.142 -1.529 0.333 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 0.728 -10.339 -22.399 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 7.908 18.293 0.696 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 6.957 2.268 6.366 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 3.586 6.728 -3.315 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 8.225 -5.921 9.859 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 5.422 -6.074 4.349 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 -4.695 -3.071 -2.720 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 10.805 8.714 2.192 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 -1.285 -0.256 1.914 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 4.552 -1.798 -1.437 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 -5.010 4.873 -1.143 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 -1.176 -7.461 2.130 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 9.266 0.484 1.380 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 -1.853 -8.010 2.468 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 -3.539 -8.537 -0.324 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 -24.322 -4.234 7.336 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 8.570 -18.555 13.904 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 -0.260 -1.738 -0.645 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 1.138 25.144 -7.926 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 -6.706 -7.942 -8.255 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 -6.911 -6.669 3.417 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 -4.279 -8.954 -21.731 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 -14.787 -12.114 -4.784 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 -2.941 1.939 -1.670 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 -0.117 5.720 1.366 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 0.893 -1.003 -17.393 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 2.447 -9.254 3.954 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 14.462 -12.065 9.919 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 -1.151 -8.480 -20.506 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 0.547 3.874 0.826 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 -8.333 8.635 12.221 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 3.187 -6.117 -12.652 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 -5.558 -3.503 -1.764 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 19.309 7.938 26.765 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 5.016 -8.321 2.353 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 -6.137 -0.378 4.705 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 -7.804 2.289 0.746 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 -16.414 -2.118 5.106 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 -4.446 2.480 4.624 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 22.303 6.332 -4.971 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 -23.620 -0.977 10.277 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 6.295 -2.978 -1.403 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 0.964 -5.141 15.683 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 -1.587 -3.863 -8.748 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 0.815 -0.022 -2.485 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 0.067 25.588 20.275 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 18.605 8.854 2.472 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 2.881 4.197 -0.619 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 -12.367 6.952 15.023 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 -28.795 -1.489 1.668 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 -1.538 3.230 -0.005 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 -6.523 12.984 -3.761 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 1.461 16.058 5.503 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 0.063 -6.482 -1.511 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 -11.173 -0.701 -5.444 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 -2.758 -1.091 -4.239 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 5.929 -0.051 8.480 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 -13.084 9.055 -1.946 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 13.792 -0.374 -0.656 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 -2.014 -3.231 1.816 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 9.818 -15.898 9.553 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 2.679 10.538 14.880 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 -2.679 -6.811 -3.395 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 -3.822 -13.380 3.616 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 18.236 -16.124 -16.329 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 6.151 1.199 5.454 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 12.916 9.658 8.617 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 15.150 -6.593 -9.485 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 2.698 6.099 -4.519 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 9.092 14.202 -2.882 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 -10.349 -18.528 7.443 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 1.314 -2.644 1.758 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 -9.444 -7.007 3.296 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 8.253 -6.451 -0.262 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 -6.841 -1.925 4.977 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 -5.983 -16.697 -3.383 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 2.103 -1.601 -9.376 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 4.821 -2.959 -2.087 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 5.661 -3.095 -5.702 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 2.083 -8.924 0.215 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 3.800 -7.132 0.367 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 7.231 -10.097 -11.390 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 1.645 -17.948 -2.847 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 5.438 0.523 0.032 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 -3.376 -20.389 -13.293 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 -17.875 13.260 9.550 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 -0.204 -2.852 -0.122 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 -3.112 -0.554 -4.157 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 -16.211 12.309 -14.620 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 4.015 -7.984 7.170 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 5.669 -9.233 2.833 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 5.682 -4.032 -10.295 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 -2.607 2.536 0.642 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 -2.752 6.977 -16.804 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 23.016 -11.263 -13.820 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 -5.121 0.606 -1.312 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 9.592 -12.114 31.293 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 10.665 -12.077 9.654 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 4.939 -1.948 -2.596 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 -0.610 0.920 -1.454 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 8.216 2.994 2.124 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 -5.674 -3.282 -12.139 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 -9.395 7.386 -4.489 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 14.360 16.904 8.733 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 0.610 -1.468 -1.739 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 2.197 -1.803 0.441 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 21.539 -6.156 25.792 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 -0.066 -3.072 -4.767 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 10.017 -4.861 9.727 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 -6.980 4.655 -20.276 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 -7.773 -1.483 -2.134 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 -4.441 -24.928 17.562 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 5.635 4.029 1.806 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 -2.819 -1.280 4.576 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 -10.990 -0.935 18.238 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 -8.820 -1.254 11.537 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 3.796 -1.024 -3.759 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 15.220 -18.144 6.750 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 -0.355 19.426 3.994 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 -0.960 -2.456 -0.556 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 7.235 -7.194 20.401 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 -3.633 -3.189 -10.976 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 -0.838 -2.363 2.730 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 -8.008 11.844 7.366 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 -2.939 -8.363 -0.267 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 8.322 -0.614 7.445 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 5.694 10.696 -1.586 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 6.904 7.510 18.049 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 -4.774 1.160 2.616 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 7.558 7.727 -1.347 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 -7.814 16.040 -8.218 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 3.085 -0.170 -1.600 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 21.745 1.685 25.492 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 16.013 -3.720 15.587 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 -0.295 -1.712 -0.064 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 -3.228 1.016 1.453 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 -1.194 -1.962 8.535 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 2.162 3.001 2.106 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 -8.271 -18.371 11.130 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 3.098 12.218 4.399 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 -0.708 -3.494 -6.209 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 -1.109 -15.890 -2.598 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 -8.007 -16.597 -8.684 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 -6.601 2.848 4.572 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 3.571 9.589 -10.598 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 -3.109 10.468 -7.232 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 -2.793 -6.688 -1.681 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 17.206 -3.896 -4.014 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 -23.550 -10.676 5.576 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 4.271 3.864 0.865 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 19.791 -3.432 -5.187 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 4.723 4.181 0.406 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 5.851 1.965 -3.798 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 0.712 25.904 -21.341 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 -16.826 -14.499 -6.794 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 0.444 5.989 0.549 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 1.601 -2.087 -13.932 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 0.430 -2.447 -12.109 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 3.227 0.352 -5.107 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 5.616 6.752 2.837 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 3.933 -2.474 -17.296 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 -9.260 6.497 0.681 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 -20.857 7.064 9.337 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 2.005 6.530 -6.934 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 -1.345 -5.942 -9.070 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 -24.844 -20.012 -7.269 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 30.512 5.184 -2.166 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 -1.598 -0.572 -4.205 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 27.891 8.264 5.595 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 5.765 -11.946 -27.553 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 0.457 -7.105 -2.755 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 -10.879 -13.787 3.723 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 31.225 5.836 -6.753 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 -2.592 -2.825 1.671 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 8.264 -16.404 -3.145 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 -3.243 -16.507 21.172 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 2.817 1.380 2.231 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 -20.248 5.731 14.968 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 -3.702 19.826 6.240 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 -1.306 3.622 -0.082 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 11.054 -4.905 -8.949 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 15.233 9.739 -3.390 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 -3.743 -1.753 -1.794 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 -6.813 -5.053 -0.393 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 1.271 5.634 7.201 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 4.388 -0.023 0.718 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 -0.175 -18.366 -5.979 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 6.999 -3.235 1.413 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 -3.435 -6.992 3.470 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 -13.725 -5.184 11.519 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 9.737 -27.255 7.627 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 1.296 -1.358 4.416 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 -0.031 -4.933 1.544 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 2.840 4.428 11.063 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 -0.481 2.834 3.591 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 -25.181 2.513 -1.035 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 -4.041 -1.279 -3.915 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 2.160 1.153 2.079 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 -15.339 3.182 -12.477 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 -13.666 -7.605 -15.025 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 -2.524 4.734 0.096 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 -6.484 -22.081 11.826 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 -2.587 -7.914 6.611 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 -0.517 -2.280 0.985 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 -6.291 -6.807 15.604 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 -1.822 0.568 -0.156 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 -1.886 -3.987 -1.790 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 -13.203 -0.851 1.132 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 6.452 -5.212 6.705 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 4.960 7.825 -1.359 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 5.012 6.786 27.386 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 -1.915 -19.747 -13.210 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 -6.526 -5.647 1.000 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 19.826 -7.909 -2.238 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 -11.314 -7.016 0.356 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 1.403 3.139 5.813 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 0.673 4.423 7.369 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 2.486 -9.421 4.612 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 -2.126 2.247 -4.326 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 -12.536 -12.013 -17.152 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 1.922 19.910 -0.602 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 4.040 -3.789 -1.342 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 5.765 -7.305 -1.191 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 -5.723 12.017 0.473 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 5.724 0.406 2.852 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 4.609 7.590 13.824 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 -6.139 -11.010 -18.261 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 -3.626 2.463 5.784 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 3.817 -10.004 -27.164 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 13.987 17.656 0.710 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 -1.389 -3.991 -4.615 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 27.731 26.487 -5.816 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 3.131 -5.344 22.017 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -6.958 1.511 5.317 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 -18.830 14.361 -2.774 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 -19.038 -11.758 13.888 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 4.321 0.747 -0.985 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 4.856 14.639 -9.249 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 -29.673 1.027 0.206 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 -2.938 -4.312 3.372 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 9.173 -7.788 15.036 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 1.886 -0.505 -0.842 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 1.093 4.339 -0.804 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 24.088 -22.385 -1.923 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 -8.721 15.339 0.025 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 -4.187 5.776 -9.136 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 13.662 -7.039 -26.878 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 -17.755 4.671 -0.742 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 2.487 -0.755 -0.490 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 18.028 -11.250 3.110 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 12.086 15.102 -4.994 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 -0.925 2.704 0.472 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 -11.667 6.894 -12.606 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 12.082 6.802 22.642 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 -1.330 -2.892 2.803 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 14.408 0.122 -7.280 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 17.276 -4.128 2.048 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 1.995 -7.372 1.675 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 7.645 -14.907 14.668 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 0.450 17.325 -1.741 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 -4.231 0.028 -6.534 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 -5.261 -4.606 18.572 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 -2.416 -29.737 15.989 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 -2.578 -5.539 4.912 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 -21.367 9.605 -8.950 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 -12.104 15.605 11.974 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 -10.623 7.235 1.751 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 -7.601 9.340 2.863 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 -15.435 17.241 -4.597 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 5.564 -1.448 1.083 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 5.780 18.731 19.621 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 6.238 -21.464 24.076 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 -0.339 2.582 2.566 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 4.529 -0.495 4.216 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 -6.449 -20.429 -36.869 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 -1.139 -6.432 7.426 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 -16.001 -19.218 3.973 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 8.276 9.055 9.217 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 3.794 -2.270 -3.780 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 -23.682 21.154 -23.825 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 3.116 -15.307 24.311 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 5.058 -6.636 -1.888 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 1.341 0.867 -3.782 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 5.042 -6.606 -11.366 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 1.387 4.005 -1.968 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 -3.961 -1.708 -35.167 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 -4.027 3.773 0.411 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 -1.235 -4.059 3.347 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 -6.357 1.157 -14.453 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 -12.763 -10.217 10.913 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 -0.363 7.248 2.813 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 28.366 7.596 -2.783 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 -5.600 6.176 14.621 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 6.097 1.565 2.652 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 6.821 18.327 -12.157 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 -6.565 -9.039 -8.784 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 5.452 -1.168 -6.909 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 18.559 3.222 -6.232 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 6.609 0.714 -5.153 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 -0.736 4.198 -3.443 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 12.111 -10.948 -4.271 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 9.546 -8.883 -2.606 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 -6.597 -2.251 -0.063 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 -14.353 -0.286 -2.734 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 -17.001 -4.171 3.394 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 -3.832 1.008 0.054 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 -2.872 15.076 -19.280 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 8.754 -18.834 -5.034 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 1.930 1.359 0.644 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 -8.441 -9.449 4.259 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 -12.247 15.374 7.738 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 -3.552 0.805 -4.828 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 -2.583 9.173 6.871 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 -1.964 4.881 -4.237 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 -1.036 0.377 -0.019 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 -5.565 -2.904 23.967 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 -8.314 10.505 -15.068 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 3.686 -0.325 -6.509 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 -14.955 -8.281 -2.002 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 19.713 10.601 15.845 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 2.599 3.366 3.806 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 9.029 -16.099 4.776 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 -0.361 6.767 -2.077 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 0.878 4.891 0.699 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 -16.244 15.337 -8.560 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 -10.838 -14.461 -4.593 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 -4.535 3.127 0.062 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 8.469 3.938 8.934 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 -8.266 12.360 -9.330 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 6.881 -2.199 3.325 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 29.029 14.245 -15.310 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 -9.526 9.014 8.768 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 2.896 -2.279 2.123 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 9.782 16.213 3.014 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 6.679 -2.474 11.970 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 3.530 -4.652 -3.097 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 14.105 6.869 -6.419 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 -10.493 8.726 -11.452 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 -2.603 -1.935 -8.057 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 -18.091 9.599 2.762 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 35.618 11.981 25.896 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 5.884 1.896 4.879 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 -1.275 3.245 17.706 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 4.850 -14.343 -0.886 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 -5.098 0.164 0.413 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 -2.663 35.933 2.131 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 -4.445 -14.385 -3.864 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 3.132 2.801 3.762 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 -21.522 -15.582 -14.815 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 -7.021 3.675 0.089 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 -3.338 9.128 -1.525 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 -16.397 -14.460 -9.987 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 -27.726 0.677 8.431 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 -3.842 -3.843 4.014 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 -4.353 1.788 6.448 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 -3.763 -2.702 -0.839 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 -0.292 2.803 3.165 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 -0.395 1.462 3.926 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 1.316 6.400 -1.133 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 7.624 -0.022 0.848 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 9.590 -5.463 -18.399 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 3.401 -9.664 14.060 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 8.857 -2.939 -0.822 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 -19.206 5.132 13.427 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 -18.555 -16.791 27.323 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 0.737 -5.566 0.388 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 -9.483 -2.197 -7.715 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 -8.996 -2.958 17.886 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 -3.197 -3.295 -3.657 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 -12.118 -6.369 -22.477 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 -1.174 -6.194 -9.473 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 -1.659 -7.537 -4.534 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 -2.598 12.309 -15.803 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 -0.922 -3.609 -1.623 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 -4.204 1.108 -2.482 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 17.460 2.719 -1.106 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 -17.434 4.184 8.644 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 0.213 -2.297 -0.467 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 -12.636 16.264 4.556 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 -9.330 0.048 -28.822 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 9.042 -5.249 -0.920 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 2.387 24.129 -12.623 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 19.548 -0.247 29.485 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 -3.717 -1.206 -7.518 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 -34.240 -14.853 4.825 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 6.245 1.635 -10.369 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 -1.629 -6.862 1.588 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 17.256 -2.035 3.587 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 -3.399 -12.792 -17.845 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 1.936 -0.747 -0.850 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 19.076 18.744 -4.962 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 4.602 -2.593 -1.820 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 -0.388 1.502 0.726 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 12.369 -13.665 0.184 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 -6.609 -3.004 6.502 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 -0.183 1.751 -8.666 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 17.819 20.751 -5.315 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 2.267 1.447 -12.676 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 6.681 3.118 1.857 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 17.519 7.964 -7.243 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 5.407 0.986 -1.071 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 3.840 5.849 -0.675 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 -18.705 25.190 -3.662 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 6.491 -14.429 -22.990 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 3.729 -1.216 1.945 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 2.284 -0.271 -2.473 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 18.327 -11.651 18.721 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 0.584 4.146 2.481 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 5.769 4.853 0.248 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 1.569 7.346 6.105 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 1.561 -2.379 4.419 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 -12.298 -14.960 19.455 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 2.147 20.046 12.888 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 0.644 -1.998 4.796 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 10.356 -16.560 -2.305 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 15.471 -7.661 -19.147 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 -5.121 5.713 7.580 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 -9.651 5.614 13.509 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 -6.680 -2.910 7.701 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 -3.388 7.995 2.173 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 -1.179 -2.149 27.669 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 2.734 6.819 19.390 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 -3.277 -2.375 0.408 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 27.938 12.142 -4.553 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 4.811 -4.636 -1.788 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 1.932 0.612 -2.465 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 0.498 -7.293 7.805 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 17.695 -6.352 10.630 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 -3.145 4.232 -2.178 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 -5.688 10.638 -1.671 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 3.304 -2.909 2.210 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 1.566 -3.479 -6.669 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 -20.870 20.253 -1.318 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 -12.870 -17.007 -12.742 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 1.500 -6.670 -0.842 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 4.827 -1.537 13.997 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 -5.028 11.254 -18.999 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 -7.374 3.477 -5.413 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 0.199 -13.858 3.263 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 -9.064 -6.346 2.014 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 4.674 6.389 -1.602 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 -16.071 -3.800 -5.306 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 -16.008 0.661 7.946 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 -1.356 -2.631 1.709 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 -18.334 -9.542 3.069 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 -15.469 -1.652 13.541 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 13.369 -3.451 -1.561 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 17.499 6.180 -22.601 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 -17.244 -1.429 30.195 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 -0.961 0.232 0.432 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 -12.473 -18.441 -16.737 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 13.031 -2.625 4.934 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 0.197 -3.728 -1.432 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 -22.121 -37.103 6.184 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 -4.384 11.569 5.815 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 1.902 3.690 -3.071 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 -12.982 -6.865 -13.771 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 -2.168 -18.006 -5.906 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 -6.983 -3.107 -1.194 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 8.578 2.510 -0.605 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 0.929 -7.571 -16.104 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 3.607 -0.587 2.490 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 12.788 -16.117 -17.611 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 11.147 -5.779 -12.395 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 -7.656 1.277 -0.996 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 6.186 6.058 17.419 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 -26.309 -22.048 -18.203 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 -2.173 5.674 5.177 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 -13.052 16.167 13.220 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 16.941 7.424 -2.946 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 -2.415 -1.891 0.598 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 -11.303 -7.398 -3.087 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 -17.054 -2.704 -3.401 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 4.904 -0.940 -0.941 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 3.509 -6.061 8.043 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 13.563 16.413 -7.190 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 -1.434 -1.257 -3.077 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 -15.320 5.665 2.718 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 -1.404 -1.166 1.274 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 0.678 -0.097 3.421 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 11.477 11.014 9.404 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 7.934 9.798 7.658 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 1.054 -1.938 -3.959 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 -1.172 -3.272 -7.562 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 -3.150 9.755 0.752 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 -1.735 -1.654 2.908 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 18.412 -18.781 -3.089 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 4.644 0.386 0.943 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 1.679 -3.358 1.057 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 33.063 -22.863 7.054 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 15.871 9.223 11.563 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 0.360 -7.166 -1.184 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 -4.647 -15.167 10.826 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 -2.787 9.566 8.340 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 0.435 -3.378 -2.699 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 12.989 8.770 -12.679 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 5.862 4.060 -5.097 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 1.707 5.450 3.122 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 15.182 -0.041 -0.295 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 -0.951 -10.903 19.327 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 4.836 0.294 3.768 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 -11.872 -17.098 -11.001 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 1.840 22.829 -9.022 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 -1.622 -0.327 0.604 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 7.874 -1.676 3.619 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 -2.860 8.160 -7.908 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 2.077 4.216 1.853 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 9.105 -4.351 -6.046 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 -3.299 1.251 22.393 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 0.165 3.268 -1.681 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 -14.571 -9.027 -22.376 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 2.565 10.023 8.281 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 9.166 -5.360 -3.819 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 -12.572 8.901 -8.707 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 24.070 -2.483 -17.803 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 -1.836 -8.055 0.906 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 2.865 -0.055 9.985 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 -13.420 1.083 -9.021 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 -1.441 -10.909 -5.120 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 -4.768 8.031 12.502 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 8.374 -5.322 8.120 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 0.906 -5.683 -0.854 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 -4.072 1.927 0.385 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 6.527 -11.555 -6.567 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 2.185 -4.755 -1.947 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 -16.860 17.015 -15.693 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 -12.234 11.816 -16.961 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 0.263 -2.730 -0.920 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 -6.702 13.621 -26.736 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 -10.974 16.115 23.104 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 -0.282 2.276 0.862 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 4.646 1.270 -9.703 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 -13.395 -13.522 -0.019 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 -2.623 -2.493 -2.600 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 -9.276 3.458 -5.512 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 -0.318 -8.375 -4.616 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 1.873 2.596 -2.747 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 21.099 -8.959 -10.722 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 1.391 6.602 -3.838 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 -1.507 -6.347 -1.073 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 -6.431 -17.577 -6.138 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 -2.573 -9.656 -2.842 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 6.381 2.495 -1.840 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 16.863 0.504 -5.756 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 0.400 3.696 1.120 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 -1.001 -3.536 -3.450 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 -11.659 -2.030 -5.619 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 1.313 5.565 2.632 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 -2.727 -1.756 -3.451 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 12.026 1.133 24.373 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 3.777 -17.014 -0.417 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 2.180 5.310 8.749 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 6.254 -1.365 -1.699 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 4.253 12.595 3.494 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 5.921 3.853 2.750 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 7.741 -5.143 11.262 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 4.498 0.920 -5.550 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 1.178 -9.382 6.413 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 -20.835 -9.585 7.876 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 -3.775 15.205 -1.459 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 -3.701 -1.756 0.523 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 -8.514 -3.527 -8.685 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 -12.427 3.007 20.509 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 -0.031 3.985 0.174 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 20.019 7.304 -3.545 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 0.751 5.682 -0.166 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 2.426 -2.198 -7.331 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 1.652 -0.419 -7.617 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 4.768 12.868 -14.598 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 -0.372 -0.001 -3.180 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 -12.111 1.702 1.414 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 6.181 6.035 -5.272 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 0.718 3.769 -0.614 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 -26.504 13.064 18.535 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 22.158 -17.283 27.546 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 7.388 5.128 2.781 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 8.619 3.924 -17.364 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 14.612 -1.311 6.616 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 1.768 2.808 0.077 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 -1.650 2.553 -8.629 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 2.462 -3.589 -2.196 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 0.328 -4.244 -1.709 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 1.719 -7.599 0.646 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 3.004 -3.609 -4.850 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 1.051 2.792 2.133 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 7.174 17.842 1.431 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 -3.513 -7.624 2.124 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 -7.422 0.232 -7.686 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 -7.281 1.016 -7.844 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 -3.948 0.407 -2.759 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 4.110 -5.102 -3.416 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 0.483 -9.176 -18.771 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 -6.894 8.381 1.909 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 2.584 -4.936 4.846 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 6.110 -11.396 -4.628 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 -4.932 2.919 -0.417 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 -0.147 2.877 2.269 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 3.762 3.944 -1.469 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 -15.371 24.142 10.290 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 -0.011 1.327 -2.481 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 0.030 12.134 -26.660 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 12.983 -13.386 29.908 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 0.125 -5.848 -4.119 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 3.848 7.911 -5.993 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 -0.613 -15.761 -0.753 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 4.311 -4.031 0.474 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 -7.226 16.751 2.577 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 -9.633 11.560 -1.476 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 0.045 1.030 2.037 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 0.261 0.818 -4.450 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 0.412 1.162 0.237 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 0.390 2.924 -4.762 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 -13.111 -8.932 3.045 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 -11.873 11.478 5.218 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 4.570 -0.275 0.877 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 9.079 3.392 -2.108 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 -5.570 -10.325 -19.411 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 4.170 1.938 1.744 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 6.932 1.662 2.242 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 11.545 3.970 9.571 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 7.444 3.262 2.113 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 -21.142 -3.769 3.560 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 26.156 7.932 0.116 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 -5.433 -0.193 -4.988 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 -12.939 13.427 8.583 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 -11.658 15.112 -5.040 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 0.883 -1.245 2.410 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 -3.235 14.425 -6.214 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 5.211 -3.991 4.360 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 6.278 0.256 1.131 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 8.244 7.536 3.324 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 -2.720 -7.967 6.234 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 -5.729 -0.834 1.797 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 14.917 -15.782 0.150 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 1.055 -3.404 7.381 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 -0.628 1.756 4.854 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 11.015 2.366 6.664 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 -7.236 4.081 -21.886 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 3.982 3.427 -3.908 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 11.553 2.384 -9.774 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 -3.037 5.681 -0.091 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 -6.784 1.232 3.850 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 -9.666 -4.526 0.366 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 0.347 4.643 3.218 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 -6.494 2.328 3.043 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 -18.884 -16.242 -11.271 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 -3.824 5.182 8.148 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 0.782 -0.606 -3.263 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 -2.910 29.025 -18.733 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 -14.281 3.367 10.500 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 7.630 2.562 2.225 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 5.060 -9.565 -1.883 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 5.677 8.428 -7.314 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 2.633 -4.308 0.681 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 6.293 -14.664 7.271 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 -0.435 6.257 1.629 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 -0.770 -6.699 0.055 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 8.390 13.585 -14.117 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 15.678 -0.364 11.761 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 -1.037 -9.748 0.671 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 -17.025 -6.008 13.422 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 -0.467 -11.413 -9.496 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 4.947 0.222 -4.333 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 -14.052 5.648 10.250 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 14.787 4.018 -14.297 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 0.619 -2.333 4.444 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 -2.235 2.906 15.644 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 -3.252 -5.544 -19.042 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 7.064 -9.666 -0.723 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 6.689 -8.874 -0.293 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 22.872 -23.619 -10.107 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 -4.616 -5.404 -0.625 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 -7.307 -14.929 -9.121 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 11.485 -1.556 -9.139 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 1.189 -0.065 1.054 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 -10.604 1.891 -19.077 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 -15.203 -1.316 14.972 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 0.887 3.050 -4.325 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 19.671 8.106 -1.105 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 -11.645 1.152 7.849 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 -3.211 -0.350 4.266 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 8.984 -19.265 -14.852 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 24.010 7.324 -23.067 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 -9.559 -3.696 -5.979 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 -8.178 5.697 -3.448 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 -8.995 2.213 -17.574 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 -0.564 5.895 -1.806 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 1.477 11.510 13.601 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 -1.834 4.040 -3.862 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 -0.681 3.339 2.104 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 1.243 -25.037 -6.585 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 1.839 0.086 -15.148 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 -0.291 0.794 -4.155 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 -3.199 6.936 -14.570 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 5.458 -9.406 20.640 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 3.149 1.860 0.430 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 -2.369 -2.493 -10.824 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 2.883 2.175 0.343 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 -10.513 -3.713 -5.259 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 -22.603 -11.786 1.355 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 -5.456 -6.390 -15.403 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 -1.389 -0.874 -4.213 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 10.507 7.778 -9.057 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 0.169 -17.789 6.745 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 -2.361 -2.458 -2.703 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 3.343 0.838 7.995 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 -18.445 28.356 0.527 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 -2.298 5.920 7.457 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 -2.397 -9.136 -3.758 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 -0.849 -10.546 -3.389 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 4.763 -1.220 0.972 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 12.121 2.560 -3.100 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 -2.259 4.791 -9.830 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 -8.839 0.671 -0.005 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 0.418 -7.180 5.908 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 -23.230 -10.418 -1.478 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 2.522 -3.850 -5.777 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 -2.965 -7.975 -4.052 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 20.049 11.365 3.974 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 -3.523 -4.340 0.015 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 10.696 -1.119 -4.557 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 -10.480 -3.654 -7.723 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 -4.468 2.600 0.782 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 -4.551 1.685 1.908 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 -2.726 11.383 6.416 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 0.809 2.200 -9.873 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 -3.157 6.368 -9.362 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 1.752 3.997 -7.461 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 -4.254 1.250 -3.611 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 11.927 -18.091 -1.670 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 10.763 -20.892 5.261 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 -0.468 0.342 -0.943 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 9.636 0.049 5.033 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 12.579 -12.439 4.403 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 -1.773 -2.485 -2.383 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 5.610 4.583 -2.277 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 -2.790 12.294 -28.833 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 2.249 0.719 -1.824 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 8.045 -9.122 -32.214 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 8.014 -9.750 18.183 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 0.321 0.297 -1.691 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 1.627 -6.353 -8.002 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 6.218 -13.746 -14.532 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 3.706 1.382 0.608 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 18.202 -33.416 5.144 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 1.598 16.994 -4.524 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 4.500 0.589 3.494 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 0.496 1.196 -1.113 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 8.558 7.747 2.467 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 1.098 1.299 1.758 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 10.575 -5.576 18.088 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 19.933 -28.517 -13.214 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 7.390 -1.106 -1.091 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 -21.241 -3.369 -9.728 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 2.772 18.866 -3.092 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 -5.113 -4.212 -2.876 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 -1.568 -2.744 5.494 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 -0.260 -10.538 -3.602 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 1.317 0.655 2.372 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 1.885 -22.170 3.439 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 -5.688 12.443 1.188 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 -2.080 3.391 -1.703 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 -4.821 -21.988 -4.729 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 -4.129 5.670 18.051 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 1.758 1.144 -3.835 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 -0.761 20.736 -5.311 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 2.549 13.884 -0.087 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 -7.474 9.354 -6.479 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 -3.942 16.043 -3.209 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 -11.914 7.591 -15.199 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 8.669 -4.308 3.578 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 3.694 -19.303 11.736 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 -14.348 12.628 7.397 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 -0.753 0.731 -1.392 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 -1.891 -0.948 -11.199 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 0.578 -13.682 -3.972 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 6.369 7.624 2.947 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 0.724 9.546 2.619 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 0.666 -5.531 -32.100 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 0.913 -7.486 -5.588 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 -0.300 -5.534 -3.641 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 16.104 -9.453 -2.100 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 -0.583 -1.609 5.348 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 -6.999 -9.577 -9.557 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 11.526 4.044 -1.877 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 4.175 3.790 3.396 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 5.120 0.298 22.849 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 9.071 18.697 -1.487 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 4.548 10.592 -3.093 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 6.807 17.055 3.204 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 0.252 1.912 -8.207 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 7.476 -1.281 -1.028 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 10.756 -0.391 -14.183 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 17.134 -13.281 2.226 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 0.370 -1.423 -3.606 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 1.234 14.731 12.760 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 2.837 0.278 -16.450 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 -4.048 0.030 2.446 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 22.597 6.596 -6.324 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 -10.339 21.403 20.975 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 -2.742 -4.030 0.134 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 -0.793 4.435 8.034 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 -13.651 4.439 5.040 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 4.828 1.747 -0.074 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 4.449 -11.119 3.139 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 7.643 -25.468 7.029 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 -2.756 -0.243 6.150 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 6.832 8.054 5.855 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 -4.450 7.394 22.989 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 4.460 -3.267 9.291 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 -8.975 16.479 4.477 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 -13.613 1.661 16.942 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 3.273 -0.907 4.299 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 -15.411 12.718 -25.168 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 -16.552 7.378 16.768 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 -1.595 -2.237 0.067 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 13.689 0.105 -4.987 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 6.950 6.885 -9.831 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 -0.602 -2.980 -1.578 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 -7.104 -13.052 -14.401 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 -23.070 1.218 7.788 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 9.616 -3.512 -0.087 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 -4.330 1.383 2.958 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 -2.529 -0.432 2.533 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 -1.201 2.180 7.032 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 8.247 10.785 -23.817 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 13.401 -8.866 23.405 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 2.892 2.236 -3.835 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 -2.724 -14.224 -2.647 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 -19.941 8.567 1.586 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 0.372 2.999 0.891 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 -1.747 11.797 -24.095 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 6.531 24.021 4.059 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 -3.414 -0.189 2.059 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 -5.653 -24.243 -8.995 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 -10.693 24.841 -2.621 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 -3.542 -6.813 4.284 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 -15.761 2.612 -7.916 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 20.246 -9.536 12.646 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 8.602 -2.637 1.208 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 3.727 5.301 23.781 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 -5.540 -3.939 -0.334 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 -1.402 -1.932 -0.313 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 -7.549 16.714 2.813 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 20.178 -3.025 -0.595 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 -2.202 1.089 -6.348 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 -14.468 11.237 6.381 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 11.422 14.106 6.910 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 -7.321 4.668 8.659 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 11.258 5.724 17.895 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 -7.780 18.595 4.769 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 -0.707 2.185 0.314 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 -20.609 -1.671 23.221 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 7.796 27.854 5.665 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 1.234 2.042 0.107 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 20.796 -6.174 -14.899 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 15.688 -4.185 -13.117 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 2.107 0.854 1.613 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 3.356 18.073 2.297 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 3.220 -7.672 -6.935 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 -3.129 -4.275 -5.687 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 8.698 -7.882 21.013 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 -5.437 14.440 -3.290 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 -1.922 -2.689 -0.323 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 14.843 15.603 -2.655 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 -16.888 -13.442 -3.679 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 -0.410 4.923 11.414 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 6.755 13.842 9.120 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 7.927 -1.083 21.626 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 4.344 3.872 -6.449 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 -9.925 -20.138 36.901 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 1.642 -1.140 1.822 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 -5.862 -2.600 -0.126 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 2.154 -1.046 -16.480 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 -13.575 -16.209 -0.722 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 -6.394 3.640 3.774 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 16.503 14.851 31.281 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 -5.725 -44.407 -0.834 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 -0.128 0.680 -3.609 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 -14.757 -5.364 8.896 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 -9.247 -1.920 -2.907 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 -3.374 3.727 2.810 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 6.079 0.741 14.032 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 -0.168 2.094 6.406 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 7.954 -1.493 -7.139 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 1.073 -6.898 4.410 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 8.600 -10.704 -14.984 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 -2.134 0.848 5.255 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 -5.998 -0.251 -8.341 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 -8.549 12.850 9.602 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 1.333 -3.411 -3.076 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 4.652 -7.840 11.091 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 6.465 -10.690 -0.676 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 1.659 -0.713 2.201 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 -7.811 -14.780 -11.177 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 5.239 -3.904 -9.196 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 5.323 3.910 3.541 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 -3.339 -26.719 -5.571 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 2.808 -9.480 18.166 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 -5.300 4.948 1.549 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 3.339 14.325 -16.397 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 -27.781 14.306 6.085 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 -2.044 2.228 -7.484 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 11.706 -13.426 -11.634 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 -23.819 -16.458 -0.996 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 -7.064 2.976 -1.291 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 -18.731 -19.860 -3.718 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 -4.650 26.223 -27.893 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 0.730 2.088 -3.387 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 10.439 12.323 -24.555 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 2.976 14.942 -1.485 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 -4.359 -1.166 5.755 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 -1.986 2.081 -10.857 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 8.015 -2.370 8.884 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 -1.519 -4.413 -1.839 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 -21.753 -8.546 13.866 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 11.013 0.710 -14.151 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 2.920 -3.191 1.725 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 5.163 0.451 -2.724 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 -1.857 -13.683 -3.464 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 -2.769 5.525 -4.054 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 8.238 8.098 5.580 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 -13.211 4.041 6.395 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 5.557 -2.315 -6.225 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 0.024 1.066 -7.978 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 -16.065 8.195 -12.675 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 -6.392 0.649 -0.822 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 7.774 15.018 -8.787 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 7.132 23.876 8.326 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 3.805 2.043 7.151 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 4.556 -21.912 6.037 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 1.461 -22.399 -10.243 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 -2.494 -2.751 -1.425 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 11.670 7.676 -23.403 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 -5.125 12.250 9.688 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 0.490 -2.182 -3.259 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 -5.775 -3.248 -3.470 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 -2.712 -2.037 11.119 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 -1.203 -1.291 2.974 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 0.461 -8.695 -23.903 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 0.883 -1.537 -1.460 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 3.808 2.507 6.125 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 5.476 -0.735 5.993 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 6.165 5.240 8.977 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 -1.137 8.408 -2.389 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 16.887 17.005 6.083 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 2.103 1.818 -17.114 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 5.050 -1.583 -6.964 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 -17.791 10.916 -9.134 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 -13.609 1.219 12.503 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 4.737 1.270 0.752 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 -5.076 -8.143 2.049 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 30.933 7.928 1.444 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 1.211 -2.204 3.687 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 -4.624 6.482 10.601 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 2.909 2.627 -7.071 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 -0.031 -1.842 -11.253 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 -5.969 -9.432 5.556 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 -4.721 12.971 -6.166 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 -9.880 -0.386 2.474 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 -5.220 0.338 10.822 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 -21.306 -9.812 -1.460 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 -5.569 -4.333 -1.263 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 -4.375 5.646 5.003 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 18.801 0.125 -10.099 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 -2.823 -4.196 2.858 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 3.356 -1.781 4.631 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 -14.894 -10.171 0.113 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 -5.348 -0.165 -0.205 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 -20.952 8.541 -1.467 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 -3.483 -4.389 -16.181 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 7.863 0.572 5.003 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 13.798 2.301 8.629 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 2.618 -0.585 1.317 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 -5.271 4.968 -4.919 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 22.460 20.938 17.482 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 9.087 8.118 7.405 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 0.637 3.749 -0.579 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 13.070 33.210 -29.376 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 -2.783 -22.482 -11.544 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 -3.042 3.033 -1.344 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 0.893 -14.274 -7.875 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 -5.416 -3.020 12.685 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 5.924 3.056 3.176 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 10.725 1.582 0.723 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 -3.450 -10.219 -2.408 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 -3.257 7.303 -7.278 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 30.009 -22.701 -10.131 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 3.571 19.347 -2.157 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 -9.802 -1.959 -1.925 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 -7.764 -40.685 -2.478 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 -9.542 -8.108 17.850 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 -0.315 3.032 -0.620 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 -15.548 -5.062 -8.785 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 18.269 12.355 10.198 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 -1.799 3.006 -0.717 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 -0.664 2.974 -13.299 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 -11.347 13.756 10.153 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 -1.586 1.476 -0.367 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 18.799 -5.121 -0.218 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 -3.859 13.020 15.218 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 9.457 2.412 -0.334 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 7.370 1.143 -1.240 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 9.592 4.329 -0.331 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 -0.156 -1.356 -6.298 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 -16.703 -15.055 0.186 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 3.415 19.553 -11.518 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 3.893 -0.292 -1.364 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 2.274 -14.416 -3.932 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 -9.776 14.720 -8.283 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 -0.831 0.997 -1.377 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 2.339 -3.433 -2.884 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 -2.425 3.402 -0.137 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 -2.213 -3.123 1.549 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 2.093 0.525 -0.052 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 7.778 -15.302 -8.132 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 5.380 1.044 1.080 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 1.757 -0.798 6.079 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 -0.292 -22.340 4.981 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 1.579 0.713 2.938 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 -8.108 5.442 6.036 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 4.226 6.077 8.404 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 -2.266 -6.516 -0.382 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 -4.808 -1.696 22.272 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 5.351 -13.903 18.110 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 -5.255 -6.995 1.600 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 20.418 -21.602 2.871 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 -2.574 8.922 -22.993 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 -0.146 -3.099 -0.190 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 -2.525 -17.250 15.370 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 11.739 1.803 -7.883 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 7.886 -8.209 4.160 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 -6.192 -6.515 17.967 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 27.835 -7.003 -12.909 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 -2.756 -6.164 -2.930 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 -7.509 -3.300 0.835 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 -4.681 -11.943 -9.208 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 3.245 -2.968 -4.271 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 1.079 2.314 -6.183 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 0.300 5.222 -5.634 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 -8.182 -2.610 -5.738 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 -8.831 -0.803 -2.495 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 -10.292 11.221 1.657 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 5.341 -0.862 2.175 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 -1.444 -14.682 -9.444 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 -1.367 -11.061 3.761 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 -6.470 -6.717 0.525 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 -0.301 5.312 2.034 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 -9.357 -34.335 6.462 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 -0.591 4.127 4.041 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 -7.735 -3.414 15.372 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 7.859 21.300 12.894 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 3.478 -4.684 5.279 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 -9.199 -2.640 -9.043 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 -3.428 -5.969 0.740 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 2.805 1.747 3.924 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 1.329 -10.764 15.656 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 8.440 -14.988 -3.911 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 3.389 -3.357 -0.664 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 0.899 -9.683 -4.816 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 11.916 -11.380 7.956 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 -4.726 3.084 0.695 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 -8.281 7.633 -2.458 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 -12.003 -6.233 23.247 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 2.119 -0.747 -5.419 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 12.506 -0.547 12.644 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 0.382 8.906 -14.698 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 -3.061 -1.088 -6.252 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 -5.822 2.061 -1.295 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 -3.639 0.086 -6.155 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 4.174 -0.913 -9.065 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 -1.532 -5.110 3.142 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 9.734 -7.878 2.658 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 -0.819 -3.468 6.174 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 -0.057 20.324 -27.515 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 -22.814 -36.644 -5.824 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 -2.888 -6.493 -2.677 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 0.269 0.387 -1.519 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 -0.811 -20.538 5.405 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 4.177 10.201 0.390 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 24.388 -17.117 9.704 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 19.232 -13.035 7.327 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 3.369 2.115 -1.142 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 -2.994 11.800 -17.420 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 4.584 15.231 -12.974 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 -0.473 -2.807 -5.311 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 2.992 -30.001 -2.092 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 15.542 -4.077 30.432 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 3.173 5.797 -2.396 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 5.707 2.670 -5.592 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 31.040 21.401 -8.271 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 1.526 2.873 3.530 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 -16.129 11.150 -5.411 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 0.357 3.460 -16.439 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 1.253 1.937 -6.734 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 -4.707 13.974 -12.372 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 12.422 3.911 2.374 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 -2.106 4.165 -5.795 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 1.860 11.798 -3.269 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 -10.078 9.656 -15.030 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 2.255 0.538 -0.861 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 -6.219 0.343 9.792 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 -7.516 0.984 -9.803 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 -2.025 4.928 1.378 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 -7.046 26.157 -17.761 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 -6.579 -19.467 -14.092 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 -1.301 4.421 -3.454 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 -8.391 3.316 -3.182 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 -7.794 2.547 -12.979 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 -1.841 -3.642 -1.251 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 12.245 5.020 8.101 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 -4.869 14.467 -12.148 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 -5.463 1.037 -2.583 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 -11.695 -17.341 2.924 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 -0.602 1.091 -17.425 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 0.525 -3.222 -1.431 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 -1.710 4.818 -5.771 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 10.332 16.172 8.072 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 -6.637 1.768 4.051 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 -1.434 -2.788 19.881 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 1.840 11.009 3.289 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 1.017 3.105 0.855 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 -0.406 8.092 2.603 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 31.340 -8.701 -5.185 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 0.594 4.100 -6.208 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 5.885 3.515 -23.176 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 -10.088 2.636 7.593 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 -3.932 0.811 -0.996 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 1.619 11.136 4.173 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 -5.942 -31.392 -15.081 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 -1.493 -7.641 -0.964 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 4.362 -13.885 1.752 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 -0.907 3.478 -35.070 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 8.061 -0.514 -7.155 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 19.437 -4.676 -32.100 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 1.712 26.023 -7.170 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 -0.485 0.038 -4.624 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 -1.044 -4.755 1.160 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 -6.354 1.842 -15.782 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 -0.170 6.287 -4.260 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 -1.747 14.427 -2.098 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 12.648 0.777 -14.049 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 0.122 -2.921 4.143 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 -19.493 -16.273 10.006 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 1.992 -14.250 -5.897 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 4.476 1.298 2.105 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 -1.471 8.487 17.498 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 -3.678 -0.382 15.087 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 -3.119 2.412 5.737 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 -4.041 1.814 -4.960 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 -4.192 10.430 -3.116 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 5.010 0.724 -4.647 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 -4.426 -16.844 24.512 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 8.697 6.778 -1.977 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 4.372 -2.853 -2.004 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 -6.790 4.683 5.624 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 15.788 7.104 -18.862 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 -0.195 -0.620 -2.735 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 9.647 -3.406 -1.153 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 -11.436 2.447 -4.770 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 2.333 6.111 2.322 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 19.973 -1.014 -13.105 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 -0.416 1.526 10.504 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 6.029 3.056 4.578 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 -6.802 -1.524 -9.233 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 -11.596 -5.440 -16.733 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 -6.790 7.292 -11.220 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 -2.905 -2.705 -31.933 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 39.215 6.901 10.819 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 -0.557 0.959 6.206 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 -7.495 -1.868 -1.730 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 4.212 7.033 5.302 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 -4.589 3.070 0.259 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 -7.263 6.157 2.493 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 -4.246 -7.153 -6.365 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 0.887 0.677 4.216 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 34.653 1.689 16.813 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 -15.257 13.989 -4.717 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 7.454 -0.222 -2.800 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 6.398 -0.501 -2.501 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 5.881 7.009 -13.639 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 -3.358 8.691 -5.572 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 0.224 12.517 -5.685 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 14.388 1.215 -22.222 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 0.452 0.056 -5.580 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 -2.653 -2.765 -7.608 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 3.089 0.660 -11.955 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 -2.470 2.541 1.067 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 4.306 10.838 1.642 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 9.565 -8.915 8.378 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 8.790 0.571 -2.386 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 15.882 -10.639 7.430 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 -4.533 19.424 -22.089 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 -0.670 -2.376 2.829 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 1.438 -11.196 11.412 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 3.159 -3.844 -23.428 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 -4.955 -6.656 -3.042 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 -14.533 20.519 -15.730 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 -9.122 -1.037 18.829 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 -3.208 0.900 1.214 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 -15.556 -12.279 -6.954 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 -14.221 -10.929 -6.234 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 3.837 0.921 -2.467 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 -3.632 -8.551 6.262 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 -8.764 -20.442 6.098 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 -2.638 -4.960 -1.592 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 22.384 5.191 3.710 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 13.973 -26.335 -8.527 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 5.967 -4.166 4.510 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 5.627 0.097 6.395 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 5.404 -5.844 5.139 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 2.089 1.198 -0.174 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 -12.280 -2.532 -13.003 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 4.024 7.388 -15.722 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 8.003 -1.169 2.874 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 23.990 27.883 3.004 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 3.502 -2.576 -12.919 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 7.696 1.658 0.153 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 6.829 -18.210 15.661 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 7.079 8.525 -6.106 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 5.269 -5.457 4.229 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 19.691 18.650 14.522 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 -12.368 -4.002 -3.867 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 -0.332 -3.118 -4.870 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 3.980 -4.904 -14.601 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 -14.783 16.674 -2.356 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 -0.340 -7.055 -6.345 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 -12.157 1.618 18.422 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 16.635 15.804 -10.913 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 3.364 -1.678 -3.599 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 -0.991 1.521 -14.588 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 9.494 -14.488 -5.122 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 1.279 -3.125 -10.108 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 -11.695 18.730 9.338 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 -3.608 10.028 4.389 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 4.458 4.637 3.272 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 -20.981 18.513 -4.376 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 5.655 -3.644 -4.479 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 2.489 -3.914 -3.161 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 8.603 -6.719 -1.455 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 -3.999 9.740 -10.090 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 1.799 -0.889 -4.095 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 25.070 -13.001 15.971 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 15.243 -12.448 -4.805 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 0.666 -9.607 -1.124 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 -2.012 -12.453 -6.913 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 1.704 -4.422 -8.601 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 4.977 -1.353 3.045 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 -17.709 17.419 12.659 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 17.560 -14.309 -4.487 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 -0.204 -1.882 2.060 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 3.147 -10.587 -2.143 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 -11.347 15.409 10.991 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 -0.792 3.020 -1.945 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 9.035 27.051 17.223 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 21.541 -19.559 0.151 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 2.978 -0.183 -4.737 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 5.917 -25.966 -9.309 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 0.683 -2.125 8.941 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 3.710 -5.720 -0.852 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 -29.727 -33.251 11.235 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 8.337 11.526 -1.855 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 -4.616 2.466 3.224 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 14.388 -15.757 -13.739 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 -41.933 0.837 -0.570 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 -8.069 0.399 -6.163 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 0.860 5.696 2.911 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 -15.167 11.101 8.753 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 0.759 -1.032 0.868 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 14.084 -7.140 13.289 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 -19.066 2.332 12.517 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 2.040 -0.421 -1.936 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 0.914 -2.406 -1.555 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 -0.339 2.229 4.928 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 4.156 1.662 0.996 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 4.988 -8.054 -3.244 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 -3.175 15.501 -8.016 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 -5.562 3.040 -0.730 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 16.545 3.470 6.499 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 -5.414 -13.609 -8.636 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 1.085 2.334 -9.274 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 12.948 6.904 9.344 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 10.119 -0.246 15.450 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 2.524 -0.190 1.258 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 7.037 5.255 -2.206 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 9.820 -16.097 11.205 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 -2.919 4.267 -1.010 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 3.593 18.740 7.563 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 -4.861 -2.876 -0.251 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 3.598 -2.714 -3.970 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 -2.024 11.121 5.883 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 17.187 -13.546 16.752 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 4.293 -2.651 0.138 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 -6.175 -7.275 24.220 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 25.511 8.976 6.313 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 -5.126 2.253 -5.922 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 -2.226 5.044 -14.240 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 -14.455 -1.350 -7.014 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 2.877 -1.716 1.781 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 1.864 -1.259 -3.126 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 15.166 -6.287 17.855 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 3.837 3.752 4.321 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 0.872 10.156 -1.632 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 7.669 1.724 7.180 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 5.838 6.545 0.931 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 -1.318 5.078 14.325 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 6.343 -6.704 27.403 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 -0.882 2.190 1.911 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 1.061 5.835 -2.174 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 0.055 1.125 3.684 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 -4.222 4.629 -1.652 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 -10.208 5.014 -6.119 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 -10.868 7.962 -1.655 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 -6.375 2.345 -3.685 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 -2.823 -8.080 -1.001 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 -8.963 1.676 3.438 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 0.947 0.380 1.493 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 -5.406 10.828 -10.618 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 9.518 -11.944 7.860 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 4.658 -1.742 -0.468 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 6.197 -1.316 -3.936 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 -9.147 28.661 15.251 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 1.448 2.263 -3.592 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 -5.344 9.086 -1.405 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 7.064 6.949 1.937 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 -4.100 -5.666 -2.637 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 -2.554 10.466 -3.823 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 0.355 -4.794 2.478 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 1.517 -3.449 -4.646 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 0.701 42.493 -18.729 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 -2.034 0.168 -6.745 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 -1.086 -3.202 4.045 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 15.082 14.857 11.872 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 -32.480 -1.746 -0.208 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 -3.344 6.081 -2.925 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 9.492 6.752 -3.609 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 -1.719 4.838 -6.390 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 -2.385 -0.430 -1.447 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 2.578 0.220 -5.113 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 2.104 -2.212 -4.340 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 -6.556 4.940 7.951 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 -1.462 -15.337 6.641 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 -0.075 -3.988 14.899 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 -3.985 -4.863 -5.963 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 16.683 7.133 -17.229 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 1.441 5.320 5.755 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 1.696 2.865 0.287 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 -7.322 6.881 -10.121 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 3.190 2.567 1.442 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 -3.771 2.786 -1.008 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 4.248 2.553 -3.097 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 -5.631 -6.658 2.180 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 1.304 0.809 -1.611 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 4.795 4.019 -3.642 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 -17.234 1.352 5.730 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 5.163 -6.929 2.765 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 2.347 -8.301 4.007 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 -16.072 -18.359 10.793 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 6.953 0.599 3.372 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 -4.447 8.911 -9.381 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 16.891 -8.407 14.755 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 -0.148 5.225 1.250 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 -3.219 -3.969 -3.286 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 8.184 2.244 -2.280 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 -5.961 -0.624 0.776 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 2.957 -14.665 -13.352 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 -3.188 -20.329 -4.969 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 -1.177 -5.219 -2.921 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 -10.769 -19.827 0.003 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 -9.546 20.760 1.850 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 3.789 2.689 -8.607 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 4.093 6.916 9.055 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 31.203 12.687 -6.179 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 -2.859 0.812 -3.521 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 41.211 -9.575 13.637 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 0.875 18.793 -5.084 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 -0.023 1.961 3.982 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 7.334 4.852 -2.737 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 -2.909 -5.631 -3.604 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 1.698 3.223 1.394 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 -3.839 2.943 -2.241 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 -12.199 -1.033 4.122 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 2.747 1.402 1.204 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 16.974 -2.462 1.070 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 -1.978 16.270 -13.097 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 0.217 -4.617 5.548 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 -7.502 -9.746 19.869 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 31.776 4.418 -0.010 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 5.664 -0.545 4.903 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 15.489 -4.793 14.196 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 -10.363 -3.301 21.176 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 -4.721 2.500 -0.778 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 -0.302 0.463 14.275 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 -2.369 3.566 10.116 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 -4.030 -1.824 7.440 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 -25.703 24.900 -14.162 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 -9.167 0.269 7.673 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 5.240 -2.835 5.746 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 -11.163 1.949 21.810 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 1.426 -0.336 -17.112 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 -3.578 6.411 0.082 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 -14.596 3.878 -5.815 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 9.176 4.605 -6.788 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 -0.068 -2.056 6.240 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 -12.336 2.235 0.496 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 5.473 -7.977 8.086 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 4.759 1.126 -5.990 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 13.334 -10.937 -3.374 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 8.039 2.320 -23.330 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 4.693 -0.448 0.897 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 1.143 -10.268 6.040 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 -3.739 -3.394 1.772 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 0.536 -1.581 4.530 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 -12.778 8.921 1.651 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 -0.361 5.404 0.511 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 4.137 1.312 -3.285 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 -3.083 -0.718 26.298 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 -3.303 14.215 -0.815 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 2.578 -2.891 -3.066 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 13.606 -17.225 -17.505 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 -24.831 4.032 5.119 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 -5.234 1.628 2.332 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 3.273 -36.298 1.332 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 9.939 14.897 35.633 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 -0.843 1.326 6.421 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 -3.589 9.857 -4.186 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 -2.814 16.355 3.175 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 5.843 4.059 0.985 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 13.782 -3.764 -10.664 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 -0.675 8.997 -5.680 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 -1.696 2.161 -1.395 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 -3.632 -8.221 10.414 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 15.628 17.396 7.300 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 -5.024 1.686 -0.189 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 -5.381 3.425 -9.082 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 8.171 -11.661 7.585 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 0.122 5.871 -3.268 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 -3.035 -6.485 5.735 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 1.976 13.820 -10.619 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 -6.035 -1.528 -3.701 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 -15.640 -5.934 -5.064 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 -4.761 -8.185 4.192 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 1.437 -5.360 -0.143 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 13.185 -5.814 -21.291 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 8.883 -5.480 -15.523 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 -2.511 -1.439 -1.531 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 -1.263 -22.619 -3.089 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 -22.051 -2.771 8.319 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 4.027 -0.145 2.599 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 5.322 5.992 0.116 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 3.798 -5.073 4.060 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 1.532 0.738 4.180 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 5.852 -12.535 -11.916 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 -1.553 -1.698 -11.738 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 4.384 1.181 3.972 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 -4.398 3.478 -4.937 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 -12.679 -23.329 16.989 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 -0.753 -3.096 1.468 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 2.442 3.695 4.946 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 6.328 -48.942 -1.928 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 1.045 -1.560 4.964 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 -12.000 4.286 7.238 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 -2.145 1.094 7.019 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 -7.497 -4.073 -2.039 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 26.122 -0.039 13.385 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 -3.627 8.165 -21.971 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 3.542 -2.504 4.732 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 6.682 2.261 -1.543 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 8.067 -4.698 -14.110 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 -0.296 0.572 6.122 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 22.423 7.927 -3.740 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 9.944 12.031 6.209 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 0.537 0.391 -1.729 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 -0.401 4.653 -20.104 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 -14.108 19.800 -18.633 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 -3.578 0.839 -2.695 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 -13.636 -23.328 -13.384 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 5.810 3.454 0.581 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 3.263 4.575 2.433 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 -4.553 9.010 8.187 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 -13.075 -33.117 29.566 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 6.456 0.432 -2.513 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 -8.752 11.638 -9.287 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 7.080 4.834 -3.141 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 4.729 -0.691 -6.867 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 0.724 9.994 4.907 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 2.531 4.679 -5.680 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 3.476 3.581 -1.674 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 -8.403 23.270 2.176 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 3.013 -12.979 4.802 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 7.423 3.882 -1.572 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 7.806 0.200 -1.623 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 -1.707 13.297 -6.946 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 -0.927 -4.666 1.231 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 -4.860 1.260 4.020 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 2.075 -4.172 -0.102 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 -3.297 1.837 -5.313 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 -3.564 5.388 36.720 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 -9.703 3.047 -33.886 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 -9.561 6.872 1.425 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 -7.721 -5.918 0.411 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 -11.562 19.593 12.596 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 -0.668 7.509 0.699 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 6.395 6.290 11.797 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 -7.407 12.803 3.599 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 3.326 -9.304 -5.811 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 22.207 -21.340 9.820 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 10.437 0.060 7.774 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 0.530 -1.501 4.563 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 3.016 1.090 -17.956 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 1.259 -24.582 3.116 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 -11.123 -0.319 -1.436 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 -5.487 -14.037 13.498 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 -8.348 1.212 -12.636 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 7.478 -4.153 1.832 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 3.768 15.792 14.001 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 5.771 -18.828 -0.653 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 -3.952 -3.656 6.093 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 8.634 14.613 -14.321 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 15.787 4.294 -1.416 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 -2.079 0.466 0.399 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 21.063 10.592 -9.471 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 -5.518 -3.201 -0.174 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 -0.676 -3.532 -5.137 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 -1.145 16.137 3.626 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 -4.322 -0.277 -0.687 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 1.256 0.965 -1.131 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 4.691 0.600 -0.334 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 0.609 2.210 -4.095 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 5.953 -3.527 -3.643 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 -7.465 -3.844 26.779 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 -0.647 -3.817 7.738 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 1.220 -1.424 -8.830 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 -2.047 -12.686 -0.460 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 -8.178 7.139 -4.101 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 4.015 -1.095 0.953 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 5.655 -1.572 0.261 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 18.582 8.550 0.374 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 -6.598 -1.846 -4.591 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 -1.598 -5.413 10.246 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 2.655 3.143 -8.506 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 2.702 -3.459 0.780 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 17.663 -7.040 -10.356 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 -31.331 17.057 19.977 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 -2.448 1.864 -5.533 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 -11.283 -0.669 -1.747 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 11.835 6.089 13.227 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 -1.650 3.417 -2.393 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 16.505 -9.700 11.091 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 -12.440 -8.749 -13.603 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 1.642 -4.186 -4.777 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 1.223 0.024 -1.371 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 -0.464 29.369 3.032 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 9.234 1.944 0.682 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 5.858 -1.302 -5.077 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 8.631 1.440 9.685 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 -1.442 -4.242 1.445 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 18.507 -10.478 8.204 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 -16.779 2.304 -7.598 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 7.965 -0.003 1.118 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 11.911 -10.723 -1.557 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 -9.310 0.754 -4.491 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 -1.491 -2.403 1.543 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 -0.067 -4.205 0.206 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 -3.632 1.703 7.589 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 -0.348 0.910 -0.644 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 15.977 -9.060 -11.238 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 -23.114 -1.997 4.700 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 6.332 0.090 1.930 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 3.628 16.456 0.814 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 -3.104 -5.452 -9.143 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 -0.054 1.380 -7.741 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 4.931 6.936 -18.981 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 15.804 0.996 -6.681 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 -5.296 2.080 -2.630 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 11.577 -6.603 6.028 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 -5.979 21.864 8.665 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 1.079 5.442 3.189 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 -18.985 20.034 -4.730 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 7.042 3.948 15.986 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 -0.834 1.543 3.197 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 -3.437 -43.808 24.803 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 -3.205 -15.537 -2.042 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 7.414 5.701 -1.572 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 13.330 17.744 -3.311 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 23.229 13.164 -28.470 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 5.425 2.656 -0.847 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 0.283 -27.076 1.452 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 -17.660 15.733 -14.374 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 7.775 6.362 -2.118 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 3.627 8.212 0.963 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 -2.913 18.286 24.880 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 1.420 7.169 -1.224 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 5.730 -1.233 2.992 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 -6.060 12.469 -6.492 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 -5.160 -1.363 -9.190 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 -1.431 -0.579 -16.291 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 -4.734 -7.582 1.258 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 -7.699 -0.094 1.051 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 -10.365 -1.789 -2.612 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 -14.527 -4.602 -7.233 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 1.936 -5.844 -8.877 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 6.906 -5.461 8.904 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 12.386 1.943 -17.136 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 3.829 -2.913 3.660 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 -6.731 -18.191 22.398 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 4.860 -16.148 -13.197 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 2.735 -4.961 6.959 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 1.863 3.059 12.876 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 1.789 4.772 -0.766 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 2.439 -0.481 8.711 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 22.664 -7.823 13.380 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 0.344 0.292 6.606 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 0.882 -1.312 0.577 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 14.631 6.907 8.750 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 -9.316 11.515 -8.298 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 -6.888 -3.512 -0.874 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 -5.483 -20.294 -2.120 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 -6.741 -0.210 -1.419 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 -5.148 1.746 1.813 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 6.453 23.795 1.632 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 3.591 -18.365 -13.985 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 1.641 -0.883 1.078 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 -7.771 -6.736 31.792 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 8.874 -10.489 12.050 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 -3.907 -0.518 -2.402 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 -2.824 3.114 6.612 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 19.757 19.026 17.810 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 6.992 3.802 0.604 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 14.502 14.009 -0.488 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 -0.505 10.744 5.979 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 2.597 1.137 -1.383 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 -12.239 8.882 -4.184 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 5.163 0.390 1.124 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 0.778 3.777 0.757 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 -8.574 4.215 -4.288 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 -12.633 -26.046 -10.323 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 1.708 -0.223 -1.082 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 0.195 8.755 4.034 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 -3.710 16.184 6.107 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 0.151 1.589 -4.157 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 11.489 -12.041 -9.222 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 -5.389 19.792 8.487 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 7.311 -5.974 -1.090 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 20.013 1.391 -2.762 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 5.436 -7.093 -1.662 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 2.807 -3.689 0.250 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 19.983 1.428 1.645 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 0.041 -21.375 10.603 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 0.844 3.358 -6.714 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 -14.662 2.222 -1.941 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 5.097 2.039 -7.488 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 -0.700 -4.525 -2.882 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 10.925 -25.561 1.586 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 -0.976 -11.940 -19.437 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 0.986 0.748 2.308 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 8.791 -6.286 -2.507 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 -1.172 -11.201 -1.518 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 2.412 0.126 -4.389 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 -0.687 24.199 -19.651 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 -20.824 -6.306 6.054 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 1.617 -1.869 5.406 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 -6.062 -10.975 -22.452 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 2.207 -1.685 6.374 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 -3.719 1.370 6.142 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 2.111 -7.286 18.507 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 7.011 0.305 -3.760 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 -6.556 -3.359 -1.401 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 -1.875 -8.829 -3.666 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -0.715 -4.018 12.403 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 -3.412 5.508 2.560 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 -11.260 -19.581 3.035 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 -5.917 -16.727 3.989 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 -7.910 -10.885 -3.673 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 23.894 -8.627 -10.284 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 -23.736 15.036 7.283 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 -6.810 1.379 -1.466 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 -2.688 24.462 -9.930 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 -5.278 -12.957 -3.184 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 2.752 5.116 1.858 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 10.480 4.196 18.934 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 -11.232 20.231 -13.633 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 -4.816 3.048 -4.666 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 -7.478 -2.819 -4.596 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 -14.348 -19.157 -3.209 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 1.614 -4.966 3.389 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 6.276 15.280 22.770 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 -3.182 -7.402 -0.829 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 3.058 1.562 -2.268 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 15.531 9.223 -9.563 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 7.029 -8.550 12.271 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 4.049 -2.627 -1.039 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 -13.349 -28.058 0.311 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 8.413 8.154 -3.263 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 -6.053 -0.674 -7.092 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 -4.054 1.074 -6.391 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 -16.942 1.867 -1.074 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 -0.205 -0.825 -3.361 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 1.966 2.444 -7.459 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 7.060 -2.556 -5.684 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 -2.971 -3.589 2.450 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 -22.692 3.357 10.292 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 22.296 -8.846 -11.269 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 -1.362 -3.780 -1.495 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 27.498 5.819 15.639 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 13.593 -24.959 0.624 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 -2.141 -7.959 3.038 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 -1.657 14.154 3.306 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 -0.318 26.033 -2.587 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 1.271 -8.447 6.392 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 -11.163 -18.855 -4.202 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 3.871 -5.264 7.179 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 0.447 -3.796 -4.560 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 8.318 -18.562 13.695 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 -8.548 7.920 -13.042 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 -2.445 -0.044 2.387 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 -4.793 -4.102 -5.565 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 -2.198 1.950 5.247 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 6.240 -0.848 3.284 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 5.447 0.746 2.985 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 17.486 -26.451 13.106 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 -6.793 5.673 -2.548 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 -18.557 -9.056 -14.682 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 -10.721 4.466 -17.819 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 0.589 0.946 -8.107 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 6.661 1.223 -8.012 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 11.098 -2.851 -9.810 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 2.202 -3.113 -3.223 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 10.192 1.294 4.555 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 -11.225 22.282 0.490 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 1.542 -0.690 5.056 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 -6.565 36.725 1.657 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 -3.954 9.919 0.864 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 -1.281 -5.546 1.060 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 1.681 6.433 -14.164 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 -1.437 -7.804 5.167 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 -2.146 2.841 2.691 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 -5.858 12.946 4.148 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 -15.806 -5.819 6.541 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 0.364 0.204 -1.980 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 14.014 -5.719 -0.526 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 -5.932 -7.707 -0.287 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 -6.357 -1.921 0.742 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 -27.566 7.870 -8.691 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 -11.903 -15.215 18.960 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 -2.837 -0.340 0.329 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 -12.460 -24.606 22.867 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 -0.200 9.039 -8.452 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 3.248 4.872 -1.688 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 -4.339 2.175 2.424 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 -0.610 -3.775 -6.506 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 0.138 2.163 -0.848 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 11.340 -23.673 -14.709 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 9.969 10.380 37.564 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 -0.167 -6.618 3.023 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 -29.929 6.265 4.587 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 13.982 20.846 19.815 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 -1.752 3.160 3.270 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 -10.661 11.079 9.147 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 -7.503 -4.620 -9.633 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 5.592 -4.649 0.926 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 -0.519 9.094 -11.919 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 3.165 0.771 1.604 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 4.963 -2.179 -4.478 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 0.238 0.631 7.517 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 7.243 -9.420 -8.202 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 0.440 -8.006 3.438 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 2.372 1.400 -0.661 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 5.342 -3.470 -32.955 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 2.545 1.137 1.134 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 -20.934 19.200 -2.996 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 -7.051 11.845 -2.909 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 4.800 2.506 -0.606 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 5.478 7.351 -5.057 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 -7.403 32.007 10.507 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 -1.130 -2.524 0.022 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 15.104 0.072 9.145 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 -5.532 -16.119 2.129 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 -0.179 -3.865 2.658 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 13.630 -8.911 8.034 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 -23.010 -4.231 2.181 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 -4.680 0.319 5.847 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 -13.919 0.155 -1.719 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 -2.270 -11.461 6.023 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 2.983 -6.966 -3.699 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 -19.092 -11.395 21.631 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 29.634 -41.051 2.671 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 -1.062 -7.168 2.962 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 -0.262 -13.482 13.871 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 -1.670 4.525 -22.638 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 1.799 -4.516 1.902 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 2.357 -9.347 7.309 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 7.539 -16.156 -13.202 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 -2.714 -6.073 8.965 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 17.775 8.100 18.957 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 -23.050 23.665 8.908 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 -5.277 -0.432 -0.147 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 8.798 -3.271 -21.891 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 -7.352 4.521 10.401 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 4.373 1.539 3.961 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 12.337 4.430 -11.943 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 2.589 3.664 2.285 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 1.792 -0.562 1.955 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 -1.890 -0.648 1.577 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 5.239 -10.628 -2.015 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 -4.524 0.636 -7.569 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 -4.479 -0.344 -12.846 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 6.770 -24.800 -1.725 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 1.849 2.441 1.678 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 -5.102 2.184 9.941 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 9.858 1.894 -5.011 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 6.649 2.936 1.409 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 -0.832 -7.495 0.651 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 4.866 -0.928 1.410 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 -6.358 -1.543 4.485 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 -18.105 13.071 12.171 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 -13.304 7.277 -7.665 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 1.933 -3.071 -8.988 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 -1.380 -10.871 -20.566 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 -9.598 -3.230 -6.020 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 0.151 3.836 -3.394 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 21.743 2.196 -15.242 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 0.771 8.642 -28.768 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 -5.079 -1.270 2.660 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 -10.565 8.403 6.449 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 -1.401 -8.215 -2.141 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 2.646 1.376 5.288 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 -8.133 3.350 -3.002 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 12.835 -2.779 -4.320 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 6.601 -4.726 1.863 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 15.793 -9.211 -4.630 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 5.058 -6.920 2.802 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 -4.570 -2.749 2.190 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 4.153 11.064 -4.277 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 -12.838 1.912 -18.592 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 2.960 -2.923 -4.135 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 5.700 2.501 -3.358 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 -1.036 -18.165 -5.586 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 2.134 -7.146 -0.030 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 -7.045 -10.087 -16.734 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 4.941 -22.088 5.038 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 -2.418 2.471 2.714 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 -14.195 21.715 0.619 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 4.921 -1.807 -13.683 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 4.876 -0.241 3.315 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 -8.729 -5.032 -5.920 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 -5.920 -3.785 -3.276 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 -0.178 -1.595 0.619 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 -19.367 1.790 7.504 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 5.724 25.183 -20.825 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 2.464 -2.776 8.599 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 -1.060 -4.284 -9.813 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 4.885 1.310 -7.938 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 -7.815 0.068 2.255 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 0.396 -5.006 -14.021 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 -2.859 -3.128 -7.470 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 -4.717 5.441 2.108 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 6.108 11.600 -5.648 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 -11.751 13.582 5.144 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 -4.496 1.273 -4.195 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 2.762 -0.693 16.801 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 8.507 -16.376 14.889 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 4.037 4.864 2.433 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 5.545 -5.670 -4.106 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 1.530 17.283 18.756 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 2.537 1.563 -6.630 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 -25.568 25.678 4.310 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 -6.461 9.368 -2.810 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 -3.394 -5.301 4.471 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 -7.553 -6.567 5.800 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 -1.004 -9.163 5.337 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 -4.699 -2.347 -2.857 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 9.840 -13.980 -8.140 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 16.026 1.918 8.991 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 -3.148 -5.008 -1.709 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 1.781 -7.707 -4.990 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 8.221 -23.922 6.042 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 0.298 -0.870 6.883 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 -7.276 8.589 -7.288 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 -14.452 -8.587 15.872 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 2.454 -3.154 7.548 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 9.567 16.348 -14.132 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 1.160 13.165 -12.848 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 -1.135 -0.803 9.174 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 -10.695 3.068 13.130 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 -6.414 -1.788 14.507 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 -7.061 1.501 3.221 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 -3.421 -4.070 9.511 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 5.120 -2.449 -14.591 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 1.160 -3.794 -2.829 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 -15.217 -11.533 -2.413 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 -22.555 22.937 -13.440 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 -5.357 -3.180 -2.937 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 -7.730 10.335 -4.779 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 24.651 -37.241 -8.125 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 -4.577 -2.399 -1.409 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 -3.910 12.508 -4.983 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 9.869 18.963 10.070 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 -0.955 -2.303 1.918 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 -29.905 6.170 1.117 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 -2.211 -11.836 9.000 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 3.631 -2.941 -6.583 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 -21.946 -0.173 -4.418 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 12.017 -1.401 -13.639 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 -11.983 -3.489 -0.601 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 1.795 -10.162 -1.599 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 -10.837 0.476 1.320 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 -1.869 5.576 2.830 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 10.727 -16.400 1.314 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 0.493 1.633 2.496 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 2.053 -4.619 -0.021 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 14.685 -2.643 15.091 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 7.087 -17.479 -4.200 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 3.215 1.318 1.807 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 5.325 17.873 17.013 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 -5.951 1.509 -5.718 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 -2.065 3.787 -0.727 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 -5.849 6.321 -15.399 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 5.787 1.891 11.893 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 -5.005 2.170 1.792 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 0.658 -5.691 11.462 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 -25.825 5.550 6.954 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 -2.511 -5.615 -2.114 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 2.174 -4.515 -1.175 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 -13.170 6.680 -1.482 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 -2.632 -4.702 -3.165 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 2.545 -2.781 -8.798 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 -23.095 36.131 -2.508 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 1.569 -1.925 -4.054 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 -3.792 31.318 10.953 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 -7.121 16.620 3.082 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 -6.592 2.769 -0.326 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 -1.436 2.587 -5.813 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 -10.569 6.766 7.781 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 5.921 2.180 -3.526 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 -0.856 31.242 -6.271 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 15.862 -19.233 -4.544 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 -5.824 5.158 -6.841 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 39.140 8.856 -18.313 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 -0.577 -7.080 9.654 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 -3.867 4.950 7.878 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 -16.744 10.304 10.873 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 -17.875 2.103 9.169 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 -4.988 0.058 -3.299 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 5.681 2.553 6.573 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 3.804 6.283 -7.782 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 -5.388 -0.050 -3.783 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 6.232 11.298 3.993 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 -0.435 8.886 3.036 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 5.590 -1.646 -0.542 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 3.343 -2.175 0.064 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 -4.249 -6.845 -6.725 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 6.083 -0.017 -1.963 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 20.856 -3.044 -28.762 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 -2.585 -1.089 8.446 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 2.957 3.184 -1.956 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 1.855 -13.820 5.469 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 16.588 2.008 -16.140 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 -0.813 1.459 3.046 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 28.021 -8.222 35.586 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 -8.833 18.077 13.317 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 3.520 -3.472 -2.742 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 2.987 -7.997 2.023 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 -7.201 2.061 -5.950 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 3.332 -3.635 -5.977 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 -3.711 -17.713 -15.198 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 3.385 -4.982 -11.173 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 -8.682 -0.573 3.308 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 -13.286 3.456 -6.121 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 -20.361 -4.448 -1.891 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 -5.356 -3.079 -2.338 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 -7.939 -4.786 -2.476 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 1.849 -1.646 -10.127 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 0.934 -1.141 0.356 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 4.645 1.880 -11.312 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 4.522 4.152 2.081 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 0.031 -2.426 -0.945 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 -26.966 -2.745 -5.977 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 20.504 3.030 -13.444 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 3.330 0.758 4.902 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 9.170 16.217 26.612 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 4.334 -10.428 -9.190 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 -0.969 2.858 -3.556 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 12.351 4.578 -10.293 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 21.219 22.074 -7.759 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 0.363 -4.909 1.533 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 -10.458 0.160 -21.065 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 -10.126 8.463 0.230 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 -9.200 -4.320 -0.753 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 -2.128 -7.114 1.723 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 1.170 -3.758 2.655 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 -2.502 0.707 6.251 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 -12.962 -4.795 -3.536 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 0.825 3.891 11.852 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 0.281 -3.035 2.206 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 4.743 7.907 25.553 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 4.522 4.721 18.340 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 -4.453 1.157 -5.292 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 -1.518 -22.046 24.931 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 6.622 -1.017 2.685 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 -5.401 2.922 3.455 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 5.062 14.525 -16.040 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 12.279 19.805 -29.596 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 5.774 -3.027 -7.148 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 4.179 4.158 -7.071 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 -0.475 -0.118 8.992 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 -0.323 -0.315 6.423 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 -0.256 3.551 -6.513 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 0.652 0.591 5.739 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 1.397 -5.917 -0.071 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 16.410 -4.235 -13.245 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 2.269 31.781 10.248 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 4.399 0.667 -5.818 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 10.842 11.753 -10.890 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 2.060 0.600 -10.128 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 -1.727 -1.098 -4.950 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 3.012 4.589 -10.170 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 -1.926 4.609 3.637 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 1.442 -0.022 0.562 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 -2.102 -3.556 -10.609 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 3.206 4.418 8.522 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 -4.284 -10.001 2.285 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 -2.374 -8.969 10.145 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 -18.400 -12.481 -1.182 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 -3.656 -4.843 10.844 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 22.366 0.182 -26.701 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 -5.371 0.161 -1.924 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 -4.506 -2.745 4.653 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 1.221 3.649 7.767 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 -1.801 3.121 -6.673 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 1.786 -0.476 -0.431 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 -20.879 17.154 -13.208 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 1.066 4.120 30.212 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 2.722 3.775 4.521 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 10.454 7.469 -11.538 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 2.866 4.321 9.808 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 -4.650 0.343 -0.847 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 -2.846 -11.057 -5.729 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 -2.115 6.423 -8.996 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 -0.002 -4.701 -3.010 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 -1.711 0.561 -16.561 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 -20.917 -21.805 -12.752 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 -2.704 -2.097 9.271 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 13.541 -3.415 31.575 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 7.424 3.106 5.195 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 5.163 -4.977 4.007 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 1.683 -8.779 -1.014 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 11.340 -10.548 7.848 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 -0.797 -0.938 -1.829 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 -14.829 4.402 -20.405 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 5.665 2.753 0.711 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 -7.979 -2.778 0.044 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 -17.408 22.513 -9.073 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 9.390 14.209 -3.152 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 2.894 2.230 -4.874 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 12.333 -6.069 0.611 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 -7.916 6.693 8.656 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 -1.832 -0.355 -0.962 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 -10.217 0.539 3.729 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 6.402 5.235 -5.988 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 2.105 2.270 -4.429 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 11.846 4.526 -5.503 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 5.490 2.734 -7.275 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 -6.511 -1.823 -6.390 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 0.951 3.716 -26.860 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 -8.844 -21.374 19.972 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 -0.751 -0.867 -3.184 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 -11.886 -14.567 -15.364 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 2.163 5.741 0.662 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 -4.583 -1.365 0.387 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 -12.240 -7.447 -9.304 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 11.884 -22.222 -10.881 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 -1.786 -4.007 -3.549 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 -5.511 0.513 -1.135 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 -8.357 3.057 -14.102 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 10.255 -3.170 -0.468 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 14.033 -1.893 -9.743 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 9.375 -2.295 -8.364 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 -3.176 1.655 -1.318 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 12.184 -6.005 16.049 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 -5.009 12.496 -12.070 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 -2.380 2.586 5.994 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 -2.579 -3.177 -2.149 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 -17.438 -8.725 -5.517 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 -3.853 -2.165 2.842 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -1.793 9.567 11.783 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 21.851 2.308 -12.523 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 3.211 -10.519 -5.200 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 25.938 -6.214 4.075 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 -6.514 6.686 2.353 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 2.656 0.249 -3.099 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 -13.743 8.301 -5.278 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 18.344 -10.484 0.302 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 -0.234 5.002 3.851 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 1.569 2.989 0.837 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 -1.852 -0.480 1.797 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 -2.624 0.183 1.681 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 -6.888 -12.706 -9.865 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 -3.728 -2.543 -0.321 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 2.564 3.664 -5.737 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 -14.813 20.291 2.532 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 -2.859 3.023 -0.946 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 0.120 2.796 0.407 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 0.680 5.815 11.882 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 -16.973 13.867 -0.148 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 0.298 -2.186 2.025 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 7.716 3.088 -21.746 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 -17.077 16.636 7.593 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 1.601 2.541 0.889 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 -14.975 -19.888 4.198 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 4.644 -8.457 -4.209 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 2.014 -0.940 4.979 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 20.936 14.513 8.165 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 -36.828 17.414 34.760 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 4.320 -0.621 3.346 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 3.186 -6.444 10.825 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 -18.976 -19.931 -15.033 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 1.269 3.187 -1.353 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 -1.269 0.949 -4.559 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 -8.338 -7.661 -16.695 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 -2.351 8.456 1.253 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 -3.147 9.283 -4.010 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 1.311 6.968 5.894 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 2.018 -1.040 1.905 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 -2.256 4.788 -12.242 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 -9.573 -5.786 0.073 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 -0.144 2.051 -6.634 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 13.182 -3.491 10.447 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 -18.390 -9.675 3.012 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 0.950 0.917 7.629 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 12.027 -4.200 0.750 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 14.931 7.925 6.552 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 -1.778 4.094 3.249 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 0.290 23.556 -19.126 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 -1.058 5.403 8.830 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 -3.962 2.369 -4.655 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 -0.937 -3.475 -7.908 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 -13.137 19.989 4.912 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 -0.564 3.598 1.819 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 -2.597 -17.522 7.502 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 -11.749 2.025 -5.359 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 0.928 7.255 6.923 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 7.973 12.367 3.702 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 -14.873 13.337 14.466 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 2.038 -0.512 2.752 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 8.598 -5.911 0.878 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 0.285 -0.605 4.536 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 -2.598 5.759 9.010 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 4.863 -0.260 -13.258 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 -9.265 -0.434 11.929 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 4.522 2.325 6.486 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 11.447 1.379 -4.457 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 4.486 -4.919 -8.974 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 3.218 -4.670 3.170 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 0.990 15.820 -5.371 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 -5.322 1.248 9.596 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 2.465 1.463 -5.850 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 -0.471 -27.145 8.406 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 13.036 14.804 -11.939 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 6.755 -3.589 0.269 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 -0.051 -7.403 -0.975 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 -2.259 -6.594 1.565 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 0.643 3.896 -3.974 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 -11.059 -10.617 -2.868 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 2.775 9.257 3.255 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 2.446 -0.425 3.493 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 7.236 -25.240 9.106 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 -0.866 9.892 23.326 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 -8.007 -4.772 -1.090 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 -8.435 -6.918 -12.621 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 -34.083 7.478 27.514 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 -6.928 3.857 -7.404 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 -1.088 2.289 -9.262 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 -0.586 1.379 -1.586 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 -7.313 2.522 -2.723 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 -15.709 7.323 13.847 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 4.606 0.129 -7.184 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 1.529 -1.132 -10.939 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 17.118 -10.286 6.142 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 -33.476 -19.900 21.182 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 1.471 0.153 -1.759 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 6.298 -21.646 1.079 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 5.318 0.637 7.638 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 -8.864 -2.676 7.781 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 -14.142 11.228 14.980 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 -3.607 -22.988 1.295 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 3.803 0.567 1.233 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 -1.009 0.760 9.943 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 3.939 4.255 -6.146 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 4.105 4.879 3.574 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 7.834 -23.955 -10.817 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 10.343 1.033 2.936 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 1.405 4.539 0.511 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 26.895 -1.491 -14.173 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 -1.002 -6.857 2.887 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 0.647 -3.358 -1.940 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 1.025 -7.593 -0.145 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 0.377 -6.316 6.426 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 1.455 -0.457 -2.379 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 6.877 12.043 -4.753 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 -5.296 -14.854 -7.708 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 4.008 -4.217 -0.050 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 -3.533 -6.313 -0.752 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 0.093 -7.495 -2.076 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 4.095 1.843 5.409 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 9.459 3.058 8.759 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 -40.295 5.392 10.365 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 -6.034 -2.796 -1.536 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 -7.647 -0.182 4.234 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 -13.563 1.184 -5.342 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 4.086 0.758 0.774 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 -11.895 11.394 -0.536 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 -5.181 4.161 -13.048 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 5.410 5.509 -1.752 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 0.798 6.772 -7.623 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 32.766 12.090 -11.268 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 1.424 4.929 -8.389 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 -11.812 21.186 -13.887 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 -2.707 2.607 7.150 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 8.488 2.926 -3.360 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 11.376 -2.383 -0.062 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 4.911 11.502 -7.612 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 3.013 3.362 1.019 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 -12.758 24.180 -2.539 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 -4.180 0.182 -3.038 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 -4.894 3.564 2.505 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 12.943 -10.019 3.223 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 12.684 -15.893 6.614 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 -8.819 3.552 -5.806 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 3.767 20.652 -2.212 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 0.549 17.570 -13.936 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 -1.455 4.181 -2.882 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 -3.455 -1.946 -7.202 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 7.263 1.758 3.177 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 -2.487 -0.481 -3.002 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 -18.177 -2.854 11.447 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 -1.742 0.050 2.887 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 -2.785 0.104 2.801 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 -1.821 4.017 6.931 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 0.773 -11.459 8.021 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 -4.953 2.521 -2.313 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 -8.945 3.541 7.190 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 -11.239 3.438 -3.789 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 -1.447 -5.095 -4.224 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 -17.545 -2.620 -3.033 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 -14.938 -1.120 -14.654 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 2.549 1.873 -1.783 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 16.246 -8.194 -22.994 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 -3.845 7.067 -1.602 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 -2.574 -0.145 -0.618 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 -10.611 2.204 8.931 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 -4.747 11.828 -3.834 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 -1.619 4.687 6.372 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 24.873 -10.771 5.672 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 -10.813 4.047 3.197 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 2.841 1.249 -3.589 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 -11.401 2.792 -0.540 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 7.919 0.717 -4.300 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 3.494 -2.306 2.397 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 5.826 1.011 1.272 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 12.162 1.494 2.513 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 2.521 -3.844 4.463 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 1.537 -1.872 5.287 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 3.399 1.405 -15.882 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 2.206 7.001 -0.787 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 0.978 10.305 -18.933 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 14.731 19.277 1.035 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 -0.498 -1.756 -6.909 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 -4.467 -5.447 -6.367 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 -2.476 0.200 -5.044 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 3.282 2.171 -5.659 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 15.415 -11.833 -13.392 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 -8.342 -1.454 -3.579 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 -6.372 -0.777 -0.470 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 1.548 -7.685 1.604 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 4.857 7.232 -1.230 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 2.234 5.656 -4.401 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 -9.390 8.776 -4.942 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 9.043 -13.809 -16.881 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 4.524 0.959 -2.584 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 -10.337 -6.642 -1.340 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 8.905 15.086 0.462 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 2.206 0.001 -2.161 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 -0.717 -9.781 -4.472 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 3.737 -21.591 -5.309 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 -2.203 -8.679 -5.830 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 -14.047 -8.529 12.878 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 15.855 -11.609 2.415 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 2.883 -1.848 -5.382 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 -19.399 -0.646 -3.934 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 -14.019 11.949 6.028 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 -4.527 1.823 -2.135 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 -11.871 -2.907 3.053 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 2.996 -6.431 -10.388 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 0.326 4.056 1.868 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 2.416 -13.911 -10.625 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 8.615 -13.198 1.346 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 0.482 -2.785 -0.558 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 15.370 -10.021 1.732 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 3.193 -1.671 5.292 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 1.124 4.002 -0.274 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 9.575 1.551 -6.936 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 -11.234 -14.133 -17.653 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 0.387 -0.950 -1.198 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 20.776 -4.873 5.234 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 -2.980 -11.296 6.985 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 1.024 3.324 0.015 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 -4.339 8.670 1.107 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 -1.693 3.275 6.084 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 -2.556 -1.505 -4.017 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 2.729 1.818 -5.566 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 0.375 -20.291 3.202 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 -4.563 1.944 3.289 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 -5.228 -10.779 0.429 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 -5.295 -0.469 -1.935 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 3.854 -0.715 -1.138 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 -10.160 6.956 -3.864 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 -24.790 14.105 -7.464 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 -3.569 -1.135 -0.049 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 -22.199 -18.969 -32.124 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 29.217 -28.849 -15.947 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 -2.063 5.559 2.315 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 -16.228 5.361 11.263 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 32.061 4.912 -21.324 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 1.518 -4.347 -2.967 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 -6.274 -0.499 -10.069 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 1.564 14.770 -1.477 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 -0.407 8.877 4.352 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 2.138 4.718 -12.297 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 -17.652 10.074 6.297 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 -3.144 0.579 3.820 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 -8.322 -3.397 22.801 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 11.317 8.404 20.089 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 -1.546 3.568 -1.097 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 8.439 3.947 -3.954 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 -14.107 -4.845 16.404 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 -1.108 -5.276 -0.378 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 10.925 -29.449 -7.630 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 16.517 15.890 -9.094 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 -2.030 -0.476 2.462 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 -16.300 -6.238 12.108 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 -0.885 -6.086 11.640 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 -1.112 3.397 -1.468 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 -5.000 7.225 10.382 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 10.788 -9.739 -13.908 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 6.130 2.220 4.868 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 -9.136 19.433 -11.214 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 5.414 14.643 -15.773 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 -4.436 1.484 2.208 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 5.137 2.768 6.272 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 -8.626 5.289 13.294 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 -4.987 1.835 1.906 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 -26.047 -13.565 -42.887 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 3.799 -16.216 9.540 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 1.704 1.469 2.268 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 24.105 -25.475 24.131 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 -19.655 6.351 5.853 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 -3.406 -1.961 -0.265 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 -4.800 0.097 4.159 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 -16.788 -0.849 -1.863 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 -5.219 -2.724 -5.863 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 11.212 -14.036 -15.217 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 -8.282 -8.916 10.471 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 1.431 -4.299 -2.149 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 -0.832 -13.129 -4.092 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 -7.394 12.635 -2.529 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 6.421 4.570 1.190 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 14.223 -5.940 11.924 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 -4.413 11.785 4.337 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 -4.265 -0.177 2.023 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 -15.187 5.875 -7.179 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 -10.768 12.176 -2.441 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 6.836 0.295 -3.969 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 -11.248 23.787 11.395 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 -8.735 22.740 11.620 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 2.628 1.254 1.146 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 -0.523 4.203 -16.450 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 6.702 14.530 6.614 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 3.169 -0.271 -2.987 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 20.572 0.515 -1.700 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 8.050 20.077 18.160 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 3.553 6.865 6.519 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 7.632 -1.594 -2.939 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 2.836 -0.202 13.095 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 0.800 2.438 -4.201 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 -12.436 -10.310 -10.839 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 4.133 5.611 0.035 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 4.693 -3.168 4.322 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 39.076 4.158 -5.050 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 3.905 -0.878 2.708 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 3.927 1.495 4.609 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 16.662 10.803 -4.905 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 15.335 8.676 10.501 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 5.496 3.614 2.599 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 -5.697 7.345 -1.578 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 0.965 -2.680 14.608 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 1.284 -0.080 2.405 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 -12.130 8.416 -3.102 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 5.717 -1.709 18.351 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 2.883 -2.948 -6.318 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 18.989 -10.280 0.252 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 -4.609 -1.039 10.628 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 2.574 2.029 0.485 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 -14.527 -15.875 -14.782 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 7.332 3.979 17.612 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 -5.327 -4.618 -0.008 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 7.448 -8.778 0.116 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 -20.892 7.140 -16.056 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 2.166 0.155 -3.146 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 3.210 -0.042 -1.695 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 8.274 -3.494 3.054 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 -3.846 -0.794 -7.665 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 -12.461 11.135 7.600 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 -11.297 1.608 -22.088 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 -0.608 -3.020 -6.881 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 -1.054 3.975 -28.108 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 -10.995 -1.507 -3.473 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 -2.020 -0.128 2.557 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 -4.710 -5.120 21.801 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 8.058 -15.359 15.401 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 5.872 2.652 0.965 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 21.905 -7.513 -16.369 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 5.715 21.234 0.572 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 -1.324 5.077 2.048 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 -12.785 9.445 11.678 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 18.736 0.561 -2.728 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 2.556 5.974 1.255 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 -9.302 13.156 -5.133 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 -14.604 -0.132 -1.327 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 -4.328 -1.043 -0.775 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 -2.377 -10.865 11.693 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 -6.630 -1.397 7.701 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 -0.437 0.943 2.853 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 2.383 -20.133 8.479 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 8.611 2.836 -6.103 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 -5.668 2.408 5.574 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 -6.276 13.139 6.964 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 -20.707 -20.183 -12.194 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 -6.472 4.790 -6.578 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 5.393 0.655 8.255 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 -7.399 17.031 -16.528 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 -4.513 3.832 -0.422 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 -15.015 -0.406 16.446 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 -20.687 -4.017 2.019 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 5.273 3.045 -1.480 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 12.724 -9.786 6.136 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 -1.840 9.033 -5.233 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 4.929 -1.318 0.365 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 0.970 4.859 -19.585 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 -6.139 0.283 -5.657 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 -1.758 3.378 -5.395 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 1.677 8.760 -1.732 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 -10.567 -18.283 2.638 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 2.244 3.248 -0.372 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 -1.999 3.251 -10.146 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 -1.168 6.180 -9.372 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 3.281 2.620 2.770 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 -5.737 -27.404 2.164 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 -15.018 15.350 22.889 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 -1.523 4.510 -3.776 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 0.872 -1.705 -10.525 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 -2.949 11.197 4.611 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 -2.398 0.385 3.921 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 -18.197 19.529 18.169 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 8.182 -10.104 8.555 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 0.748 4.268 1.585 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 4.630 0.394 20.965 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 -1.552 6.013 -21.294 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 2.691 -7.192 -6.197 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 -5.642 -20.699 -31.634 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 -12.039 18.524 9.899 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 3.968 3.975 -2.537 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 6.529 0.840 -1.118 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 -0.925 1.836 -0.638 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 1.659 -5.884 -4.017 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 -21.289 -4.537 -2.728 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 17.331 10.451 5.984 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 2.642 -3.056 -9.710 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 -7.037 6.089 -4.609 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 7.661 -10.470 -19.033 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 7.207 0.624 -2.611 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 7.747 -2.892 -12.490 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 3.660 -0.174 7.611 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 2.876 -2.930 5.715 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 -8.075 -13.965 6.159 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 -14.567 10.410 -20.631 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 -3.098 2.014 0.065 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 -0.864 -34.605 19.802 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 -12.104 13.013 -7.436 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 1.940 7.077 3.040 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 0.225 9.407 10.619 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 15.640 2.071 -16.064 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 1.299 -2.293 1.148 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 12.517 4.655 0.645 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 0.403 -4.516 9.507 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 -2.943 1.897 -1.676 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 -12.276 12.952 2.648 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 -1.497 3.304 -0.916 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 4.409 -0.643 -0.011 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 8.068 -3.215 -1.236 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 -5.190 9.532 -7.967 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 -1.705 -0.950 8.033 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 -10.631 -6.831 15.684 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 -6.455 -5.334 -6.880 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 4.226 -1.348 -1.605 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 -37.808 -10.303 33.214 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 -18.204 -6.390 14.078 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 -2.127 -1.992 -2.801 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 8.835 4.264 11.153 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 -5.084 15.152 -11.294 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 1.214 -2.878 -1.706 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 -9.873 -1.027 34.650 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 -5.944 -1.756 10.563 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 2.495 4.040 -0.542 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 2.632 -17.164 0.233 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 -17.313 11.554 3.963 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 4.933 1.094 -6.630 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 -10.833 -0.757 -12.357 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 0.364 -3.173 -10.860 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 1.987 3.780 3.010 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 10.770 -5.399 1.661 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 0.253 9.823 -6.320 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 -1.340 -1.462 -2.209 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 15.567 0.750 25.570 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 10.869 4.696 11.073 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 -3.158 7.698 5.261 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 3.474 6.780 0.859 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 -6.802 6.502 2.198 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 3.963 -3.328 1.850 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 9.955 -25.114 16.779 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 3.762 -16.542 13.648 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 -3.465 -0.225 8.993 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 7.730 17.693 9.489 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 -9.721 -14.806 7.972 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 2.601 5.466 -2.916 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 10.615 7.982 -7.867 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 3.366 -7.234 -1.256 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 -1.390 -0.896 -0.797 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 -2.554 -4.069 -4.214 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 7.773 31.358 30.294 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 -2.662 -2.141 2.810 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 -23.634 -7.208 11.487 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 -6.205 7.974 -14.128 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 -2.131 5.492 1.204 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 19.292 -20.089 10.314 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 5.616 -3.958 4.479 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 4.224 -2.315 3.207 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 -3.762 -15.321 5.150 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 7.514 0.312 -6.544 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 6.810 -6.480 -6.288 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 20.401 8.714 -11.823 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 -13.764 -30.769 4.288 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 3.017 3.765 -1.664 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 13.098 1.707 3.731 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 -2.208 9.731 -6.645 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 -0.969 -4.886 2.552 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 7.263 -1.636 0.725 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 8.027 -1.536 2.146 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 -0.945 2.915 -5.253 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 -17.921 -12.162 -8.922 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 0.988 28.162 -13.588 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 -6.282 10.806 -1.715 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -12.420 -3.499 5.560 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 -10.372 10.690 5.331 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 -0.625 -0.731 2.485 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 -4.571 1.387 -4.369 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 -6.867 -1.621 0.546 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 0.326 1.200 2.510 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 7.369 16.844 -1.548 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 -2.146 -3.611 -11.553 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 3.606 5.273 -5.427 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 14.854 7.041 2.511 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 1.541 -4.596 -0.331 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 -4.102 3.182 3.191 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 5.200 7.988 -20.785 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 -5.674 -11.596 -1.343 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 6.039 -1.703 -1.682 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 13.498 3.252 -1.440 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 14.646 1.989 6.848 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 -2.375 -2.229 0.200 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 3.328 24.947 -1.228 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 -6.321 3.734 20.291 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 -7.698 2.477 -3.142 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 0.740 -8.303 3.549 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 -11.603 -10.570 -3.885 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 -4.537 -2.043 3.274 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 -7.615 7.161 35.256 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 -9.099 -1.321 -3.729 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 4.919 2.581 0.137 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 -4.776 -10.589 -18.786 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 -15.819 17.907 4.311 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 -1.127 -3.918 5.284 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 -0.772 11.909 -20.404 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 26.500 1.563 -20.599 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 -1.661 -6.800 5.443 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 4.117 0.151 6.295 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 1.891 -2.446 1.081 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 -2.741 1.847 -3.632 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 17.095 -9.162 2.951 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 -10.497 4.699 9.356 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 0.691 -7.754 -2.613 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 4.619 11.496 24.913 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 -22.284 -12.989 -4.217 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 1.763 4.669 -3.060 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 -2.590 24.593 -4.047 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 -18.001 9.090 10.535 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 1.171 -1.411 1.777 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 -16.939 -10.627 -0.309 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 -18.505 -12.711 -1.471 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 -1.743 1.693 3.659 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 12.696 -22.564 11.084 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 -8.060 21.214 4.857 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 -4.758 4.346 4.476 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 13.562 -13.359 3.456 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 -18.638 -0.057 -16.184 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 1.777 -0.273 0.250 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 18.114 0.286 3.573 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 2.871 -10.935 19.317 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 -0.467 -3.132 -1.488 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 9.254 -21.369 -2.709 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 -9.631 17.546 2.976 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 3.026 3.301 -1.158 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 13.456 12.900 -2.346 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 12.656 11.035 -1.413 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 -0.415 -0.948 5.427 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 -0.719 -3.344 5.841 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 -14.315 -38.569 7.215 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 -1.189 -0.818 2.969 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 -1.517 8.250 10.875 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 2.421 1.608 -1.907 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 5.324 -7.196 -5.444 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 -4.647 0.125 -9.427 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 18.365 -0.936 -18.125 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 2.024 -0.571 -0.062 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 5.898 2.095 -1.673 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 16.180 -16.687 25.464 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 -4.893 -5.551 -1.994 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 13.338 -29.429 24.073 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 -6.596 -14.027 -18.085 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 0.970 -1.861 -3.015 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 20.699 -13.231 7.081 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 4.692 -1.203 -13.153 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 1.034 -4.968 -0.746 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 5.568 0.151 1.391 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 -3.054 -3.453 -10.167 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 -1.723 2.373 1.507 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 -5.184 6.415 -0.880 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 8.090 -4.875 2.486 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 -6.767 0.559 4.177 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 -6.707 24.810 -8.826 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 -30.141 -0.918 20.883 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 -5.767 4.617 0.934 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 3.115 1.969 -13.783 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 10.297 13.725 8.878 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 -3.610 -1.841 1.299 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 -1.212 8.273 -3.620 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 -0.883 -7.751 -9.429 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 -4.085 2.304 -6.212 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 -11.949 17.804 -5.807 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 1.682 1.887 11.559 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 3.653 -4.859 -0.177 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 8.681 4.888 6.883 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 5.013 7.400 1.797 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 0.654 5.646 2.645 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 1.484 -9.367 -8.884 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 14.271 6.189 -3.058 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 -2.465 1.578 3.624 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 11.701 1.248 4.737 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 -0.032 -11.153 -13.037 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 3.858 -0.167 -3.500 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 -9.273 13.897 0.633 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 12.299 6.534 24.043 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 3.087 -5.867 -3.354 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 12.645 -10.679 -6.287 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 6.484 -18.071 14.001 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 -2.076 5.868 0.710 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 32.409 -2.706 -20.945 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 7.588 13.715 16.276 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 -2.274 -3.644 -1.887 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 11.188 3.157 -7.373 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 -3.906 -0.284 -14.431 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 1.200 -0.879 0.976 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 -9.209 -3.745 -14.781 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 -8.482 6.109 14.857 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 4.481 0.833 -3.130 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 -1.050 18.436 -21.461 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 16.339 -5.826 -9.526 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 3.138 -0.869 -6.235 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 15.358 14.761 -28.413 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 1.329 10.993 -14.090 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 7.459 1.303 -1.513 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 8.427 -2.217 -15.627 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 7.961 -13.818 -8.091 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 0.684 2.392 9.530 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 1.859 3.531 4.320 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 -3.490 -1.330 8.832 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 4.765 -0.280 -4.280 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 -26.450 -8.659 -2.172 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 20.583 -0.157 -9.746 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 -2.197 -6.880 -1.403 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 -30.884 -27.290 6.251 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 20.551 2.383 16.911 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 -5.491 5.194 -6.379 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 7.585 6.391 16.257 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 -7.204 39.578 -3.207 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 -2.257 -0.610 -0.364 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 0.172 -11.365 -15.627 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 16.808 -18.033 -4.924 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 -6.619 -4.327 -1.400 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 2.903 0.299 -1.118 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 -12.532 -9.080 -19.432 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 5.214 3.927 1.571 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 -12.003 -23.602 28.879 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 8.559 -1.493 -6.374 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 2.313 1.983 -1.942 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 -0.725 -2.275 -9.661 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 5.677 7.019 -0.828 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 -0.192 5.507 -2.059 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 -8.009 -0.767 15.049 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 14.781 12.934 -13.748 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 -2.234 -1.443 6.021 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 -12.435 9.099 13.290 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 15.150 -18.313 7.535 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 -3.219 -3.038 7.737 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 3.746 -5.283 2.671 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 29.092 -10.720 -14.136 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 -3.309 0.671 -4.420 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 -8.909 1.549 -14.574 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 -5.058 -3.356 24.763 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 -3.969 -5.009 -1.137 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 -0.519 0.487 4.157 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 13.404 18.323 19.975 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 -3.897 0.907 1.775 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 -2.185 2.365 -0.985 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 -20.858 19.506 8.158 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 2.528 -2.740 4.011 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 5.089 2.477 1.760 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 10.365 16.872 -6.344 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 3.770 -2.617 3.092 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 -23.577 -3.842 19.975 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 -14.978 -6.341 7.093 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 -7.612 3.798 0.021 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 -0.913 1.640 15.585 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 -9.200 -17.966 -10.530 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 0.746 -1.625 3.231 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 1.360 -5.441 6.253 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 3.587 -4.553 0.548 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 -3.230 2.254 -9.717 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 -7.561 -0.509 -14.814 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 -4.523 10.105 -6.762 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 1.323 -0.026 -2.452 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 0.461 3.663 -2.812 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 -5.702 30.363 3.632 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 5.006 5.144 -0.857 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 5.473 1.465 7.686 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 29.833 -0.612 -6.757 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 -2.259 -3.134 2.071 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 1.916 -11.322 2.692 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 19.416 19.328 -16.393 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 0.079 4.439 0.170 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 5.573 7.819 -15.721 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 6.666 -18.636 -2.672 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 6.318 4.361 7.168 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 -14.312 17.884 -12.057 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 -20.285 -8.782 -14.534 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 0.950 -1.572 -3.689 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 -2.427 -7.147 -1.785 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 -3.022 -13.036 1.219 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 -0.035 -0.116 -0.021 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 16.233 -2.820 14.781 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 -19.676 -0.408 -13.772 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 3.399 1.291 8.544 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 -1.966 -2.522 4.433 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 2.259 16.815 -20.885 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 4.193 -0.605 -1.245 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 3.672 -5.820 -0.930 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 5.336 -8.593 -0.010 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 2.698 -1.228 -2.450 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 -2.565 -6.795 -18.619 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 4.970 4.753 -11.004 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 -2.244 -2.532 1.908 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 2.791 2.873 7.546 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 12.978 -7.847 -9.601 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 -2.920 0.350 6.376 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 -14.559 8.501 2.800 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 16.611 -12.262 -3.845 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 3.585 -8.893 -0.908 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 -11.086 6.666 -3.783 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 -10.348 10.569 -10.085 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 0.625 -1.992 -0.090 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 14.287 0.553 15.344 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 35.941 -2.351 -7.744 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 4.483 0.957 -1.819 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 6.101 1.530 10.806 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 -2.793 8.252 17.558 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 3.414 -2.300 1.226 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 -0.854 -7.322 -1.242 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 10.540 10.609 5.064 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 -4.623 3.892 3.396 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 -7.672 2.692 0.548 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 3.938 9.698 17.776 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 -7.569 7.472 0.397 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 -26.580 8.035 -1.857 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 -3.108 -2.795 -10.759 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 -1.179 -2.249 0.423 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 14.027 -7.406 14.110 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 1.330 6.154 -0.366 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 5.713 -2.506 7.772 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 -3.802 8.298 7.873 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 1.205 -12.865 0.491 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 -2.384 3.293 -1.888 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 8.683 19.273 -29.933 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 8.963 9.086 -7.414 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 -4.036 3.643 4.790 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 -4.062 28.399 1.410 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 0.909 10.396 1.855 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 -1.047 -1.550 7.189 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 10.930 -16.851 -0.050 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 10.891 10.214 -16.591 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 1.149 1.154 5.778 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 -1.209 -5.336 13.198 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 -8.980 -2.035 15.472 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 5.526 1.850 0.207 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 -18.420 -26.575 1.550 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 11.933 8.086 1.611 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 -1.615 -2.195 -6.696 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 -15.218 -2.911 -9.518 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 9.884 10.490 -3.221 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 -1.953 -2.412 -5.577 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 8.639 -15.161 6.933 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 7.271 25.084 6.478 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 1.221 -5.926 -2.075 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 6.220 -5.951 -3.119 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 -6.440 -7.279 -0.755 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 -0.913 -0.246 1.178 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 -3.105 10.211 -2.623 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 -10.150 13.427 8.631 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 -0.847 -4.953 -3.619 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 27.326 3.160 -9.165 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 -14.979 17.402 9.153 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 -1.319 -0.471 0.830 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 -6.661 -3.295 -12.974 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 2.218 1.540 14.028 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 -1.008 -3.994 2.589 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 15.471 -7.567 17.536 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 22.870 -4.107 18.556 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 1.170 3.575 -1.728 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 -2.234 -10.285 -11.106 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 12.262 4.225 -7.105 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 1.617 2.203 0.515 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 15.559 13.200 4.905 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 -4.898 -1.274 16.128 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 -6.451 2.555 6.625 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 38.732 3.972 14.521 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 -10.706 1.305 25.607 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 3.144 1.518 -0.618 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 6.461 -2.839 2.218 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 13.115 2.733 -5.769 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 2.257 3.013 -3.432 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 0.019 -4.643 -4.763 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 2.074 1.650 5.927 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 4.240 -1.242 -7.027 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 -0.473 -3.404 0.991 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 2.794 -9.197 -9.329 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 5.202 5.824 -1.531 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 10.736 -22.065 17.160 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 3.770 -7.965 -20.867 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 2.653 -2.116 0.818 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 -2.256 -11.150 -12.340 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 19.455 -1.641 11.007 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 3.244 1.729 2.177 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 1.103 18.856 10.653 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 -17.954 -10.275 3.188 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 -4.304 0.922 3.008 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 -3.189 -16.367 10.811 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 -24.782 -7.224 3.195 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 2.233 5.935 -3.486 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 23.352 -1.009 -26.883 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 10.109 9.785 -2.495 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 3.713 0.048 1.271 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 -3.364 -8.786 -1.153 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 0.097 11.026 3.030 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 6.660 -2.571 1.759 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 9.832 -7.491 2.968 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 6.257 1.473 8.432 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 -2.609 -3.470 -0.520 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 6.286 -7.438 13.165 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 10.210 12.311 18.702 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 -1.474 6.961 5.410 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 1.020 20.915 -2.242 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 -12.450 8.256 2.891 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 7.612 2.583 6.368 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 -6.933 -14.742 -26.354 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 -3.600 6.019 15.550 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 0.450 -1.065 -3.012 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 0.069 2.568 -10.460 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 -21.394 -23.949 20.934 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 -1.133 -3.744 0.666 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 -16.713 -3.690 9.322 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 -10.082 -5.590 23.068 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 3.395 -3.740 -1.007 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 7.918 9.317 -6.420 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 -2.169 -8.576 -0.061 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 1.064 4.854 1.082 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 1.748 5.991 -11.653 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 -5.731 28.197 -5.481 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 2.898 5.389 -2.281 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 24.831 5.903 -13.528 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 22.375 -17.409 17.232 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 4.274 -2.400 -0.743 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 12.675 -2.168 -7.408 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 8.351 -2.819 -3.972 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 -5.695 3.005 -1.047 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 -4.978 11.325 -9.293 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 4.743 -5.994 -23.728 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 -3.551 -1.676 -7.949 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 -1.771 5.792 -0.367 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 5.367 -4.671 -8.547 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 2.471 1.678 -7.027 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 12.840 4.917 -12.754 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 4.723 11.299 -4.589 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 1.387 -0.084 1.675 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 -1.862 9.477 -6.982 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 15.199 -13.259 13.590 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 1.108 -0.907 6.025 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 3.657 -2.199 4.704 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 -9.835 3.333 -14.849 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 -0.435 3.266 -0.075 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 -6.151 1.309 7.872 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 -10.421 -13.335 -2.606 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 -0.789 -3.826 6.122 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 17.960 -25.317 16.302 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 -10.858 9.721 -11.845 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 0.776 3.177 -0.023 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 -4.942 7.127 -10.482 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 5.439 16.569 -1.876 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 5.903 4.535 3.028 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 4.511 5.778 -0.852 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 -9.569 18.220 -2.778 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 1.934 0.792 -0.877 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 15.278 9.895 10.882 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 5.767 -19.470 2.114 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 -8.918 -1.044 -1.333 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 -10.919 4.013 -0.992 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 -1.958 25.651 7.517 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 -2.717 -0.558 4.353 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 0.402 2.642 9.919 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 -4.966 0.435 8.077 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 -1.936 3.492 -2.997 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 -8.185 9.372 -8.769 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 -6.265 1.015 -15.806 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 -2.682 -4.278 4.739 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 -7.831 -16.011 1.116 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 14.452 -7.308 1.628 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 -1.431 -7.996 -0.007 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 -9.284 -19.528 0.514 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 1.260 1.549 -0.311 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 0.830 -4.081 5.504 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 -21.274 7.827 -1.822 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 10.401 12.777 -0.720 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 -5.778 1.026 4.118 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 -23.943 1.163 -23.386 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 2.416 -10.820 0.997 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 -8.008 3.010 8.205 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 -13.699 17.574 -9.321 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 8.883 -2.391 12.228 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 -2.975 4.391 -1.834 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 -10.501 -15.059 -15.213 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 -10.906 -15.100 -15.542 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 -0.544 -1.496 -7.490 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 -6.723 6.981 14.848 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 -2.545 -0.901 -17.573 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 5.224 -4.741 0.725 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 3.321 -7.019 3.879 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 3.294 -11.493 -1.036 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 -2.258 3.641 1.405 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 9.037 -9.507 -1.775 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 -9.078 2.569 5.286 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 -5.133 3.822 1.895 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 -5.371 1.686 -1.966 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 0.261 17.521 -14.051 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 0.888 -3.765 3.864 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 -24.652 10.982 -2.341 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 0.474 3.814 -34.783 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 -4.451 -3.531 3.299 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 -1.933 -0.571 12.131 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 -12.208 0.626 1.292 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 6.258 -0.598 -4.630 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 -9.023 9.084 3.455 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 -20.005 -5.136 -13.835 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 3.591 1.322 1.922 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 -18.166 -2.277 -2.984 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 29.997 11.467 -7.610 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 4.554 4.977 0.805 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 -9.431 13.764 -3.835 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 21.718 5.177 4.559 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 3.394 -8.194 2.973 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 4.392 1.776 5.250 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 4.543 2.487 5.148 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 -1.684 1.371 10.324 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 -17.559 -9.587 12.212 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 -10.676 0.665 5.413 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 0.616 4.679 2.372 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 5.463 -8.522 -22.308 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 -1.544 -5.843 31.099 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 -4.757 5.231 0.106 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 -3.368 -1.389 9.453 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 -3.227 18.529 7.278 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 3.127 7.528 -0.326 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 16.907 12.336 -11.290 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 2.750 -12.764 -18.347 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 2.425 -4.111 -2.407 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 -6.284 -12.897 -7.081 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 -10.534 8.292 4.229 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 4.179 4.573 0.638 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 22.182 18.922 -9.277 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 2.798 12.754 -11.936 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 -2.333 -0.378 -2.582 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 23.737 28.387 -12.274 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 -38.236 14.383 6.225 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 -0.286 3.082 1.259 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 1.826 -7.268 2.193 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 6.077 -23.717 -1.695 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 3.398 -7.263 0.203 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 20.616 -12.961 -7.393 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 -17.219 -4.346 6.620 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 -1.439 1.253 0.495 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 -4.393 -1.900 0.319 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 -13.024 -8.428 1.558 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 3.062 1.504 -0.040 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 13.824 1.051 -8.949 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 -35.192 8.217 7.608 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 -4.761 2.047 4.581 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 -5.148 -13.357 17.818 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 -8.638 -28.127 10.898 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 0.315 -3.087 -6.046 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 0.177 -4.973 -0.149 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 -10.531 8.545 8.786 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 -2.990 -0.720 9.302 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 -21.507 -9.049 -9.766 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 0.986 -10.182 31.063 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 5.443 -1.103 0.067 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 1.382 -24.914 9.307 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 -1.184 -19.117 5.125 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 -5.572 2.962 -2.970 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 5.908 1.421 -8.260 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 -2.147 1.948 -4.308 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 2.756 -4.567 4.246 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 2.072 25.540 -6.784 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 -1.804 21.432 -8.987 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 -1.609 0.336 -7.837 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 -22.752 -9.373 15.731 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 1.339 -4.122 -10.478 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 -7.945 4.409 -0.371 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 -1.230 -0.139 -2.841 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 -3.378 4.107 -1.556 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 -0.783 -3.926 -1.854 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 14.583 8.728 -7.747 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 4.386 -6.038 10.097 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 -3.026 5.007 4.834 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 -1.207 4.329 8.424 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 2.812 8.832 4.031 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 -2.101 -0.082 -2.340 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 1.022 6.083 -6.900 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 -2.504 -2.562 -1.286 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 -4.679 2.270 2.545 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 9.482 5.047 -11.357 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 -19.477 -8.070 7.952 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 4.347 0.232 -2.016 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 -2.175 -1.740 -0.052 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 13.974 5.697 -3.200 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 -1.057 1.632 -8.201 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 2.407 -3.871 -5.749 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 9.669 -5.718 -5.039 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 -1.304 4.089 2.763 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 -26.978 -5.626 -22.121 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 -8.186 1.863 -10.988 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 6.480 -8.920 2.507 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 -12.498 -14.154 -0.973 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 32.161 -11.155 5.328 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 -2.642 -8.224 -0.484 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 -14.984 -3.147 -13.838 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 -6.723 -6.101 -14.429 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 4.582 4.827 6.641 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 3.381 7.748 -4.550 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 1.879 -10.068 28.030 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 5.061 -0.016 -0.484 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 1.306 -1.001 -22.335 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 -1.242 -1.484 -37.976 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 2.147 0.892 -3.522 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 5.720 -8.946 -1.484 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 -11.808 1.421 2.496 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 -2.523 -8.497 -3.038 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 -15.681 10.844 5.929 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 1.775 0.473 0.349 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 0.414 0.453 3.229 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 6.128 -7.556 4.146 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 8.933 4.388 -2.942 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 -7.035 4.880 -4.196 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 -19.663 8.047 1.874 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 -8.713 -8.769 -11.436 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 2.768 -3.962 3.419 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 12.035 10.364 18.569 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 -9.271 -20.458 -6.456 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 -0.415 4.058 -3.381 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 -4.364 2.559 -1.000 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 -3.398 5.434 -7.855 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 1.967 -1.056 -6.714 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 10.317 8.043 -24.709 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 5.367 20.142 0.415 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 7.361 -4.282 -3.100 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 -7.084 13.580 0.282 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 10.720 -5.045 -1.330 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 -0.575 -0.518 4.713 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 17.051 -18.009 0.608 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 -6.595 -5.371 0.739 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 -1.107 2.256 1.349 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 -2.747 -5.357 1.227 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 -10.576 -11.766 7.528 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 7.515 3.486 1.554 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 -17.583 8.200 -0.797 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 -14.116 7.796 -0.527 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 0.986 0.800 1.115 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 1.596 2.093 -7.386 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 0.271 3.215 -7.665 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 -2.378 -0.241 -1.620 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -19.548 -14.069 6.222 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 3.529 10.588 -11.447 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 -3.614 3.758 1.328 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 4.712 2.645 -5.779 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 0.119 -11.153 7.508 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 1.319 -1.815 -3.733 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 -4.882 15.783 -17.059 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 16.878 -15.176 -1.237 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 0.392 -7.369 -0.419 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 9.125 -5.585 -0.032 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 4.282 -17.742 0.395 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 0.030 -4.114 -5.427 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 -6.847 6.009 1.255 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 6.547 -2.473 -9.258 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 3.144 -3.379 -0.657 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 7.390 -10.848 6.500 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 12.688 -26.654 17.572 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 1.694 -6.507 4.045 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 19.031 8.774 -3.735 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 1.631 1.761 6.139 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 -2.423 -1.330 -1.308 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 1.664 8.770 3.594 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 -5.386 -5.322 -0.169 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 3.071 0.857 1.521 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 7.729 15.161 -10.796 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 3.404 -13.320 31.023 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 -3.467 6.358 2.378 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 0.338 1.854 -1.161 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 -7.130 -13.661 1.293 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 0.234 -9.874 -1.856 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 -19.402 9.123 -3.792 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 -3.417 2.768 -4.689 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 8.817 0.810 3.139 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 0.706 -14.778 -5.703 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 7.558 -4.398 1.712 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 -10.714 3.991 2.113 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 -17.515 7.809 14.707 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 -5.175 -3.135 7.025 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 -0.704 -0.819 2.086 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 20.100 0.144 -11.951 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 -4.575 23.579 7.557 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 -2.453 2.038 -0.771 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 11.228 12.491 -9.252 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 24.838 -5.655 5.658 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 2.116 3.912 4.283 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 -11.141 17.515 -5.276 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 8.142 1.529 -9.389 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 1.664 0.979 2.152 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 11.644 8.734 4.678 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 1.918 -3.647 -9.109 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 -4.885 8.524 -0.793 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 -8.990 17.021 1.612 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 -8.415 16.541 1.345 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 -4.765 4.192 11.344 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 7.676 2.719 38.879 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 -12.808 -10.230 -6.486 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 1.110 0.940 -1.142 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 -17.290 3.585 12.368 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 5.781 9.417 14.469 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 3.582 -2.340 -0.477 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 -3.879 2.201 9.027 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 -7.449 4.746 12.302 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 -7.440 -1.364 0.821 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 -2.159 -23.717 15.858 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 -2.718 2.619 1.427 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 9.626 2.098 -1.773 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 -10.692 -28.357 -19.292 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 -11.138 -3.107 3.455 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 -1.452 -4.649 4.594 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 2.248 1.634 23.190 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 -6.948 -21.052 -3.910 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 4.228 -0.505 -2.023 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 3.653 -17.399 -2.184 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 -2.879 13.653 -4.589 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 1.449 -2.413 -2.487 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 -0.425 13.029 6.460 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 -6.000 -19.008 2.295 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 0.534 0.905 2.771 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 -16.092 -7.170 -2.568 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 -1.040 23.285 14.575 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 -4.005 0.438 -7.187 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 1.684 -16.195 -14.464 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 -8.476 -42.897 19.620 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 -5.090 -1.249 6.163 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 -11.733 -7.467 7.274 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 0.218 1.748 15.323 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 -1.631 1.381 3.165 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 19.706 35.756 0.075 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 18.853 -23.999 -26.851 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 -3.503 0.463 -0.044 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 -3.161 -12.968 9.161 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 20.154 -9.623 -14.042 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 -5.552 -1.705 -7.847 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 0.442 -2.083 4.734 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 -9.340 11.810 6.123 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 -0.174 -9.495 -2.481 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 -29.533 -4.776 1.290 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 31.598 -12.319 -9.174 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 -3.730 8.282 -7.629 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 -4.693 5.465 -5.383 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 -6.276 -1.772 3.130 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 4.854 2.867 2.850 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 -0.447 0.947 9.824 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 3.836 7.275 -0.418 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 -0.632 -6.070 -5.033 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 -5.445 -1.846 -8.662 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 -1.725 -0.382 -0.415 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 -6.988 -7.821 7.166 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 -2.203 13.844 -10.129 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 -7.036 -16.810 11.372 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 6.176 0.226 -1.159 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 -2.780 -25.692 -9.871 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 15.629 14.727 6.526 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 3.392 0.441 7.854 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 -1.422 -4.739 8.833 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 1.452 -5.685 9.705 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 -2.854 6.055 6.405 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 0.429 11.909 -24.441 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 35.514 3.340 -4.706 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 2.181 -0.944 -4.756 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 -1.571 -10.011 8.921 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 10.511 11.579 -8.515 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 -2.329 2.953 6.019 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 -2.960 4.945 7.385 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 -15.748 17.483 14.940 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 -6.708 1.528 -0.394 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 7.629 18.012 -19.461 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 -7.934 -2.143 3.669 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 -0.857 -2.352 -0.369 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 19.124 -7.723 0.500 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 6.982 -8.347 7.529 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 -3.728 -6.932 -4.591 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 -11.205 -11.919 -6.487 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 37.628 16.492 -17.389 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 3.317 -2.459 2.215 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 -8.152 -4.086 16.267 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 18.466 9.783 22.121 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 -0.684 1.353 -0.931 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 -4.856 4.115 -7.719 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 -4.999 -4.300 2.507 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 3.780 -0.135 -3.245 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 -9.138 -0.468 -16.948 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 -19.000 -7.183 3.586 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 -1.178 3.941 -2.781 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 -4.398 8.254 -5.443 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 2.510 -9.661 -2.177 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 -5.039 -1.608 0.003 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 -5.269 -20.697 25.686 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 -2.557 19.225 -10.824 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 -0.145 4.014 0.454 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 -1.635 -25.136 26.964 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 22.639 -1.845 -25.758 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 4.280 -2.246 0.728 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 5.567 10.077 -9.371 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 8.351 1.077 1.606 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 -2.686 -1.840 6.388 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 -5.430 1.299 -17.754 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 -17.734 19.111 -13.121 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 -4.512 2.561 4.246 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 -11.284 -2.600 -3.005 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 -14.541 9.323 11.848 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 -9.571 -0.086 -7.540 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 -4.018 -10.528 0.280 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 -4.395 -6.552 -2.079 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 0.564 -1.089 4.609 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 6.770 1.357 2.131 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 5.107 -0.460 3.747 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 -5.858 -4.543 -7.016 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 10.588 -12.381 -3.957 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 1.309 -1.496 -0.483 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 -3.928 -4.508 0.441 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 1.944 -9.149 -12.975 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 1.622 19.197 23.843 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 -2.712 0.038 4.414 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 35.052 0.300 -18.270 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 11.534 4.680 -3.886 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 0.465 -0.860 2.412 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 -5.840 -4.825 3.192 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 0.933 -8.304 11.755 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 2.322 -0.511 -6.146 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 -8.546 -3.835 4.794 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 4.772 1.533 -0.824 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 -4.128 -5.780 0.820 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 16.910 -6.626 7.847 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 -2.300 -5.524 -0.930 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 -7.603 -2.394 -4.229 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 -23.737 -31.927 3.867 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 -15.039 -13.118 -3.408 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 -7.657 -4.724 1.286 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 -9.193 15.810 9.669 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 15.724 -16.799 6.117 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 -7.544 -2.378 -0.084 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 3.099 10.544 10.615 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 -15.534 3.066 -5.506 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 -5.181 -0.521 -3.125 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 16.890 -2.772 -9.228 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 -27.934 3.550 -0.464 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 3.115 -4.792 -4.798 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 0.200 -4.097 5.513 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 1.626 -6.206 0.168 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 -0.549 -2.716 -2.218 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 -1.807 6.304 5.264 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 9.170 -23.788 6.464 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 11.438 0.012 -1.283 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 -19.453 8.711 3.929 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 18.818 10.501 1.678 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 -3.855 -3.194 0.470 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 24.043 18.191 2.776 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 -3.123 -1.159 0.729 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 3.083 4.702 -0.440 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 -4.156 14.747 -1.289 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 17.262 -4.966 4.237 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 3.182 -5.965 4.980 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 0.861 1.801 -30.532 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 7.214 -24.911 11.889 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 -3.436 1.134 -0.859 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 -4.753 2.729 -3.946 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 -3.117 0.254 0.217 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 4.257 -0.403 -5.938 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 -9.512 -2.842 -11.293 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 2.455 11.348 3.137 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 6.683 -3.406 11.073 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 -9.970 5.398 13.690 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 4.181 -1.387 -14.005 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 -3.572 6.061 -1.737 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 17.238 -17.381 9.303 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 6.351 -8.542 0.341 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 1.926 10.144 4.901 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 3.722 11.865 -3.830 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 -0.249 3.443 2.870 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 0.675 -3.996 -3.642 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 -2.926 0.768 7.314 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 0.322 3.645 8.601 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 2.369 -0.074 -2.035 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 5.206 -3.576 15.970 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 -2.586 -0.742 17.005 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 3.065 -4.278 1.381 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 -6.496 -8.995 -14.125 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 17.786 5.210 -5.445 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 0.562 -1.596 -0.539 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 -13.892 14.896 9.683 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 -5.513 -0.922 9.825 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 1.925 1.431 -9.066 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 -14.110 2.860 -7.640 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 11.966 13.132 -4.531 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 3.052 6.534 2.641 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 11.214 3.244 -11.448 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 4.283 9.212 5.246 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 0.926 -2.306 -3.093 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 9.769 -0.436 12.336 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 -7.181 2.606 -11.132 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 4.024 2.500 -2.137 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 10.029 5.866 -3.486 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 11.445 16.070 0.977 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 2.609 2.303 4.788 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 2.383 -3.535 16.804 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 14.556 -3.824 -22.656 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 5.803 3.420 0.152 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 -11.620 -4.496 0.924 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 17.354 10.735 -1.320 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 0.758 -2.374 -4.556 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 -7.019 -9.836 -20.490 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 -6.400 -9.320 -15.670 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 -0.221 0.646 -1.020 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 -16.225 17.235 -1.004 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 3.893 -8.229 0.958 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 3.978 8.654 2.984 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 -5.928 -11.875 -18.300 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 -7.452 6.889 12.544 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 -0.014 3.426 1.730 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 10.986 12.530 1.928 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 -22.085 -17.460 -9.024 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 -5.936 2.058 0.646 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 14.405 -12.854 10.319 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 1.946 -2.392 12.842 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 -0.474 -1.681 1.012 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 -14.300 -1.494 0.497 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 1.194 -6.166 -11.064 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 -5.898 1.423 -3.711 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 -10.429 -4.918 -9.877 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 0.628 -16.516 4.281 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 -2.887 -4.610 -0.195 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 -27.846 -16.183 -11.581 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 13.723 -1.048 21.435 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 6.929 -0.898 -7.088 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 3.055 13.700 -17.217 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 -6.635 -11.818 -10.736 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 -6.755 0.225 -0.176 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 -1.187 -4.163 7.490 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 -3.954 3.908 -10.019 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 -6.614 2.001 0.040 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 6.776 23.627 -3.232 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 -5.591 -1.194 -7.207 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 -2.239 -3.737 -0.695 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 -12.976 6.962 -7.268 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 -20.325 -11.913 4.612 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 -0.205 -2.069 3.735 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 -15.693 -5.192 12.473 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 7.684 1.374 5.377 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 5.603 -1.943 -0.552 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 -4.301 -1.953 -5.183 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 -14.533 -15.547 10.769 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 -2.985 -1.543 -3.761 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 19.881 9.576 -7.965 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 -12.600 -4.890 10.688 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 -3.249 2.267 -4.756 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 -7.904 1.627 -4.780 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 -2.102 3.345 -0.095 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 -2.557 -2.064 1.362 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 17.336 0.973 7.715 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 -9.619 13.165 -11.885 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 -3.934 -0.303 3.646 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 -1.704 -3.159 9.844 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 5.572 2.797 15.953 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 11.458 -2.559 2.308 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 1.714 -0.344 11.642 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 10.624 -15.761 1.102 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 -5.793 3.097 1.816 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 15.351 -32.338 8.260 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 3.810 7.742 -15.014 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 -1.345 0.142 -7.979 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 -7.360 2.220 -7.432 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 6.529 -0.806 -11.533 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 4.366 -4.160 -5.828 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 3.520 2.282 -0.545 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 -6.268 10.672 -10.168 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 -2.951 2.707 -0.821 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 -16.665 -23.295 2.085 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 19.690 -15.395 15.534 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 -3.158 -0.176 0.109 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 -3.374 -0.921 15.048 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 -12.415 3.546 -14.750 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 2.968 -5.523 -1.160 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 -1.287 -2.905 -9.779 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 0.989 -5.748 -6.918 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 6.859 10.735 -1.172 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 9.292 20.103 -2.457 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 7.567 13.100 5.437 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 1.603 9.429 4.319 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 21.703 10.356 -16.283 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 20.183 3.669 -6.686 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 -0.805 -3.455 3.191 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 -12.761 -3.379 -3.169 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 8.738 2.129 -11.056 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 4.279 -7.424 -2.772 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 -10.372 -6.143 -7.729 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 6.561 6.110 -8.766 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 -7.190 -0.639 0.055 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 1.707 5.408 1.124 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 -3.613 -29.118 8.548 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 -0.053 -1.510 4.885 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 8.453 -3.043 2.050 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 -5.201 1.244 6.882 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 4.545 0.243 -0.666 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 -9.019 26.586 13.941 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 10.651 -7.541 5.427 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 -0.348 -3.949 -6.531 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 -10.607 9.364 19.660 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 -2.351 -5.381 1.281 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 -3.975 -4.004 -0.076 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 -18.320 -15.853 7.555 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 -17.205 -0.567 9.294 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 1.450 -0.520 4.114 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 -1.418 -13.047 -3.312 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 9.453 -7.507 11.104 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 0.954 -3.260 4.627 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 -11.658 -7.913 -1.211 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 -9.129 -2.653 3.809 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 -1.891 1.596 -2.139 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 23.344 9.338 38.221 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 4.751 11.889 3.522 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 -1.526 -0.317 -4.958 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 -2.447 -4.949 0.235 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 -1.255 -19.232 0.113 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 3.515 -2.138 -4.357 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 8.658 7.619 -30.088 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 -9.089 -1.621 -14.387 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 5.306 -0.715 -6.042 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 0.196 -0.516 -6.916 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 5.171 2.544 -7.769 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 0.785 1.841 3.858 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 11.842 -10.978 -4.796 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 -19.440 -8.777 5.436 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 6.840 -3.270 -2.918 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 10.355 -6.881 -5.813 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 24.257 -9.537 -11.486 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 5.160 3.899 -0.599 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 -8.764 7.528 10.104 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 -2.324 -4.308 -8.960 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 -0.492 -0.573 1.897 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 0.555 -5.828 -3.145 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 10.527 -28.507 -26.060 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 3.792 1.360 -5.012 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 -10.307 -2.509 -3.385 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 -18.832 22.314 -2.822 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 -3.630 -1.300 -3.041 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 -12.914 -10.851 8.154 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 6.717 -2.299 3.140 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 1.087 -1.818 7.431 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 -0.954 -2.484 -8.419 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 11.362 -13.164 10.477 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 1.175 -1.823 5.323 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 8.311 -26.797 -5.279 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 3.816 -10.616 0.484 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 5.846 2.060 -5.139 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 13.369 1.136 1.941 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 5.270 6.408 2.327 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 -1.372 -4.883 2.138 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 0.064 -22.570 -11.378 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 17.834 -7.819 10.713 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 -1.192 -2.837 6.849 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 13.946 -9.841 -7.664 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 -8.724 2.397 -2.419 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 -0.650 -0.696 -1.798 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 -7.908 -0.591 -8.150 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 5.325 -27.017 4.558 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 0.276 -3.205 7.583 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 -0.781 7.051 15.717 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 10.010 13.544 -4.870 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 1.285 -6.150 1.045 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 11.283 0.153 -4.557 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 -3.657 -11.654 9.589 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 6.320 3.458 1.684 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 9.330 5.157 0.801 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 -8.658 4.535 -8.724 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 -4.715 1.664 5.608 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 -8.670 -10.659 12.898 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 3.081 12.328 -6.049 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 5.510 -2.836 -1.351 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 6.731 -7.333 3.484 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 16.582 0.310 18.187 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 -3.408 -1.211 3.185 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 -14.578 -10.379 -13.046 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 -2.485 18.986 -2.972 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 -4.873 0.843 3.031 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 -2.284 22.134 1.771 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 -5.386 -0.211 -0.363 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 1.514 1.025 -2.023 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 -1.118 -20.973 -19.200 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 2.816 9.524 3.890 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 -2.067 -1.147 -2.396 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 -3.650 -18.536 -2.395 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 17.600 -1.613 10.840 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 -3.821 -3.533 -4.545 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 -1.130 -2.702 -5.490 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 -2.321 -11.061 -16.105 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 -3.902 1.226 -4.255 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 -0.444 -4.600 -11.267 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 -15.192 23.951 -1.073 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 -2.324 5.414 10.308 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 33.562 -3.170 -1.295 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 -11.395 -8.210 -18.572 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 -12.993 -2.618 -4.797 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 -18.544 -3.786 -4.849 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 -7.185 -0.863 -4.814 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 0.178 8.013 -2.438 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 9.320 16.871 -25.271 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 1.644 12.392 -7.232 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 -0.192 0.588 6.283 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 3.132 29.075 11.025 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 0.359 -0.019 5.471 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 -3.112 4.931 1.381 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 -18.817 16.206 11.435 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 -15.298 -6.191 11.317 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 2.827 2.889 2.213 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 3.941 11.374 -14.053 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 -20.615 -12.747 -27.581 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 -0.920 -3.977 -0.887 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 16.634 -3.472 -20.948 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 -12.371 -3.095 -18.796 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 0.740 -1.758 -0.222 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 -9.291 4.057 12.061 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 -7.237 2.841 9.356 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 1.780 -7.701 -0.590 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 -0.979 -8.047 -4.031 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 6.171 -7.060 3.679 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 2.682 5.944 -1.327 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 8.574 11.965 23.825 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 -2.881 0.786 11.552 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 -1.948 2.471 1.283 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 0.342 10.379 14.927 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 -21.083 3.389 -0.654 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 8.858 3.040 1.185 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 8.220 5.039 12.632 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 -1.628 -1.801 -2.980 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 -2.911 7.642 -1.299 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 0.506 -4.073 7.820 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 1.672 16.588 -5.783 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 -6.572 2.362 -0.143 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 -8.419 -20.383 5.497 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 -1.189 0.303 21.403 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -5.625 5.481 0.132 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 -7.520 0.133 -0.541 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 -6.054 7.206 4.646 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 1.564 -2.973 -3.299 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 4.682 -7.323 -3.299 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 7.563 17.901 -22.152 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 -1.290 2.728 -2.659 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 -4.734 -3.745 7.620 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 0.441 -5.296 7.666 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 6.894 -0.215 1.626 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 -2.364 -4.520 -14.327 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 -3.436 -14.651 -9.925 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 0.834 -5.144 -1.338 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 3.678 -9.391 -5.322 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 -10.856 -19.815 -25.758 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 -1.905 -3.138 -1.750 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 -14.819 -22.431 -16.247 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 0.720 -3.161 -3.007 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 6.857 5.568 -1.206 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 6.341 -19.341 -5.895 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 10.054 -14.596 -14.738 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 -3.722 -2.724 -3.163 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 -22.405 7.522 18.827 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 10.662 -8.352 6.133 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 3.002 4.806 -1.073 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 1.834 8.197 -9.193 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 4.914 -12.301 7.650 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 3.291 1.394 -1.870 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 -3.171 0.973 -20.476 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 1.761 -5.804 19.459 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 9.157 -1.572 -1.666 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 -5.913 -12.376 11.951 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 10.234 6.903 7.919 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 3.670 -5.269 -1.565 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 -10.020 -8.415 2.889 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 -7.908 -3.596 4.684 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 4.200 -2.811 -2.998 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 8.923 12.193 4.194 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 12.143 -17.662 -1.332 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 -1.162 2.071 3.961 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 -0.385 -18.816 -11.601 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 9.105 -3.219 24.447 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 3.360 2.145 0.238 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 -4.964 10.728 17.296 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 9.824 28.373 4.847 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 -3.716 -0.809 -0.557 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 -1.811 -0.491 -7.888 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 -26.433 2.888 -15.237 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 -0.052 -1.438 6.120 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 -4.455 1.604 0.097 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 -11.236 -1.379 -0.491 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 -8.075 3.894 1.617 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 4.480 -1.398 -7.232 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 -3.195 -2.033 0.331 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 0.965 -0.729 8.983 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 -0.200 6.629 2.149 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 -5.287 1.408 -8.510 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 1.304 -3.342 -2.065 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 -1.788 -7.506 1.694 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 0.605 -0.508 -1.620 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 -2.113 2.574 -1.326 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 -12.383 8.645 -7.331 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 -10.757 9.409 -12.854 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 -0.691 -4.336 3.065 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 1.625 6.211 0.939 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 10.098 15.925 9.157 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 -8.815 0.459 2.978 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 -5.690 -14.630 9.931 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 -12.923 2.956 -4.767 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 -4.215 4.572 -2.566 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 14.613 7.646 0.237 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 -0.659 3.433 -16.533 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 -2.216 2.237 -5.810 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 -12.095 5.573 10.627 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 -20.606 -7.382 -19.936 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 -1.023 5.358 2.153 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 18.114 -0.827 -19.599 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 17.391 -23.971 -11.067 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 -0.083 4.344 -10.151 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 5.799 -3.198 3.000 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 1.490 2.118 0.010 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 -2.856 -2.965 0.849 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 -2.033 -23.842 8.159 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 14.490 0.004 -12.041 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 1.290 4.511 -2.632 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 -12.252 41.364 42.474 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 -11.509 3.762 -9.301 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 -0.374 2.504 6.414 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 0.162 11.232 5.154 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 -7.237 0.250 7.264 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 -2.729 3.869 -6.824 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 9.090 20.011 -17.851 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 7.273 4.640 18.080 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 -1.418 0.105 -2.187 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 4.106 2.839 2.786 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 1.152 5.032 -0.967 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 4.539 -1.707 -3.170 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 47.894 -11.677 0.839 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 6.103 -15.502 40.275 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 3.029 0.273 -0.604 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 6.039 -9.204 6.882 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 5.881 7.217 -9.158 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 1.805 -1.829 -0.994 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 4.021 -7.963 -13.802 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 29.657 7.845 0.538 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 4.759 -4.208 -6.160 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 3.764 -13.593 -12.782 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 8.855 4.022 -4.800 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 5.360 2.149 1.494 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 6.678 -5.916 13.290 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 27.688 6.582 2.553 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 -8.287 0.409 4.499 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 -0.736 2.675 3.849 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 9.190 -3.296 1.854 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 -2.689 -0.151 -6.782 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 -2.216 4.907 12.306 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 -3.313 1.842 2.196 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 -1.542 4.046 2.748 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 -12.823 8.884 2.492 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 9.386 -1.458 3.285 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 2.564 5.197 2.204 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 -0.271 14.574 -10.013 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 1.534 7.796 -3.824 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 3.040 -6.826 -2.511 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 8.840 1.984 -3.465 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 -9.868 9.598 8.849 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 4.962 2.173 -1.029 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 5.536 2.637 6.847 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 3.906 4.076 -10.452 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 1.157 2.165 -2.793 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 -4.474 13.276 -14.017 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 4.016 3.717 -13.514 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 1.810 0.995 -7.705 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 12.219 4.930 -5.843 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 -10.732 -5.742 -8.801 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 -3.139 2.293 1.875 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 1.560 5.468 -2.319 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 -5.560 5.214 -19.401 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 -2.994 7.224 -7.938 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 23.121 20.810 -9.213 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 -17.176 -0.861 21.059 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 3.912 -1.902 -0.292 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 -5.186 41.692 -12.082 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 -0.096 -13.310 -6.618 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 6.917 -3.691 -4.634 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 5.026 12.543 -3.732 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 20.871 9.144 -8.908 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 4.389 4.688 -1.889 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 -21.603 11.166 -12.813 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 -7.011 -2.877 28.469 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 0.585 -1.973 -0.248 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 11.864 -6.700 -8.446 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 5.351 8.455 6.150 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 -3.978 3.493 0.190 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 1.485 -3.325 -7.706 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 -4.851 -1.945 -8.778 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 2.640 1.719 -1.467 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 5.976 28.713 -12.097 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 8.902 23.192 -10.527 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 0.723 -4.351 5.091 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 7.984 6.934 9.804 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 -1.933 -13.805 6.273 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 -5.903 -1.339 2.244 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 2.101 -1.268 9.981 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 -9.836 -4.317 12.340 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 3.074 3.391 -6.477 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 -5.321 -1.328 7.375 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 7.235 -4.513 -11.991 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 2.681 -10.103 0.132 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 10.995 5.933 0.072 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 4.083 -3.772 -0.986 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 4.590 -0.895 -4.425 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 6.079 -2.022 -8.156 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 8.199 7.744 -3.780 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 -4.293 -0.616 -4.470 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 3.123 -11.955 7.758 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 -7.694 19.240 14.720 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 2.595 0.003 1.618 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 -2.960 -7.465 -2.416 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 1.111 -1.163 1.139 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 5.726 3.564 -2.166 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 -24.723 -17.801 -0.876 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 -17.268 15.665 -14.146 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 -3.892 2.825 0.140 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 1.142 -2.253 -9.009 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 0.804 5.284 0.458 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 -2.876 -4.132 -2.552 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 0.257 -7.604 -37.180 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 12.672 -5.478 1.178 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 4.423 7.619 -2.858 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 8.189 13.830 -6.444 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 0.063 -16.020 12.806 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 6.419 -0.747 3.311 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 7.954 7.929 0.500 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 -5.227 20.603 -2.667 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 -0.282 5.302 -2.705 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 3.019 -25.552 -7.826 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 3.668 -16.552 -1.664 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 -5.611 6.580 -0.627 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 4.681 -3.133 15.108 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 1.740 -9.689 3.229 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 4.262 5.945 -8.825 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 13.238 14.383 18.950 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 -5.237 5.195 5.318 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 6.241 -2.481 2.300 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 24.049 23.476 0.885 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 6.537 25.607 -12.989 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 -2.492 0.020 2.814 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 -19.318 16.444 -19.948 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 -21.714 -14.789 12.896 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 -6.527 -6.032 3.900 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 -10.926 -5.558 11.579 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 -3.221 -6.884 1.400 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 0.569 -0.123 1.965 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 -6.821 5.100 2.029 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 17.396 -11.495 0.441 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 1.170 6.483 6.068 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 11.664 23.999 -11.876 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 8.051 2.976 -6.785 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 0.307 7.373 1.975 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 1.538 9.096 -1.755 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 3.443 3.420 5.427 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 -0.135 -3.052 3.084 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 -8.809 -16.563 0.902 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 -6.640 2.663 16.983 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 -0.995 1.658 1.850 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 -4.433 -2.120 -2.437 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 -4.918 -5.867 -0.918 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 2.532 -2.156 6.712 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 -11.739 -8.587 10.554 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 -20.225 19.324 7.752 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 9.174 -1.668 1.404 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 23.712 -8.140 2.403 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 9.955 28.412 12.771 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 -1.578 -7.667 6.631 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 -16.594 -12.387 2.584 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 -2.076 -12.120 -7.389 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 2.259 4.485 3.500 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 7.753 -26.758 2.073 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 -4.971 5.947 -3.733 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 -0.245 0.900 -2.548 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 -6.949 -4.380 -12.753 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 -9.938 -1.422 -8.806 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 4.257 -2.190 0.543 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 9.613 1.104 12.468 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 -3.633 7.286 -12.311 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 6.666 3.386 1.041 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 -1.667 -17.879 3.598 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 22.620 -3.402 9.615 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 0.872 -1.209 1.457 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 -0.671 -1.486 3.575 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 -5.309 -8.359 -0.574 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 2.016 5.732 -1.551 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 3.481 6.849 -2.246 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 18.052 14.851 -8.435 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 5.030 1.602 -0.358 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 9.661 29.994 21.755 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 -11.368 -17.332 8.452 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 -1.442 -2.738 1.899 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 -10.568 -18.065 -6.336 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 8.503 -9.232 19.829 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 2.575 2.281 -7.659 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 10.439 13.027 6.479 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 -6.674 0.965 -25.391 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 -2.989 -2.376 -0.534 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 -34.861 14.359 -13.547 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 18.947 27.574 6.121 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 3.311 1.937 4.185 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 -28.355 12.976 -10.423 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 3.990 2.105 3.884 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 -1.552 -0.662 -5.688 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 -11.607 15.179 -1.021 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 -2.937 -17.586 -5.437 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 0.857 3.678 4.286 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 15.272 0.805 8.009 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 -31.153 7.305 -2.944 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 5.958 -1.801 -6.786 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 -4.234 -8.201 2.605 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 2.098 5.300 -9.913 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 7.878 -3.513 -2.993 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 -8.863 10.686 -23.735 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 -17.244 -26.266 -15.559 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 -5.873 2.245 -3.766 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 17.768 25.765 9.059 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 -5.819 -2.909 -2.890 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 -0.550 0.204 -0.190 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 4.127 -7.569 3.623 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 4.219 1.746 4.940 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 8.234 5.338 0.928 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 13.083 15.490 8.970 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 23.614 2.836 28.815 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 3.799 -1.959 4.583 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 -12.086 -6.973 -0.697 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 3.246 15.091 1.295 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 6.729 1.229 0.825 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 -3.304 3.856 -14.842 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 15.404 -15.715 14.860 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 -2.110 0.009 0.892 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 -3.902 -3.331 -11.629 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 -2.188 0.123 -0.655 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 2.556 3.235 0.791 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 -0.909 11.761 -4.532 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 7.421 16.363 -9.415 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 -0.109 -1.753 2.781 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 21.442 -2.441 2.795 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 -4.883 -18.976 15.950 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 -9.459 -0.870 0.574 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 -21.605 -2.530 7.581 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 1.659 -4.973 -16.372 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 5.488 -5.808 0.168 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 34.743 5.289 -5.003 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 -9.773 14.527 -9.924 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 -5.050 -4.305 -7.530 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 2.681 -21.801 14.103 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 16.625 12.013 6.941 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 -2.035 3.509 -1.229 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 -2.171 3.794 -1.343 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 0.515 -5.859 0.313 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 -6.879 -4.035 7.570 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 2.669 8.135 -3.744 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 -0.777 22.018 -9.153 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 2.677 1.986 -0.351 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 -20.877 -0.738 17.474 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 -6.805 2.694 6.695 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 5.030 -2.738 0.352 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 6.505 3.613 -31.384 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 -13.180 7.096 -7.567 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 -2.026 4.954 7.519 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 9.861 13.059 19.000 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 -13.083 -16.577 13.186 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 3.709 2.840 -2.262 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 9.372 8.711 -6.416 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 -19.829 -8.925 -7.982 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 -4.933 1.258 -6.315 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 -9.254 -9.603 6.108 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 -10.991 -12.355 1.991 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 -4.883 -0.293 -4.221 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 8.408 7.176 -5.001 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 -7.914 2.835 1.653 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 -1.999 -4.471 0.886 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 7.200 -1.779 2.719 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 -14.730 -8.471 0.052 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 5.976 4.132 -4.153 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 17.804 7.307 -13.791 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 -7.300 10.929 -5.122 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 -0.675 2.501 -3.819 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 4.532 7.792 -8.592 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 -19.470 11.958 -12.461 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 -3.038 1.877 4.190 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 -7.077 17.211 -22.331 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 -6.284 -9.259 17.541 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 -8.414 3.473 0.105 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 -7.988 -5.527 3.149 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 -9.302 1.302 3.973 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 3.699 -4.836 3.109 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 -2.479 -9.055 -0.804 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 7.541 4.743 20.727 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 5.380 -3.049 -6.107 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 17.517 -35.075 -12.591 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 25.035 8.154 -29.003 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 -1.890 0.389 1.471 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 13.840 3.875 14.020 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 2.625 1.625 12.160 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 -3.948 -1.432 0.358 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 -21.306 -5.705 -4.294 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 -0.827 -2.618 7.510 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 8.221 -8.196 -1.552 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 9.702 11.319 18.704 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 -22.811 3.547 -0.498 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 1.705 -1.898 4.824 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 -2.458 -2.724 23.221 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 5.840 -8.853 -4.068 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 3.421 4.446 0.476 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 -32.232 11.174 -10.114 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 -16.532 -21.306 3.081 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 -0.603 -1.380 -3.035 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 -4.085 -2.151 -31.399 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 1.402 0.263 14.205 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 5.074 4.051 -1.216 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 4.582 -7.837 7.488 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 -5.361 16.120 -7.657 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 0.249 2.621 5.639 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 17.149 -7.623 -21.361 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 -11.722 -10.966 2.456 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 -1.879 1.758 -2.996 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 -13.961 11.587 -7.335 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 1.299 -0.196 6.784 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 -1.687 1.832 1.991 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 -7.301 4.995 15.280 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 6.325 -4.776 8.786 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 8.687 -0.326 1.210 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 6.744 17.076 5.573 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 -4.521 -10.098 13.092 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 1.260 3.707 -3.201 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 -14.611 12.439 -16.872 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 13.603 -5.140 5.681 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 -2.591 3.799 4.544 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 -5.214 -8.111 17.563 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 -2.127 6.118 13.837 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 1.729 2.631 4.062 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 1.146 -3.040 -20.909 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 6.266 31.017 16.772 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 -7.059 -3.589 1.112 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 -0.717 1.775 12.008 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 -1.814 31.223 0.294 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 -0.807 -5.297 -4.185 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 2.621 -1.382 -17.776 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 -10.257 -14.824 -9.288 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 1.335 4.232 4.763 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 5.738 -6.433 -4.918 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 4.960 4.876 11.841 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 2.553 1.427 -10.437 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 -8.375 -7.468 -11.012 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 19.875 2.496 -13.955 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 3.526 2.994 0.609 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 10.230 -1.376 -1.228 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 -3.298 -9.009 23.127 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 -6.091 -0.383 -9.770 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 -11.190 -1.408 -7.734 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 -1.971 -4.275 -6.915 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 -3.915 5.194 0.506 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 6.905 7.045 6.847 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 1.755 -2.660 -5.630 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 4.516 3.101 3.538 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 17.869 -34.179 27.231 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 -6.911 -5.852 -1.952 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 4.032 4.962 1.357 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 11.249 -3.548 -2.454 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 -6.106 30.796 6.612 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 0.909 -2.926 1.509 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 -9.511 24.765 5.116 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 -5.243 11.231 5.406 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 -5.270 2.579 1.595 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 -0.421 -20.212 -2.605 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 6.357 -32.732 -6.891 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 0.897 0.137 2.969 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 1.278 -2.912 -4.613 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 -10.083 1.115 -4.522 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 0.907 -3.889 0.016 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 -15.498 -6.610 2.319 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 -5.047 -17.057 23.794 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 1.134 -3.365 -1.029 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 -2.480 -9.472 -11.888 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 -0.552 -3.225 8.466 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 -1.936 0.493 8.597 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 -18.992 9.211 15.429 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 21.962 0.238 14.257 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 -0.164 2.727 2.078 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 3.675 8.210 18.433 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 2.955 -1.232 -7.036 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 -1.458 -5.728 -0.209 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 2.002 -8.155 2.451 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 -2.563 -3.770 -3.241 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 -8.900 5.535 1.769 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 -10.820 15.986 -10.535 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 -17.287 18.854 3.847 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 0.958 0.632 2.690 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 -4.003 6.667 0.045 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 8.790 -2.843 -14.368 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 -2.388 5.729 0.639 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 -1.104 5.218 0.869 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 -6.590 7.152 -2.437 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 -5.592 -3.791 6.299 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 -1.625 -0.697 3.057 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 -20.592 7.064 5.631 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 -5.019 -1.445 -2.370 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 -23.862 3.903 1.234 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 2.723 7.559 20.799 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 -2.340 2.065 -3.783 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 -6.374 2.294 14.448 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 -20.547 20.393 -0.052 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 2.445 1.532 0.427 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 -2.455 -1.300 14.993 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 9.642 16.533 7.233 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 -0.765 3.221 -2.240 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 0.304 4.309 -6.413 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 8.577 4.413 -2.453 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 5.010 -3.108 -1.104 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 8.797 -5.685 -4.757 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 0.240 -1.783 0.554 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 -4.225 -3.096 -0.252 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 13.118 -2.306 7.565 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 7.951 -1.240 6.703 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 6.628 -2.966 0.005 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 4.355 -18.998 -17.898 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 -14.131 5.452 2.502 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 0.075 2.336 -3.852 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 -16.608 3.637 -1.716 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 -11.265 -9.227 20.835 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 -0.090 -6.574 7.204 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 -6.300 -2.462 4.451 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 -0.540 -6.156 5.637 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 -0.364 -4.690 -0.845 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 -14.228 -2.643 -7.015 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 -10.293 9.441 0.311 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 3.562 5.153 2.186 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 12.840 -4.287 0.033 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 7.095 -7.183 0.739 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 0.969 3.586 1.205 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 8.391 1.374 -4.859 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 -23.039 0.601 1.047 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 -6.064 -2.696 -3.324 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 -23.431 -13.383 16.767 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 -18.171 -15.887 -6.582 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 2.067 1.989 1.220 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 1.509 18.666 -17.049 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 -11.099 13.681 18.249 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 -1.106 7.268 2.346 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 0.306 1.333 18.330 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 16.204 -7.296 -9.568 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 -7.333 -0.691 -5.127 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 24.256 -7.739 -13.759 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 -11.604 19.858 -8.857 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 -3.957 -6.871 2.989 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 7.264 -0.525 -3.701 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 4.646 7.313 -8.963 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 4.026 1.516 -3.179 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 4.373 0.610 3.856 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 5.288 -1.335 -6.549 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 6.891 -0.002 -1.960 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 -0.026 5.466 8.060 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 23.709 -12.082 -3.866 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 7.740 -0.184 -5.306 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 -1.578 6.494 -8.442 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 9.552 -0.412 -4.879 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 4.125 4.932 -1.403 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 -8.181 2.532 13.892 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 -6.241 -0.655 -2.252 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 -1.936 0.465 -4.449 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 -3.813 3.002 27.034 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 8.769 17.279 5.008 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 3.407 4.094 -0.190 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 25.824 -5.820 -3.514 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 5.528 3.242 -0.456 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 -0.555 1.226 -0.214 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 -6.060 -3.023 -12.004 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 6.927 -10.945 -18.824 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 0.660 -5.084 -3.630 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 -12.622 -7.513 -3.491 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 -27.946 -5.688 -0.381 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 0.038 0.354 -1.517 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 11.396 11.267 -22.014 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 15.789 -11.048 -5.772 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 -5.839 1.095 2.045 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 -5.359 2.998 2.608 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 -35.805 -5.484 -10.894 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 -7.091 -0.664 -0.896 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 -4.986 16.847 0.555 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 3.917 11.829 6.226 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 -0.729 -3.389 10.495 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 7.623 3.991 14.924 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 -3.350 1.195 11.996 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 3.518 -2.266 0.425 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 4.803 -6.257 7.354 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 -5.665 6.417 1.178 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 0.533 3.490 6.375 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 8.847 -14.285 10.367 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 24.376 1.060 -10.427 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 3.337 2.229 -1.087 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 -4.065 -2.458 -16.299 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 -22.397 21.988 7.907 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 0.865 1.423 1.862 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 -8.768 -26.892 -13.716 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 -10.684 -0.964 -4.652 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 0.148 -5.124 -0.002 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 29.629 6.814 -6.131 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 -12.741 4.547 -16.307 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 -3.746 -3.971 -1.026 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 5.639 -8.396 -1.539 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 1.648 -9.921 1.074 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 -5.661 2.986 -4.717 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 -6.790 4.871 0.878 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 -6.767 8.292 -8.712 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 -4.071 5.397 -4.486 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 7.203 9.327 17.896 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 3.031 9.621 5.336 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 3.835 8.387 -5.251 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 8.164 -5.174 -4.659 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 12.901 19.163 2.853 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 0.769 -4.562 0.987 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 -13.817 -30.654 -15.857 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 -9.625 2.997 -6.693 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 6.372 -1.077 1.399 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 4.609 0.063 -4.418 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 -3.981 1.964 -15.067 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 -0.017 1.061 -2.771 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 -15.298 -12.828 1.858 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 -7.567 21.174 -4.085 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 6.523 -6.385 -3.728 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 12.018 -0.909 -4.140 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 16.511 -3.178 -29.087 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 4.406 -4.996 2.450 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 19.283 -1.936 11.078 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 8.707 0.296 -1.335 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 0.083 -5.017 3.071 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 -1.568 -8.282 5.024 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 -4.675 -6.274 3.315 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 3.077 -5.973 -0.462 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 1.495 -9.724 2.004 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 6.830 -9.806 -1.502 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 1.007 -1.070 1.010 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 -8.930 -10.045 5.302 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 2.355 3.938 -6.761 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 -5.407 0.429 -2.272 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 9.234 27.247 6.095 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 9.253 1.414 1.472 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 3.883 4.740 -1.341 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 -1.154 2.000 4.858 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 -1.926 10.362 0.760 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 4.022 6.683 -3.492 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 8.064 17.213 17.260 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 -19.422 -0.163 -1.395 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 -0.640 -2.573 0.235 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 -25.156 -13.897 7.816 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 13.210 -7.386 11.702 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 8.009 4.179 2.390 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 10.693 -3.212 -0.350 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 4.357 7.845 8.689 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 -0.387 -3.692 -4.728 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 2.598 20.618 -24.092 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 -36.894 -20.522 -13.573 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 -7.545 -2.116 -6.865 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 -2.305 4.770 0.621 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 -1.702 -7.956 -8.032 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 -6.465 4.752 -0.263 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 -5.331 13.171 -16.588 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 1.425 10.849 -12.681 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 5.553 -3.168 2.229 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 7.224 10.843 3.738 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 13.196 -18.266 -6.047 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 -2.921 -1.394 5.574 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 25.501 3.231 16.067 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 -8.725 -18.955 -7.700 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 2.884 -2.732 -4.578 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 32.017 -8.714 -4.140 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 -4.722 10.276 9.881 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 -1.908 -5.794 -1.992 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 3.465 -10.214 5.252 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 -18.097 7.122 -9.876 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 0.848 0.337 -9.243 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 -12.146 -6.082 -5.295 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 10.484 3.966 -10.040 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 -1.459 -0.182 3.779 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 2.504 13.853 -5.443 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 10.001 2.082 17.450 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 8.964 -0.817 2.856 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 10.382 -1.597 4.803 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 6.928 -0.800 3.254 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 2.896 6.384 6.466 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 14.094 11.099 -0.066 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 -2.848 -10.449 -4.963 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 2.134 7.667 1.134 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 5.079 4.935 3.183 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 -0.894 -1.227 -2.117 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 -7.772 3.217 -0.451 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 -16.452 -4.484 1.400 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 -11.727 1.890 -3.937 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 -13.072 2.063 -5.460 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 -13.495 3.566 0.905 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 -5.787 4.026 -33.464 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 -2.399 3.395 2.094 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 0.561 7.170 -0.187 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 -5.244 -1.890 23.282 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 -1.277 -1.084 2.949 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 10.098 7.919 -17.880 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 2.024 10.106 -3.416 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 0.945 0.984 -1.629 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 1.194 -0.465 17.022 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 17.769 7.823 -0.868 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 2.435 -4.868 8.391 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 -3.581 -5.903 12.887 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 2.041 -16.205 20.536 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 -1.370 -4.322 -1.673 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 -17.534 13.589 11.476 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 5.041 -12.082 2.048 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 -0.940 -2.077 2.365 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 15.136 1.898 6.295 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 24.917 3.029 3.377 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 -1.007 2.818 1.645 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 17.573 16.285 -5.707 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 -1.449 0.851 23.957 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 -2.518 -4.254 -0.124 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 -15.250 -2.357 -0.989 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 -3.636 -0.485 -14.777 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 0.858 2.696 -3.135 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 -3.199 -6.841 -8.758 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 -1.838 23.430 6.494 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 -3.942 -3.451 -5.406 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 19.326 -14.385 -10.417 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 0.128 -2.743 0.720 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 -3.554 -1.278 1.988 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 15.894 -24.848 13.442 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 -11.926 -5.481 -18.897 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 6.475 -2.342 3.225 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 22.057 -2.203 -9.521 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 11.334 -7.894 -19.476 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 -2.438 -2.744 -0.864 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 2.571 -7.339 -8.577 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 -3.323 1.442 4.658 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 -3.401 -5.003 0.417 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 -9.318 -0.697 -0.893 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 -8.658 -6.287 2.051 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 -0.332 -3.103 -5.502 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 0.871 -13.634 22.488 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 3.244 2.635 -5.259 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 1.062 -0.350 -1.639 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 7.240 17.242 1.146 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 -2.132 -9.981 -2.912 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 3.159 2.848 0.967 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 4.927 4.121 1.379 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 2.424 6.752 -12.936 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 -2.308 -3.475 3.517 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 -1.744 11.360 -7.695 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 0.558 1.278 2.408 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 -3.124 -1.079 3.743 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 -15.618 7.772 8.913 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 -12.752 -11.205 -0.739 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 -0.846 2.908 0.183 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 1.020 -9.902 -4.118 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 7.927 8.307 -0.200 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 -2.607 3.800 2.434 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 0.944 19.855 -13.775 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 -11.891 -24.761 37.113 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 4.723 3.224 -0.066 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 6.147 13.741 -23.903 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 26.944 5.480 6.797 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 0.077 2.207 -5.445 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 -2.935 -19.818 15.472 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 -24.370 0.166 -20.804 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 0.635 -2.172 0.657 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 12.759 1.136 2.648 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 20.811 1.104 2.527 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 1.983 -4.167 -2.955 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 10.043 16.652 -15.844 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 11.366 11.780 10.697 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 3.359 -2.483 -9.651 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 9.447 22.510 9.288 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 2.549 -13.939 -17.123 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 3.977 -0.269 -2.884 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 22.240 -7.705 3.144 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 -26.792 5.521 -14.365 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 0.810 5.274 0.378 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 -9.915 3.073 3.761 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 9.156 9.070 7.687 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 -3.446 4.793 -0.434 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 -6.430 8.127 3.085 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 7.166 1.050 8.491 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 2.965 2.456 -3.957 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 -0.813 0.628 7.148 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 -7.140 -10.547 -13.141 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 -4.929 -7.680 3.472 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 -1.619 2.462 -3.454 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 5.088 -8.282 11.347 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 6.035 2.987 -4.855 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 -16.301 6.204 -15.771 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 -19.530 -7.326 9.704 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 0.364 -4.171 5.659 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 -3.196 -7.467 -17.948 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 -9.714 6.986 -26.874 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 4.766 -0.782 -3.512 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 3.223 0.758 -14.800 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 3.974 -3.389 -8.411 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 -3.896 1.506 -3.887 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 11.829 -22.421 8.586 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 0.895 15.117 -13.949 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 -4.057 3.080 5.698 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 -1.413 1.273 8.232 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 0.897 6.289 -3.753 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 4.970 4.954 -2.880 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 14.848 13.854 -31.503 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 -14.866 -12.817 17.246 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 -3.627 1.918 1.933 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 -12.691 17.500 9.303 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 13.709 28.224 9.897 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 -2.206 0.380 -5.477 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 25.448 -9.148 -23.484 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 -8.315 15.383 11.366 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 0.032 2.338 2.242 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 -9.597 11.651 -3.847 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 3.751 5.719 -16.052 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 -5.273 -0.099 -2.077 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 -18.615 7.640 2.495 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 3.344 3.318 12.912 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 -1.670 3.745 -3.346 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 -9.362 -21.917 1.139 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 -11.355 10.361 -8.683 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 -4.026 0.533 0.275 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 2.531 5.706 -19.717 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 -3.425 -20.286 -14.468 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 -2.903 -2.301 3.203 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 -16.558 -6.202 -12.565 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 7.772 17.629 0.331 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 1.036 1.754 -2.720 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 9.914 -13.351 9.807 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 4.356 -2.045 -3.329 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 2.983 -0.342 -1.912 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 0.703 6.717 -4.523 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 -0.050 3.209 -6.685 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 2.301 0.650 -4.992 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 18.758 3.523 -5.949 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 12.178 2.024 -5.003 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 3.568 -2.050 -0.802 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 -5.923 -8.802 28.025 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 -16.137 7.385 17.482 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 -2.260 -7.576 2.227 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 8.299 2.057 -0.338 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 -1.685 -15.108 12.417 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 -4.954 -1.721 4.407 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 -11.390 7.552 2.728 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 -11.876 -5.325 25.480 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 -1.726 1.308 1.339 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 -2.607 -1.952 -9.718 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 -0.789 -2.906 -6.151 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 2.937 1.021 -0.098 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 -9.445 21.167 -5.305 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 5.003 -21.946 5.287 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 -3.525 4.294 6.809 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 1.764 13.898 16.124 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 8.998 -5.019 15.250 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 4.128 -5.412 1.031 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 6.816 -1.923 -4.068 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 7.818 6.623 -3.930 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 -0.643 4.090 -2.074 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 8.337 -2.666 10.037 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 4.664 -0.029 2.064 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 4.825 1.478 1.850 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 12.181 3.878 1.875 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 11.953 -10.226 5.400 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 1.472 0.821 0.666 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 18.699 -10.789 11.283 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 -4.598 15.173 -1.191 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 -2.470 0.274 -0.177 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 -2.476 -8.415 9.048 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 -8.171 -8.786 1.374 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 8.653 -2.656 -2.707 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 -4.115 -4.437 -15.021 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 -1.786 -0.337 -3.272 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 -2.902 -2.359 -2.953 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 4.814 -5.347 7.566 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 -6.318 -7.600 8.223 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 -1.558 -1.503 0.475 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 -2.316 -2.865 3.435 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 -8.640 -7.290 -21.059 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 14.279 3.918 -0.540 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 6.896 34.353 -16.874 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 -17.554 -9.031 12.376 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 1.476 -6.157 6.135 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 -16.517 0.702 28.486 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 3.417 -9.194 -4.102 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 3.946 2.856 -6.317 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 3.485 5.970 -4.855 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 4.182 3.788 -9.057 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 1.820 -2.447 0.329 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 -0.670 -39.229 -30.584 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 3.290 2.295 3.352 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 0.762 7.602 3.223 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 14.598 10.536 -3.019 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 5.444 7.293 10.374 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 3.038 -5.857 -1.826 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 14.589 18.347 9.035 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 2.055 -7.952 -17.875 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 -1.729 -4.297 -2.067 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 13.491 22.446 5.369 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 17.678 -27.260 -3.789 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 -2.717 0.062 -1.467 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 18.957 5.246 -3.012 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 -10.443 22.528 5.243 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 -6.499 -0.260 -4.133 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 -0.028 -2.209 -11.711 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 -14.061 3.065 6.006 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 6.606 0.090 1.221 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 10.978 6.303 7.824 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 4.006 -3.503 0.445 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 3.133 -5.310 0.602 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 8.507 -19.238 3.013 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 10.978 -28.110 14.522 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 3.225 -7.187 -2.079 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 4.071 -3.705 15.643 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 10.650 -11.342 17.580 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 -2.293 2.423 -3.000 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 -2.971 1.004 -5.964 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 -1.963 -4.922 0.130 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 -4.955 9.621 -1.968 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 -23.548 -4.583 -9.574 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 18.469 0.159 -17.811 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 1.512 -3.106 -3.415 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 8.028 -21.586 -0.220 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 -0.853 25.907 10.801 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 -3.322 -4.354 1.808 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 -15.151 -14.374 -3.800 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 -3.297 11.109 4.381 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 6.794 -3.113 0.064 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 12.481 -0.447 12.127 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 -7.806 -7.100 -19.206 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 -5.363 1.233 2.270 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 8.456 -17.491 4.564 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 10.099 21.085 2.424 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 -0.993 0.465 -3.189 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 -7.801 -2.902 1.833 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 -5.139 -5.421 10.651 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 -8.250 3.657 4.274 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 21.476 -10.380 -10.709 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 17.916 -16.297 -8.784 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 5.293 -4.230 2.515 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 2.829 1.207 -0.640 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 9.105 14.289 -6.863 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 -1.716 6.332 -2.488 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 8.718 7.177 2.221 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 23.095 6.230 -0.592 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 1.603 -8.845 4.580 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 -19.210 -12.414 -8.904 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 4.159 -22.432 4.895 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 0.126 -6.973 3.595 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 -1.832 -1.121 4.609 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 2.348 -6.600 2.631 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 -3.763 -1.387 -0.312 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 19.749 -18.902 1.259 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 2.438 -2.473 -0.648 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 -3.519 -0.025 -1.319 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 9.958 -7.041 -0.941 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 -12.712 -5.867 -3.764 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 -0.879 5.158 -0.762 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 -18.086 22.137 -8.827 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 17.446 17.713 8.648 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 -0.760 1.887 7.616 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 -23.649 -13.844 -4.166 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 -11.095 13.484 29.847 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 -0.318 2.152 -1.821 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 -2.137 4.189 8.783 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 27.213 2.578 16.726 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 2.574 2.749 -0.205 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 -39.066 25.929 -5.109 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 1.494 -3.709 1.689 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 0.636 1.327 1.175 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 0.786 -0.095 2.720 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 4.602 16.307 -3.359 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 -2.883 -1.892 3.320 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 -17.864 -12.320 10.346 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 -12.467 -8.472 8.413 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 1.186 -3.708 -0.797 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 -13.431 -22.509 -5.831 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 -1.074 -10.656 11.819 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 0.183 -9.636 0.935 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 -9.286 -19.124 19.226 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 -10.922 -10.386 10.567 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 1.422 -0.887 4.521 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 2.271 0.687 7.543 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 -0.409 1.374 -2.583 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 -6.008 3.149 -8.390 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 -22.887 1.831 7.105 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 -4.456 8.358 -15.025 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 2.786 -7.240 -1.268 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 -7.749 -3.616 -4.309 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 -7.224 -9.443 0.559 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 0.186 1.736 3.860 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 6.814 13.994 3.191 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 -5.770 -3.556 15.292 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 -5.312 5.973 -6.887 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 -8.171 17.732 -5.650 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 -0.617 -0.894 6.069 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 -1.582 2.806 1.763 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 -6.591 -9.403 27.842 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 5.280 23.422 -39.124 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 3.810 2.870 2.172 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 19.042 4.418 -15.405 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 -28.122 -0.979 39.821 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 0.278 -2.332 -6.402 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 3.054 0.236 0.259 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 2.856 -6.117 2.978 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 -3.953 -2.371 -0.074 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 10.660 -3.890 -9.110 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 -19.868 -6.709 -2.109 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 1.846 -6.085 -2.436 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 4.174 -0.122 11.901 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 34.953 4.005 -18.850 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 -0.901 3.925 1.429 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 6.379 6.165 -4.903 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 -20.139 1.579 13.834 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 -5.787 -2.792 5.210 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 -4.923 -13.316 3.431 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 -5.516 -10.375 5.466 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 1.670 3.030 -2.879 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 -4.922 0.036 -1.920 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 13.156 -2.658 2.725 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 2.830 7.070 1.206 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 -9.021 -2.879 -7.438 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 -0.922 -4.269 -9.643 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 -7.263 -0.188 -1.618 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 -1.684 5.440 23.276 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 13.343 8.451 9.124 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 -1.385 5.074 -1.502 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 -11.306 4.085 -3.886 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 3.222 -2.108 2.321 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 2.618 2.796 -0.562 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 3.777 6.407 6.815 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 7.119 0.164 -1.849 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 -0.914 5.427 -2.176 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 -6.924 6.420 -3.050 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 -2.365 3.179 4.813 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 -1.580 -0.302 -3.048 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 -7.008 16.568 12.209 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 18.217 4.624 -17.915 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 1.862 6.152 0.450 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 5.158 5.882 6.152 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 1.337 15.133 -7.073 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 1.146 1.500 -7.921 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 -1.235 23.635 -26.179 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 5.526 0.214 -4.613 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 -0.692 2.476 1.909 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 -21.134 7.543 1.947 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 9.742 -14.280 -10.545 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 3.399 3.334 -3.131 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 1.660 5.258 -3.683 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 3.243 16.163 11.529 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 0.147 -1.119 -0.171 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 -7.395 1.135 -10.647 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 1.986 -3.612 15.621 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 2.885 -5.407 3.223 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 16.006 6.759 -2.237 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 -2.126 -1.242 -12.346 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 1.549 -3.766 -1.703 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 3.516 2.069 -1.731 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 5.823 6.317 6.959 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 -2.680 -1.201 1.680 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 14.142 -5.162 6.025 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 -5.440 -16.403 -3.336 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 3.413 2.699 -3.118 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 6.725 15.555 5.304 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 18.482 -15.919 6.683 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 1.822 0.073 -7.202 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 6.294 10.752 -4.746 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 -5.003 -24.418 -15.451 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 1.989 -3.779 -0.117 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 -27.878 -0.238 19.471 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 1.618 -3.022 -3.620 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 -6.501 -1.189 -1.884 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 32.629 0.274 -20.514 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 -4.352 -1.209 -2.457 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 2.046 -1.228 7.156 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 2.414 2.460 8.795 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 -12.553 -13.266 1.127 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 -2.211 0.671 -7.530 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 -0.518 -11.074 5.005 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 -9.946 8.975 0.059 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 7.739 4.477 -3.167 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 0.134 -3.663 19.272 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 24.631 -9.511 -10.833 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 -0.083 -0.992 -1.355 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 -3.813 -5.314 -1.995 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 22.360 12.937 6.140 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 -5.893 -3.281 4.825 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 -8.820 -18.148 42.115 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 -5.364 0.161 9.635 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 -3.214 2.208 -4.942 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 -9.294 -1.467 -8.723 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 -2.115 -2.975 -9.803 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 -1.523 5.701 -2.075 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 1.365 0.431 2.117 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 1.206 10.293 -5.190 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 0.235 1.818 4.584 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 -0.132 6.706 5.609 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 -4.246 -6.099 5.147 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 -0.036 1.036 -1.816 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 -2.709 -14.754 -11.153 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 6.477 11.855 2.903 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 2.881 2.891 -2.859 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 9.311 -16.443 5.631 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 -5.750 13.552 4.292 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 -3.916 5.952 -1.007 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 -10.841 -12.228 -3.378 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 10.023 0.349 6.862 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 -1.262 -3.453 -0.031 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 5.677 -2.829 -14.393 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 -6.435 -2.103 9.061 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 -3.467 6.131 -3.362 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 -5.761 -0.873 -0.204 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 6.127 -13.599 -0.347 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 0.397 5.951 -11.256 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 -3.636 9.640 -24.358 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 -17.275 -5.976 1.533 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 3.941 5.242 5.214 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 2.155 18.608 5.769 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 -9.235 -0.097 5.242 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 -4.296 -4.084 6.262 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 -18.385 -0.657 2.978 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 -8.016 -7.560 20.884 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 5.574 4.841 -3.085 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 3.969 -11.471 3.499 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 4.857 -1.679 2.579 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 3.462 4.140 7.125 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 -0.422 28.556 -7.436 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 5.687 15.359 -12.078 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 -4.072 0.138 2.293 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 16.087 15.961 -23.520 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 -10.870 -12.117 5.849 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 1.503 2.020 -1.661 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 4.545 4.526 -1.062 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 0.852 14.635 -1.178 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 -1.393 -4.238 -4.602 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 -9.261 -10.189 17.852 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 0.508 -20.325 -5.411 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 -2.858 -2.170 1.980 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 17.782 3.037 -12.630 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 -0.133 -7.989 28.708 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 9.596 2.625 -3.601 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 35.110 -9.385 8.015 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 7.958 30.941 8.154 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 -0.823 -4.357 -1.195 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 1.816 3.708 -12.466 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 27.141 6.479 10.693 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 -4.104 -7.293 3.088 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 0.273 -12.299 36.927 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 4.902 11.501 -14.065 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 -2.137 -4.264 -2.790 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 -6.250 -1.832 -4.687 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 -5.429 -10.209 5.035 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 -4.747 2.120 3.944 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 -5.878 15.805 25.764 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 9.403 -23.118 -8.909 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 -0.806 -4.424 -6.007 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 3.456 0.426 -3.064 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 0.768 -1.438 -8.678 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 -0.368 -9.020 -1.063 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 0.317 -3.819 2.778 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 4.548 -18.868 0.311 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 -2.272 -5.040 4.871 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 -44.488 3.070 -22.026 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 0.390 -3.906 -7.353 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 -3.750 -5.224 1.428 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 -4.406 -16.956 -18.309 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 -4.478 -2.598 9.955 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 -0.543 -3.964 -1.618 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 -5.089 3.340 -0.776 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 9.240 -13.422 0.923 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 5.647 0.999 0.005 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 3.090 11.339 -0.304 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 2.791 1.908 5.453 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 4.850 -5.667 -2.227 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 -20.975 5.069 9.148 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 -19.528 12.933 7.027 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 -5.124 0.869 3.904 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 -4.298 -15.144 -5.920 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 5.720 10.225 -6.062 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 5.942 1.680 3.255 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 0.205 6.335 -1.749 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 3.822 13.180 -21.471 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 -2.743 -1.621 1.828 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 2.723 -7.033 -1.351 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 -2.313 -16.010 -13.456 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 1.273 -2.482 -6.059 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 -20.486 -0.635 -7.251 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 3.622 -25.388 -1.422 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 -6.506 -5.224 1.446 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 7.737 -2.326 -5.102 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 -1.400 -21.304 10.420 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 4.430 3.823 0.732 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 -5.076 9.257 0.134 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 2.955 -18.698 -11.963 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 -4.186 -5.440 -3.589 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 3.449 -23.236 8.334 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 13.686 9.915 3.495 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 -2.715 -7.847 3.637 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 1.052 -28.448 24.115 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 4.458 8.790 -14.676 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 4.997 -1.274 4.542 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 5.313 -7.190 -17.130 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 -5.382 16.149 28.404 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 -1.878 0.941 -0.200 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 -15.124 -8.873 9.601 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 -3.321 4.490 -9.274 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 2.635 -4.927 1.859 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 26.780 15.151 -5.023 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 -0.963 -2.744 9.393 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 -4.979 -7.148 1.963 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 0.578 -10.335 5.719 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 -3.006 -13.531 4.921 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 -1.169 -2.201 0.778 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 -3.237 -11.030 -14.649 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 12.912 -5.414 -23.114 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 2.055 2.920 4.828 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 1.266 6.703 0.950 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 -1.817 5.468 9.190 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 5.137 0.833 3.905 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 17.011 3.918 -6.918 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 -9.108 28.818 19.297 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 -5.611 5.808 0.576 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 -9.582 6.983 16.614 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 -4.614 7.943 0.321 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 2.435 0.971 1.437 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -3.087 -6.289 -0.451 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 15.568 13.032 2.502 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 2.966 0.799 -3.787 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 20.998 -20.221 -14.787 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 14.201 4.193 0.781 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 -3.559 -0.813 0.350 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 -31.940 -12.429 -0.841 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 9.851 6.448 8.018 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 2.547 -9.543 4.131 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 6.836 21.770 7.311 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 4.049 -20.379 -2.539 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 4.467 -0.717 6.825 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 16.181 -2.737 17.326 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 9.961 12.503 -16.125 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 -3.314 -2.539 -1.582 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 -7.772 -4.552 -5.144 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 -9.083 -10.130 -1.441 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 -1.155 -0.823 -1.143 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 5.597 -1.820 14.390 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 -1.444 0.231 3.277 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 -5.733 3.168 2.619 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 -3.063 -17.164 8.710 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 -15.018 -16.291 0.834 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 -7.354 3.497 -1.330 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 32.502 17.753 -5.483 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 -4.833 3.011 -11.036 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 -4.157 -0.563 0.570 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 -1.012 -9.472 18.010 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 11.349 -14.355 -17.383 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 -0.262 1.225 0.560 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 6.880 6.492 -2.128 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 18.298 -3.297 -8.568 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 -1.106 2.812 0.112 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 -11.573 12.580 16.069 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 0.304 4.032 -7.543 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 1.170 3.367 -0.507 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 31.155 -8.101 -2.774 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 -17.399 9.426 37.567 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 -2.456 2.135 -4.352 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 6.177 -4.417 -27.632 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 15.915 6.886 7.565 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 -0.023 4.215 -9.782 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 14.932 -2.297 12.293 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 6.807 6.784 -12.238 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 -1.759 -7.447 -3.744 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 -3.988 -0.229 6.668 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 -5.342 15.760 12.982 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 -1.507 5.056 -2.043 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 9.494 14.626 -7.355 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 -7.335 -0.201 -10.285 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 0.337 2.968 -6.169 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 14.421 -1.970 8.352 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 -1.604 -11.933 0.532 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 -1.319 3.531 0.749 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 -5.434 -9.894 -1.054 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 11.287 4.234 4.813 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 -0.165 4.769 -1.493 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 1.900 5.048 -0.731 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 -6.289 7.917 0.101 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 -5.907 -7.268 -9.580 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 -14.479 2.126 -2.937 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 -14.464 2.334 -3.375 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 2.349 -2.944 -4.827 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 3.636 -6.402 -10.556 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 0.901 3.714 -7.731 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 2.618 -0.369 -5.827 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 0.976 -0.897 -1.751 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 25.799 7.880 6.631 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 5.591 1.664 -7.825 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 4.220 -5.922 -6.605 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 3.713 22.549 -6.673 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 7.420 -4.034 5.795 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 -1.508 -10.435 -4.511 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 13.077 -1.894 0.186 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 -6.433 3.301 2.850 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 14.917 10.463 -0.730 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 -12.227 19.255 18.411 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 0.263 3.933 -2.972 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 -9.253 5.846 8.220 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 -16.203 4.323 2.728 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 6.101 1.616 -1.384 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 -20.461 -6.141 -15.648 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 27.081 3.911 6.823 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 2.486 2.071 -0.330 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 16.736 -0.130 -4.185 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 3.948 14.568 -21.308 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 -0.159 3.838 4.202 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 14.066 6.077 2.976 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 6.971 2.643 1.051 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 -3.182 -3.953 4.081 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 19.142 -25.672 -6.934 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 7.535 0.499 17.710 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 -1.373 4.184 -0.642 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 7.725 7.744 5.158 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 -4.796 -1.687 3.628 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 -0.933 -8.457 2.445 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 3.701 -11.978 35.283 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 27.897 -12.343 -12.955 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 2.071 -1.637 -1.426 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 -0.804 26.324 -28.960 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 1.021 -10.910 6.438 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 -1.488 7.789 -4.763 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 -9.198 -10.769 -8.123 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 2.882 13.744 -7.634 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 3.810 3.419 -3.251 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 -2.839 7.493 -8.831 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 -8.448 6.450 -11.725 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 -4.188 0.019 1.081 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 -1.249 1.056 -2.829 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 13.093 -10.138 -13.319 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 2.405 3.122 4.249 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 12.058 -16.326 8.900 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 12.846 -17.342 13.612 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 -1.244 -0.356 5.030 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 -5.318 -8.651 19.106 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 6.114 5.090 -14.323 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 -1.884 -0.124 -3.864 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 -24.539 -21.433 -18.288 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 -0.843 8.080 12.055 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 -4.416 5.187 2.836 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 -1.566 3.652 -7.654 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 1.970 0.117 14.901 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 0.119 2.854 2.231 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 -6.753 -12.240 -11.721 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 -15.195 9.897 11.274 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 4.229 -2.298 -3.850 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 5.522 15.115 1.344 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 -17.507 -5.606 5.432 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 0.600 -2.341 3.778 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 8.041 -6.101 -0.800 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 -12.020 0.533 -6.314 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 5.753 4.072 8.093 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 19.321 9.839 -2.264 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 -3.315 -5.916 10.689 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 2.949 0.050 0.072 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 0.602 4.666 5.715 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 5.404 -5.844 -7.445 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 3.497 -5.775 -1.041 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 -3.751 -7.831 -4.697 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 8.057 5.249 -5.749 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 -3.269 6.252 -0.001 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 0.711 -0.599 2.863 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 0.254 13.591 -7.365 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 -0.019 -4.056 -2.866 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 18.273 0.636 17.514 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 10.035 -4.717 -18.787 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 -4.514 2.634 7.329 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 4.277 -23.649 20.658 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 0.750 11.509 1.377 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 -5.327 -4.730 0.004 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 14.536 -6.901 -4.018 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 -11.525 -1.246 5.551 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 5.694 3.249 -6.583 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 2.055 -0.917 -4.511 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 -2.229 -12.529 2.647 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 -1.283 -5.625 0.557 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 -9.860 -7.956 2.235 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 -0.116 -15.441 -5.246 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 -7.000 3.688 -3.529 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 0.999 -30.326 -17.243 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 -9.430 9.604 16.459 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 -3.843 1.308 1.452 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 8.647 -5.219 1.380 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 -5.463 8.268 18.498 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 1.314 5.042 3.622 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 16.385 20.957 4.355 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 -2.088 3.636 5.365 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 -8.361 2.335 6.709 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 -6.443 23.948 -2.806 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 17.843 19.887 2.496 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 -5.638 -5.197 1.697 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 -0.359 -3.357 3.622 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 4.871 0.832 4.790 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 -2.195 -7.219 -3.390 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 -4.445 -0.942 -0.355 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 -23.442 15.443 -6.432 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 3.551 3.954 -0.248 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 14.758 -19.196 -0.573 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 -3.535 15.297 2.098 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 2.864 -0.162 -3.550 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 5.977 9.949 3.489 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 19.209 -0.594 -11.241 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 2.900 2.109 0.416 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 -2.387 -1.434 4.920 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 7.457 1.590 -10.134 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 -3.269 2.738 -4.023 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 -10.061 -10.063 -6.406 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 4.374 26.262 14.347 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 -1.261 -1.024 0.873 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 8.658 -10.869 -4.860 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 2.782 -1.534 -8.477 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 6.677 0.080 2.024 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 20.763 5.848 15.776 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 -11.045 -1.170 4.402 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 2.686 -3.096 -7.905 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 1.033 -3.263 -9.744 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 7.864 -7.365 0.268 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 0.710 -3.685 -6.356 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 4.329 3.669 5.743 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 -14.063 -4.407 -6.844 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 5.790 -0.616 1.344 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 10.012 -1.709 -0.177 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 2.781 -0.131 6.320 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 1.605 3.525 -10.488 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 0.002 9.988 0.116 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 16.949 -6.884 10.640 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 0.501 -4.775 12.529 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 -1.453 -8.724 8.986 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 16.029 18.608 -7.579 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 -1.876 -3.477 -3.988 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 -12.805 4.270 -14.669 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 8.436 9.586 0.405 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 -2.313 -7.097 9.246 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 -3.085 5.784 2.643 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 21.751 -18.275 6.530 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 -5.935 4.331 -1.425 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 -15.888 -1.862 -7.003 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 0.737 -6.699 -4.488 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 -3.113 0.311 -2.299 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 2.549 -9.101 5.933 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 1.038 -10.661 6.686 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 0.163 -5.374 0.845 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 -7.684 -14.701 -2.468 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 9.386 -11.623 -3.354 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 0.323 -2.567 5.571 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 -3.546 5.212 -4.954 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 -9.067 1.981 19.142 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 6.754 0.537 4.334 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 9.766 -5.913 -8.537 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 -6.543 -2.203 7.309 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 -1.222 -2.704 -1.014 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 -1.553 3.095 -0.933 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 -2.982 -11.294 -1.109 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 -1.857 1.827 2.396 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 9.036 3.723 20.935 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 6.492 6.817 -10.284 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 2.914 -3.756 -1.554 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 0.358 1.022 -3.357 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 4.812 -0.422 -3.137 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 -1.562 3.616 6.043 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 1.897 -3.932 7.649 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 -12.042 7.397 1.086 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 4.690 4.819 5.307 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 11.249 8.862 -2.951 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 -3.104 -4.809 -4.901 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 -7.298 -0.590 3.681 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 13.403 -2.998 -10.489 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 -18.935 -1.101 0.758 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 3.612 -2.618 7.302 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 -0.078 4.950 -13.554 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 -2.272 -3.031 0.329 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 -6.692 0.080 1.995 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 -17.318 -8.245 4.684 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 0.436 -7.641 -15.187 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 -3.774 1.721 0.334 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 -19.035 4.430 4.878 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 6.623 14.380 -2.648 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 3.114 0.377 -4.765 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 8.367 -9.360 -13.669 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 4.322 -3.421 -0.555 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 2.824 -1.497 4.988 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 -3.441 -4.806 9.229 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 6.326 -2.378 -2.347 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 2.199 -5.720 5.797 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 11.238 -12.648 -2.837 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 11.664 7.373 13.440 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 1.781 -0.096 3.764 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 3.589 0.570 7.339 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 2.787 1.130 -1.626 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 -3.399 -0.092 -1.436 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 -10.104 -9.432 -5.287 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 15.637 17.451 4.112 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 -2.005 -3.865 0.548 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 11.358 -19.371 -1.914 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 -17.177 -11.656 -8.795 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 3.646 0.202 -0.978 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 -11.695 -3.468 0.583 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 -17.497 -1.702 7.682 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 3.820 -7.352 -2.178 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 -10.685 -16.506 -6.448 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 -46.324 -5.826 36.345 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 1.316 1.311 -6.760 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 -11.045 4.685 -6.082 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 9.346 3.679 -9.066 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 -0.717 8.303 -3.529 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 10.821 14.612 39.560 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 0.678 -9.251 -0.209 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 -1.942 4.398 4.202 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 1.714 16.922 -12.059 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 1.375 1.894 17.380 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 1.184 4.449 -5.692 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 -6.321 -15.231 0.553 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 2.146 18.920 5.073 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 -1.677 -0.667 -2.720 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 -24.337 -13.960 -10.943 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 4.614 5.656 -1.282 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 4.831 1.114 -3.003 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 13.326 6.052 11.170 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 -9.383 9.863 -0.405 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 6.225 -1.884 2.336 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 -1.875 -6.679 0.522 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 14.089 7.042 4.358 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 -0.585 -1.136 3.294 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 -11.921 -8.150 16.142 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 -4.480 -0.736 -19.820 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 3.123 -1.507 -4.330 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 6.255 -7.080 3.805 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 -5.668 -3.271 4.335 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 2.360 1.264 6.221 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 30.289 10.338 1.702 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 -24.315 -11.915 3.136 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 -1.980 -0.269 0.929 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 -1.302 -9.297 3.745 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 -2.283 18.550 -4.794 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 -5.036 2.245 3.400 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 -0.193 28.398 10.242 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 4.079 -0.813 -19.723 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 1.316 6.868 1.171 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 -3.843 12.461 6.231 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 10.707 -19.879 -22.560 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 -8.504 3.907 -1.932 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 0.972 -9.445 -5.822 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 -15.330 25.446 -5.484 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 -0.021 -4.593 -3.825 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 4.236 -5.607 -9.007 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 7.714 0.952 2.196 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 -1.727 1.690 5.188 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 2.152 23.355 -11.172 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 -13.250 13.181 28.812 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 -8.630 4.493 -1.522 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 -11.158 6.735 -8.079 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 -5.405 -1.279 10.740 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 3.182 -7.830 1.523 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 1.829 10.240 -14.046 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 6.734 -4.997 -10.099 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 -2.108 -4.090 0.074 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 -8.056 9.098 -5.315 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 -17.899 -3.238 2.561 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 -0.046 -5.643 -4.021 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 -0.999 -2.934 0.351 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 4.632 10.328 16.780 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 -0.837 0.156 2.449 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 -3.490 -5.234 19.990 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 1.208 4.559 -4.707 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 0.744 -1.947 3.535 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 4.505 -7.763 10.447 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 12.677 9.756 -1.651 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 5.815 0.904 4.152 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 -9.374 -1.293 1.178 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 10.991 -17.469 0.600 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 2.971 -1.228 -0.461 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 5.406 -9.667 5.679 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 -5.911 -5.755 -7.495 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 0.029 -1.311 -1.559 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 1.947 -3.425 0.594 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 2.244 -2.405 2.628 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 0.556 5.931 -5.398 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 -3.615 -12.346 0.515 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 1.674 -11.695 10.484 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 -3.258 -3.429 4.796 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 -7.880 -1.103 10.655 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 -4.048 -18.393 -4.225 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 -3.006 1.205 9.653 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 -2.040 1.426 6.808 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 -0.338 1.506 8.113 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 -0.487 -0.961 -0.157 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 -2.870 3.699 0.516 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 -17.136 22.825 2.732 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 3.357 0.277 0.363 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 10.941 0.042 36.276 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 -10.710 11.768 -14.456 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 3.302 -1.638 -3.888 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 -10.263 -9.081 6.190 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 -9.490 1.001 -24.977 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 0.462 0.629 3.949 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 4.911 7.197 -2.752 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 8.852 -1.428 15.315 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 3.719 2.402 -6.079 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 7.307 -11.864 -1.452 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 10.392 16.131 7.078 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 0.166 -0.189 -6.175 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 13.784 -21.970 2.270 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 -5.910 -1.301 -27.453 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 -3.726 2.249 -5.252 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 1.042 11.105 -30.462 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 -5.051 1.267 1.607 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 -2.480 6.924 2.174 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 -11.343 -1.760 6.130 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 7.438 5.632 9.619 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 5.238 0.226 -3.787 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 -37.473 -26.635 2.564 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 9.553 -1.757 15.526 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 -4.062 4.398 -0.570 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 -11.582 -5.988 -3.617 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 2.450 11.384 -3.360 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 -1.295 5.238 7.652 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 17.929 -5.644 10.465 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 -17.123 2.443 5.225 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 -1.270 2.140 2.372 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 -19.788 16.450 -13.273 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 18.252 3.725 12.958 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 -1.606 1.750 5.291 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 0.123 1.079 -5.051 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 -2.297 3.427 -1.041 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 -1.880 -0.396 0.441 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 12.945 0.831 -12.057 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 7.275 -7.296 13.170 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 -5.529 -6.808 4.550 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 2.346 -10.266 -15.135 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 15.183 2.297 -24.868 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 1.164 13.226 -3.093 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 -14.803 24.887 -5.652 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 -4.855 -7.878 -7.578 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 6.876 -0.671 -2.277 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 1.713 17.649 1.290 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 16.398 -6.518 -25.114 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 -0.184 1.282 6.374 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 4.447 -3.905 6.756 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 9.220 -8.838 15.842 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 -0.804 4.761 -0.073 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 -13.355 5.351 -4.707 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 -7.948 -4.039 -0.112 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 -1.454 -4.296 -3.442 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 17.262 24.209 0.390 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 12.639 10.666 -1.304 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 -4.178 0.427 2.086 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 -21.466 2.713 -5.073 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 0.917 -2.286 2.573 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 -6.594 -4.190 -9.685 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 -7.911 6.615 -7.861 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 -3.315 -0.103 -9.956 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 -6.381 -0.443 8.397 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 1.133 11.929 0.382 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 -13.709 -13.969 18.152 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 1.637 0.995 1.604 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 2.430 5.754 -0.162 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 1.164 -1.089 0.662 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 -4.515 -10.979 -3.507 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 8.097 -3.898 9.427 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 -18.883 -17.771 5.346 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 -8.390 -1.823 -6.540 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 5.836 10.721 11.195 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 6.728 -4.021 -2.455 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 -5.603 -5.424 7.820 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 14.025 -1.489 4.788 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 1.234 -0.827 6.593 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 -5.057 -1.158 -2.854 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 3.178 -1.813 25.264 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 -6.966 -3.642 4.227 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 -6.034 4.430 3.487 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 -17.418 8.619 4.319 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 4.825 -1.023 -2.393 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 4.352 5.309 2.316 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 -1.382 -14.411 13.390 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 13.438 -6.727 -21.669 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 -2.606 -3.272 3.778 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 -9.897 -4.964 -4.760 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 6.618 -3.023 12.900 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 -1.193 1.137 -2.598 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 10.441 2.494 1.824 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 32.710 4.559 10.353 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 -0.713 7.763 -4.854 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 27.751 -1.753 3.182 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 22.984 -23.621 10.254 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 -0.002 3.829 4.712 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 -9.078 13.871 6.412 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 -4.388 2.057 -9.993 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 1.122 -1.235 -1.777 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 -0.377 0.560 10.242 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 0.513 9.873 -7.216 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 5.958 -11.543 -2.572 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 -6.267 0.893 0.546 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 17.066 -4.541 -13.415 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 3.139 -1.673 -4.554 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 11.915 3.345 3.295 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 7.636 -3.475 -8.543 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 6.055 -1.692 -2.173 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 26.644 -12.607 -14.902 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 -8.651 5.168 -22.006 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 -5.752 -3.508 5.346 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 5.277 -4.465 7.479 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 -14.106 7.106 10.831 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 -4.449 -4.404 -2.341 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 -1.877 9.730 11.887 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 2.126 -12.772 5.327 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 -6.270 3.647 -3.482 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 -4.649 14.488 4.034 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 -27.770 -18.022 10.697 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 2.104 2.873 4.101 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 -8.833 -1.811 -5.492 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 0.458 -1.528 -0.499 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 -9.146 -1.709 -2.421 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 -0.871 -2.827 7.380 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 -6.348 1.285 3.238 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 0.589 2.792 5.584 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 -0.243 1.410 5.815 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 -16.099 6.609 5.820 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 -3.538 4.427 -3.461 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 -5.516 1.534 -1.456 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 -6.692 1.581 -1.954 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 0.955 -4.693 4.909 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 -10.349 -11.405 -6.629 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 22.847 -3.311 -2.088 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 1.035 -1.667 -0.413 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 -10.475 -11.069 7.325 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 3.245 -20.703 -9.514 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 6.910 -8.475 -4.548 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 17.194 -12.357 -7.100 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 -8.642 -16.350 6.100 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 -3.764 2.180 5.128 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 12.860 10.865 11.417 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 10.775 -15.245 5.311 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 0.516 -4.495 -5.791 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 12.616 1.880 -11.146 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 -1.297 6.957 -6.491 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 1.252 -0.917 5.076 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 -0.794 -7.525 7.083 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 4.853 -1.863 1.488 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 4.285 6.159 -2.104 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 4.903 -4.018 -10.176 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 3.035 0.601 11.439 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 0.829 -4.725 -7.086 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 8.888 -6.820 -5.587 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 -0.410 -12.963 -2.444 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 -6.954 1.008 -6.899 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 -7.642 12.222 -3.354 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 6.707 11.268 -19.983 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 -2.923 -0.654 -2.245 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 -4.276 -7.094 1.084 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 5.105 6.599 -1.536 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 0.221 -1.769 -1.871 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 3.411 -11.319 -11.408 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 -3.577 9.729 11.036 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 3.658 -3.846 -2.323 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 -8.468 -20.142 14.629 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 26.167 -3.425 -5.535 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 1.584 2.726 -1.202 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 -9.849 -26.941 -1.496 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 2.380 3.198 -1.544 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 -1.711 -3.763 -1.062 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 -13.619 8.991 4.366 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 5.462 -17.485 13.406 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 8.289 1.514 -4.667 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 -0.106 16.840 2.763 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 24.027 2.774 2.746 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 -3.173 7.175 -5.672 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 -5.765 -5.061 -8.438 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 -2.454 18.313 4.629 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 -1.727 -2.241 -3.966 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 -0.017 6.138 10.599 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 6.189 -6.822 -2.523 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 -2.886 -0.471 -3.742 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 -13.514 -6.991 6.091 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 -9.125 23.889 2.623 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 1.007 2.956 2.020 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 -17.500 0.314 4.340 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 8.245 -17.654 -5.293 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 -1.737 2.409 -0.922 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 18.581 -2.617 -1.945 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 -12.743 1.983 -20.187 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 -2.521 0.317 3.012 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 -0.477 0.318 2.345 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 -7.261 1.530 6.860 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 -3.822 0.350 -0.439 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 17.724 13.907 -3.939 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 -14.239 -28.799 14.771 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 1.911 -1.595 3.177 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 -4.175 -3.718 -19.673 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 -3.820 17.675 13.113 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 -0.627 -5.287 -1.449 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 -6.382 -10.602 -5.987 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 9.646 4.034 4.216 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 -5.710 0.619 -0.319 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 14.488 -3.064 -4.543 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 -2.624 -1.284 18.452 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 -1.305 -4.888 -3.786 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 18.400 -30.449 -29.080 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 13.480 2.037 8.539 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 -0.089 -6.664 -7.741 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 -15.309 -5.687 -11.625 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 -0.381 -0.634 0.501 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 3.188 3.098 -0.474 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 -8.198 12.259 -5.771 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 -8.860 24.686 -2.422 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 -1.021 -0.475 -1.319 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 -3.740 -0.409 -14.554 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 -0.502 4.025 6.890 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 -2.656 -6.036 1.332 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 -1.486 13.199 -1.052 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 10.283 -8.624 17.719 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 -2.637 3.097 5.584 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 -9.245 7.276 -0.812 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 -3.571 -5.086 0.466 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 -6.456 -1.198 3.204 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 -37.594 -2.023 -1.133 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 1.966 3.817 9.266 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 -5.261 4.050 -1.993 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 -4.653 7.806 -5.127 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 2.990 10.755 4.550 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 -1.653 -2.548 -3.992 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 -11.512 0.661 3.748 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 -10.944 -9.446 6.284 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 -5.071 -0.361 2.261 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 -12.734 5.413 22.899 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 23.911 6.064 1.187 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 -1.809 2.020 -1.932 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 4.958 8.088 -3.397 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 -1.185 -0.903 -3.890 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 4.730 0.150 -6.804 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 -12.858 8.667 -7.464 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 4.432 -0.838 -6.461 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 -0.440 -3.903 -5.685 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 -9.148 -25.704 -15.947 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 9.656 19.000 0.841 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 -1.005 -4.293 -0.523 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 20.031 0.649 24.638 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 20.889 -21.577 -5.185 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 -3.905 -1.815 -0.472 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 -1.507 5.771 4.620 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 2.800 -4.821 -4.078 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 -4.013 1.232 -4.002 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 -31.318 8.688 -28.351 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 -13.739 -5.516 -0.468 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 5.359 1.187 3.262 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 7.755 5.131 -16.245 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 4.670 -17.015 11.970 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 3.744 3.919 1.828 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 2.327 4.543 10.619 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 8.343 -0.515 -8.472 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 3.163 6.467 0.003 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 8.155 4.349 16.292 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 12.386 11.597 -5.580 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 -3.902 -3.481 -0.304 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 -10.690 20.639 19.809 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 -7.570 -11.457 -8.430 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 -5.986 -2.895 -2.044 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 -11.426 10.277 20.339 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 -18.337 4.599 -17.374 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 2.876 -1.953 -0.167 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 -5.368 -6.954 -10.638 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 -0.542 -2.062 19.159 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 0.253 -9.639 4.174 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 5.474 -9.382 0.955 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 6.935 12.081 13.190 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 2.752 6.225 -2.849 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 6.991 -3.850 -6.950 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 -2.638 5.852 -6.688 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 10.553 -0.009 -1.291 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 -18.129 -19.863 -9.206 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 12.407 5.532 -5.935 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 3.222 3.736 0.357 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 17.108 -12.223 -4.560 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 -0.044 18.729 15.241 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 -4.402 -2.027 2.368 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 -7.630 -6.939 -2.658 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 -4.915 -1.760 6.733 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 -5.204 -4.492 -3.226 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 -0.546 -15.537 1.810 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 3.410 -20.945 5.514 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 -6.173 -2.307 -6.329 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 0.133 -19.174 -14.359 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 1.927 -13.007 -6.544 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 4.949 -7.979 0.986 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 13.633 -3.220 22.110 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 -0.555 -1.221 -5.145 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 3.100 -0.082 -8.924 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 -15.178 -5.696 -13.332 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 6.113 -2.911 9.420 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 6.123 -4.958 -5.217 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 7.785 11.513 -20.561 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 13.959 14.671 -17.577 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 0.391 -0.319 3.621 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 -2.630 2.307 -5.122 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 21.194 -23.598 5.751 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 4.357 -1.296 -3.516 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 9.197 -7.089 -1.614 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 3.744 -6.388 -5.049 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 0.397 -4.119 4.899 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 14.852 4.191 25.461 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 -3.792 4.323 -1.709 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 -7.368 -1.769 -0.880 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 -10.737 10.326 -13.796 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 -17.861 9.355 13.832 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 8.035 1.874 -1.583 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 3.970 -4.553 -1.299 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 8.467 2.882 -1.363 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 -1.791 3.301 0.084 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 13.477 33.288 7.643 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 -5.088 3.071 2.812 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 2.498 8.567 1.498 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 -5.567 3.274 8.708 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 -1.439 6.341 7.335 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 -4.850 -4.836 -3.495 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 9.281 -17.627 -9.783 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 2.860 -2.199 -5.488 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 1.866 -2.345 0.211 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 4.802 -2.874 -19.773 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 -7.706 16.326 5.332 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 0.243 -6.078 5.791 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 15.222 -1.469 0.711 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 10.127 -6.482 3.597 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 2.218 7.737 -0.312 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 17.413 13.078 -15.371 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 6.189 -12.723 3.644 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 0.992 -4.944 4.820 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 3.944 2.365 4.686 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 17.873 -2.366 -10.842 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 -1.361 0.595 0.910 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 -1.066 -0.374 1.052 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 -3.868 17.621 -7.341 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 1.363 3.188 -2.136 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 -11.212 1.478 -9.113 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 14.026 2.890 -12.622 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 -4.712 1.933 3.453 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 5.618 -1.399 -19.830 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 3.287 0.705 -3.159 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 1.215 -0.626 0.096 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 -6.024 3.018 21.997 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 6.961 0.040 1.674 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 -2.108 -1.927 -4.801 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 4.317 -10.494 6.113 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 -14.671 35.242 -18.466 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 6.493 2.409 4.651 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 -10.305 -3.651 10.120 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 14.001 12.367 -19.795 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 -5.893 -1.692 -2.111 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 -13.263 -3.958 3.064 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 1.295 -1.840 -9.130 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 0.482 5.775 -9.000 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 3.274 13.355 1.302 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 -10.637 13.782 12.055 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 -4.294 -4.700 -2.337 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 0.473 -10.653 -42.068 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 -7.699 4.627 10.403 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 0.096 0.407 0.535 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 20.112 1.612 -10.228 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 11.267 -1.298 -9.258 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 1.505 1.358 4.255 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 0.469 -2.717 -1.747 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 6.780 -12.496 -0.069 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 -1.081 -5.572 -3.705 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 15.643 -1.969 -15.244 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 4.895 -3.859 -7.773 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 4.672 3.136 -3.436 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 16.624 -2.337 -0.248 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 2.468 0.344 0.291 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 -3.711 1.619 -2.214 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 4.362 1.269 7.150 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 7.898 -3.415 -13.373 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 -3.533 4.099 7.241 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 -13.343 2.297 14.608 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 1.049 -0.862 -5.125 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 0.599 -0.928 -0.252 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 -8.979 -17.537 -15.879 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 -7.925 -29.341 17.500 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 -1.256 3.217 0.841 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 -10.520 -16.205 -7.845 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 19.206 4.322 -3.463 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 0.907 -5.201 -2.758 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 -0.205 -0.572 11.368 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 20.024 -10.398 1.129 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 -5.916 2.321 0.110 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 -12.950 -1.445 0.688 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 4.116 8.755 -0.985 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 -0.570 2.854 -2.591 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 15.144 1.478 -5.944 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 -6.323 -2.733 0.337 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 -2.256 5.436 -6.040 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 -20.751 -20.029 -1.834 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 12.899 -7.571 -16.614 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 4.228 -5.281 -6.283 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 -8.002 -21.917 12.079 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 6.904 -1.511 1.481 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 -1.189 1.519 1.739 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 -38.689 -1.786 -11.351 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 -13.675 10.663 -0.115 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 9.911 3.212 -0.183 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 2.877 4.578 -1.606 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 -2.832 11.877 13.213 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 3.991 9.942 -3.209 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 -1.562 8.261 -15.736 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 11.242 6.758 0.635 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 -0.533 -2.744 -7.649 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 5.522 0.955 -14.111 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 5.935 -6.205 -7.259 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 2.941 -1.539 -4.710 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 20.592 -2.939 13.947 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 -25.825 -5.422 10.365 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 3.218 4.024 -3.686 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 -5.559 -3.395 0.004 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 14.483 -16.344 -21.326 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 3.650 -2.378 2.750 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 -16.181 -15.770 3.933 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 17.963 -0.241 4.114 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 -3.577 1.067 5.095 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 -2.030 0.764 2.347 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 -21.071 16.824 -8.353 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 -10.927 3.491 -1.914 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 -7.315 0.041 1.575 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 -18.173 8.731 -8.405 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 -2.683 1.345 8.465 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 -6.015 10.051 12.509 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 -2.870 6.132 13.575 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 -5.736 3.410 0.878 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 -11.631 -4.903 24.034 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 20.662 4.394 19.246 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 -4.130 3.566 -0.779 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 4.544 -12.145 26.455 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 -32.890 -9.124 -9.411 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 -2.940 1.906 6.590 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 -5.785 -2.495 -2.331 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 2.762 3.252 7.902 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 0.422 5.792 11.532 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 -28.485 16.034 -28.945 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 24.070 6.498 17.431 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 1.629 -4.843 -1.972 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 0.781 -20.955 11.364 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 26.403 21.095 7.279 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 5.359 -2.901 0.695 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 2.504 10.743 0.920 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 -11.638 -12.573 1.127 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 1.232 -2.109 7.904 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 -14.829 -16.305 -13.249 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 2.377 -1.351 13.967 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 0.900 -1.332 -4.535 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 -10.969 -4.561 2.184 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 -8.303 5.994 14.587 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 -0.550 -6.311 -3.359 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 12.240 -2.490 -8.260 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 20.121 40.777 0.247 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 0.451 2.407 5.608 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 31.089 4.242 -9.486 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 0.191 -0.306 4.646 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 8.238 2.176 -1.728 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 11.928 -6.464 -5.551 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 -3.783 24.510 4.303 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 1.454 5.158 0.410 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 -5.952 15.977 -2.298 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 7.618 -9.300 -7.284 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 -1.589 -0.038 -0.768 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 -8.653 -4.865 -2.250 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 -1.085 8.875 28.134 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 -6.577 0.358 2.693 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 3.204 -11.474 -18.184 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 -1.674 7.438 -8.799 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 0.871 -0.223 3.495 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 2.002 -1.560 13.104 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 -7.653 1.898 9.306 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 2.474 4.096 -3.388 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 6.271 2.616 41.123 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 1.407 4.535 18.519 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 -6.626 -5.103 -9.279 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 -5.439 9.071 12.927 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 6.422 -12.319 -8.433 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 -3.270 0.505 1.863 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 -5.981 -14.412 1.537 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 5.958 12.898 -1.503 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 -3.663 -1.381 9.389 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 -4.466 -10.106 -5.915 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 -12.341 -14.652 6.074 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 -0.473 -8.414 4.894 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 -7.866 -3.555 8.923 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 4.642 -15.501 10.582 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 2.625 2.358 4.920 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 14.932 26.827 15.169 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 -29.301 8.181 7.339 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 -3.359 0.176 -3.521 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 -13.211 -8.645 20.081 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 13.173 0.623 5.597 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 -6.027 0.647 0.739 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 14.734 -21.222 -20.042 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 -30.129 -0.013 -6.322 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 1.717 -4.191 6.777 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 4.855 2.452 11.068 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 7.068 -11.935 4.284 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 5.003 1.949 0.890 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 6.522 3.569 -2.590 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 -11.564 -2.874 -4.808 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 -0.938 -0.303 0.045 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 19.765 8.283 -14.484 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 -7.652 -7.234 15.668 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 -4.578 -5.317 -1.762 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 -20.329 21.984 -8.542 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 7.970 19.320 -2.853 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 5.441 2.028 -1.817 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 17.597 -5.091 5.689 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 14.152 -9.706 1.959 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 0.396 -1.345 2.694 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 -3.517 1.115 11.557 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 -2.182 17.780 -1.400 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 -1.060 3.165 2.467 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 -0.218 -6.600 -4.255 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 -10.601 16.091 -6.946 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 7.336 -2.587 2.366 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 1.370 -2.566 0.846 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 8.058 -7.895 2.501 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 -3.819 4.035 -0.594 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 1.440 18.195 5.957 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 0.998 21.517 15.320 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 -9.801 5.154 4.586 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 -18.795 1.161 -4.780 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 -10.492 -0.972 -1.920 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 -3.121 -5.345 4.219 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 -0.184 -10.255 8.451 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 -1.243 -7.847 8.950 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 -12.087 -0.919 -1.928 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 9.138 4.114 -0.754 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 9.600 -7.794 -33.803 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 -3.621 5.498 -6.328 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 13.030 12.055 -10.795 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 10.087 9.783 -9.365 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 5.841 0.886 2.145 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 8.862 -2.419 5.765 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 4.503 -0.249 -9.466 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 -2.416 5.421 1.267 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 10.660 -0.889 -20.616 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 9.261 8.546 -17.138 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 -0.422 -2.160 -0.138 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 1.206 11.090 -11.881 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 -10.668 13.305 -12.419 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 0.306 -4.000 -0.188 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 14.743 -25.381 -22.799 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 13.699 4.998 -17.770 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 0.143 7.623 1.335 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 -5.544 17.338 -8.063 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 15.229 -21.406 13.969 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 -3.408 -4.679 1.715 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 -12.687 -6.053 -2.841 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 5.090 8.381 4.566 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 4.054 -3.780 2.126 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 -6.478 -15.777 -10.838 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 6.453 31.135 -2.609 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 -2.185 -4.643 -1.518 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 11.271 -6.333 19.565 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 7.542 21.698 -13.724 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 0.740 4.209 4.982 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 12.308 36.668 -13.196 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 11.254 3.678 -16.889 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 1.428 5.715 6.052 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 7.282 -3.255 -23.627 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 4.670 -1.237 16.761 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 5.835 0.012 7.675 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 6.128 -12.173 5.752 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 -3.883 5.869 3.561 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 4.302 5.673 -5.770 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 3.727 6.703 -4.941 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 -11.198 18.092 -21.321 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 -2.076 -3.493 -0.141 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 -8.343 -9.934 -6.437 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 1.713 -1.968 6.792 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 -0.226 6.041 0.068 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 -0.046 7.322 8.159 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 10.444 -5.934 7.337 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 4.115 2.160 6.383 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 24.503 14.778 5.992 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 -3.821 -3.475 11.321 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 -5.118 0.019 -1.838 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 11.219 7.530 -3.751 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 -12.751 -5.776 -1.522 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 1.029 -4.337 -1.389 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 6.599 10.202 -6.830 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 -0.505 0.063 -8.592 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 1.130 7.924 -5.210 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 -8.404 6.108 3.389 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 4.964 3.195 -9.547 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 0.236 0.129 -0.949 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 -14.309 8.293 4.143 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 -4.062 -22.864 -3.828 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 3.649 -1.372 2.432 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 -15.862 -6.244 -9.451 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 1.610 3.493 -14.747 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 -7.240 -1.566 -4.987 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 -17.481 -3.758 -6.889 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 4.843 -8.659 -17.548 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 -0.303 -1.986 7.428 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 -0.747 -1.259 10.908 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 11.547 -12.307 -21.856 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 -3.344 -1.937 2.000 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 -21.676 -27.232 -30.778 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 -5.818 -3.929 -4.701 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 -0.323 1.429 -1.893 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 -3.452 -9.783 -8.297 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 -10.134 5.739 5.633 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 -0.975 1.231 -3.253 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 -0.106 7.580 3.119 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 -2.288 4.948 2.712 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 0.855 -0.085 -0.830 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 43.477 -6.697 -9.390 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 -2.197 0.076 -0.699 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 2.244 1.912 -0.872 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 -11.297 10.595 -0.805 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 -22.723 -14.080 1.069 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 -2.425 0.995 -1.124 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 -11.985 12.068 -10.664 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 -26.799 31.898 -26.031 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 0.024 4.905 -6.465 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 0.077 4.145 -7.055 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 2.312 9.330 -11.857 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 7.232 1.460 4.990 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 -6.951 -14.841 -5.248 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 20.616 20.936 19.243 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 0.997 -4.708 -2.333 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 3.507 -6.945 -2.120 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 0.955 -7.410 4.995 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 -1.711 3.961 0.028 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 -4.714 4.710 -5.296 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 -4.916 2.664 1.997 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 3.702 -4.796 -1.517 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 -1.938 30.955 11.061 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 -19.303 -25.626 21.337 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 0.531 2.061 10.443 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 4.214 -5.445 21.448 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 3.455 -5.853 9.370 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 1.615 -4.257 -3.171 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 -6.903 -21.113 -16.687 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 -0.671 14.696 -16.509 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 -6.922 -2.697 2.446 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 13.481 17.822 -22.247 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 2.413 -0.443 -8.209 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 4.069 -1.572 -1.470 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 5.289 -2.565 -1.453 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 2.755 -1.098 0.232 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 8.645 -0.741 -2.407 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 4.644 -8.906 -19.940 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 -1.353 -11.586 10.296 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 4.168 -1.896 -6.784 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 4.896 0.901 -10.558 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 9.900 6.853 9.572 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 0.944 -0.918 -1.924 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 -6.316 2.352 4.030 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 5.817 -3.290 -6.818 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 9.332 -4.197 -9.015 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 15.165 -5.547 -18.513 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 13.460 -6.684 -1.319 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 4.415 4.777 -2.538 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 3.947 -0.119 1.597 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 10.226 6.896 -2.643 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 -3.203 1.348 -3.589 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 0.909 -0.033 -6.141 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 -10.501 13.968 -22.276 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 -2.634 4.157 4.535 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 -8.128 -2.169 19.548 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 -0.859 -0.127 12.823 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 -2.333 0.315 -0.769 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 -9.629 -3.309 -6.100 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 2.913 -8.180 4.417 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 0.463 4.212 -0.317 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 -10.846 9.908 0.015 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 0.606 8.977 17.993 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 -0.112 -6.066 2.294 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 -11.384 -20.504 -1.180 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 -24.088 -30.746 -1.971 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 5.128 -6.563 -5.098 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 -11.675 5.457 5.348 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 2.436 2.643 1.580 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 -8.652 -1.982 -2.382 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 -8.261 -7.000 7.708 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 -9.818 -2.821 -9.047 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 -6.119 1.716 5.510 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 21.036 11.150 14.317 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 7.870 0.417 8.736 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 -4.698 -4.266 -0.769 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 4.977 31.673 8.965 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 -7.534 6.952 6.016 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 0.725 -5.099 -5.771 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 9.042 -3.072 -9.476 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 28.815 -13.751 -10.894 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 -1.260 2.972 -2.075 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 -9.888 6.053 -5.551 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 28.775 12.705 -10.901 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 0.559 -0.862 -1.098 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 15.211 33.966 3.135 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 -4.699 -12.239 -1.246 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 -2.289 0.002 0.875 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 3.126 -13.387 7.986 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 -4.348 -6.752 1.533 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 2.793 2.364 -5.600 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 11.911 -4.296 -13.040 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 2.853 1.077 -12.375 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 -3.975 0.085 4.882 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 7.945 5.362 -3.561 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 -7.891 -4.254 4.609 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 -2.828 -1.878 0.001 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 -14.917 12.786 -0.271 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 0.472 -3.246 -10.655 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 9.587 -0.881 0.845 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 2.372 -4.713 -5.739 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 17.541 8.682 3.137 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 4.967 0.066 -1.039 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 -1.829 -7.200 1.911 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 -0.041 1.691 3.882 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 -6.695 3.294 -3.437 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 0.871 -3.540 -1.860 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 14.905 -6.228 38.773 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 -0.329 3.043 1.237 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 -3.687 10.949 8.135 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 10.123 -5.436 -11.334 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 -3.262 -5.038 0.187 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 -5.157 -7.763 -7.473 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 -6.461 -13.502 -8.749 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 0.635 -4.427 1.414 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 1.508 -9.600 4.360 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 5.908 -3.354 -4.473 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 3.271 -0.976 10.252 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 16.295 3.157 9.383 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 11.760 -2.162 0.043 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 -6.465 -7.003 -3.188 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 -12.742 -2.683 10.430 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 9.167 9.874 -1.846 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 2.310 -4.018 -3.670 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 -1.302 -19.497 -8.905 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 16.394 1.708 -10.451 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 4.142 1.116 -0.716 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 1.861 12.659 -13.572 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 -10.485 2.936 9.190 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 3.739 -6.055 6.277 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 -22.142 3.202 28.304 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 10.021 11.930 -13.857 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 -0.744 5.670 -2.808 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 -6.181 -12.049 1.574 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 15.626 -14.564 25.005 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 -1.385 -4.038 -0.740 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 -14.906 -6.789 -2.930 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 -0.812 4.869 9.941 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 -1.795 0.602 -0.479 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 -1.977 -6.185 -9.763 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 -13.689 12.604 3.223 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 -4.354 -11.377 0.333 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 -10.677 -22.667 -9.614 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 -6.924 0.088 13.986 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 -4.359 -1.399 5.125 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 -10.811 -1.401 10.963 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 0.901 -12.633 -5.716 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 -0.287 -2.819 -5.494 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 4.308 5.990 2.484 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 3.268 18.661 -15.425 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 -2.746 2.636 -10.170 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 -6.747 3.774 -11.720 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 1.359 6.506 -12.242 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 -6.455 -6.158 3.079 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 7.882 -11.020 11.155 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 -0.312 2.688 -11.195 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 0.308 4.755 -4.676 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 5.116 17.361 17.681 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 7.544 7.671 -4.092 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 7.876 -4.674 0.204 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 9.646 -3.878 -17.497 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 4.612 -11.643 3.723 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 6.329 -6.519 -3.840 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 12.885 -0.176 4.263 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 12.967 -7.706 6.511 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 -7.531 3.500 -1.927 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 -12.278 4.720 -10.277 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 -3.060 2.679 15.630 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 1.202 6.778 4.769 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 -10.197 6.079 13.921 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 4.767 11.268 23.267 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 6.400 5.562 -0.400 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 1.788 2.949 31.462 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 -2.525 11.712 -20.904 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 -6.280 0.458 -1.669 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 -7.108 -1.450 -5.146 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 -2.726 15.558 19.073 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 7.776 2.538 -4.184 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 -10.079 5.633 2.494 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 3.102 16.464 -8.331 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 -5.384 -2.952 -3.111 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 -20.603 -7.048 17.904 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 -1.018 3.098 -6.204 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 -0.110 0.907 4.600 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 -0.588 -9.913 9.122 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 -0.389 -20.750 11.781 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 6.606 1.572 -1.964 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 3.673 8.955 -6.116 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 7.651 3.143 3.461 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 -7.447 -0.960 -1.769 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 -21.990 -6.080 -12.913 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 7.121 -16.412 -13.081 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 -2.943 -0.494 3.191 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 31.338 -7.826 -7.603 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 -8.766 19.198 -3.751 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 2.161 1.621 0.913 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 -9.580 -4.863 -5.922 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 7.769 -3.696 12.633 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 -1.289 -5.222 0.898 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 -5.874 14.266 18.006 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 3.642 -4.534 14.266 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 -4.331 0.717 3.589 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 -11.825 8.412 -17.591 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 -2.076 -0.540 14.704 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 0.256 5.325 2.794 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 1.869 4.640 -0.224 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 3.825 1.417 2.797 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 0.469 -4.973 7.480 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 -8.930 6.760 17.323 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 14.677 -7.906 16.026 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 -7.366 4.080 -1.833 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 -14.957 -9.005 3.440 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 -2.734 0.188 0.433 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 0.691 -2.474 -7.554 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 -6.855 1.376 -5.929 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 3.893 4.596 5.020 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 -1.128 2.136 -0.631 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 0.939 0.146 0.457 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 0.892 0.815 0.036 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 -3.636 -0.336 -0.092 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 9.057 -12.469 7.144 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 -3.324 1.235 -5.449 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 -1.945 -0.925 5.311 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 -17.881 -4.640 11.606 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 2.276 27.081 9.523 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 4.063 -3.439 -3.189 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 3.557 -14.963 -2.822 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 17.221 -10.774 0.629 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 -6.669 3.988 0.414 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 -4.607 8.573 6.604 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 -9.033 4.708 10.264 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 2.395 0.925 5.993 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 5.668 -0.613 8.351 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 -2.914 0.182 1.657 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 -1.180 2.932 13.786 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 -8.850 18.217 3.591 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 -1.569 1.896 3.157 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 -4.460 7.350 -5.475 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 6.763 -2.923 2.897 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 7.358 16.581 6.387 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 -3.430 -1.628 3.950 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 -11.979 10.586 3.253 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 1.162 6.278 -11.275 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 -3.030 -11.956 -0.950 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 16.260 -15.087 -1.408 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 17.995 -23.114 -9.354 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 -2.110 4.863 -3.820 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 -7.426 0.268 1.852 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 6.841 11.706 7.760 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 7.335 -4.353 2.735 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 5.536 -14.648 6.548 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 0.512 -1.726 -12.810 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 -0.472 0.016 -1.191 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 0.287 -0.313 -0.518 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 0.708 -9.315 3.278 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 -2.206 -7.031 0.390 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 -4.240 2.988 -0.037 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 1.583 0.360 -5.967 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 8.511 0.332 -0.295 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 21.582 6.171 11.967 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 3.016 -7.145 9.436 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 -2.206 -0.723 -9.590 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 15.217 -12.414 -28.231 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 -14.695 10.415 17.275 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 -0.398 -0.620 3.046 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 2.713 -0.402 8.228 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 -10.088 -4.774 -18.109 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 2.829 -2.405 -0.870 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 -12.774 -12.976 -4.277 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 8.270 4.800 -18.226 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 2.969 2.893 2.626 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 4.732 4.580 6.314 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 3.405 1.090 2.289 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 -0.458 1.011 3.492 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 -1.817 1.185 4.479 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 12.671 -0.296 8.318 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 3.530 -2.987 2.831 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 -5.467 -14.178 7.165 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 13.055 10.476 -1.479 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 -0.858 0.861 3.889 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 -10.139 15.511 8.141 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 -9.448 14.110 8.578 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 -4.136 9.134 1.008 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 -3.118 14.231 0.150 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 -6.454 12.284 3.930 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 4.728 2.764 -1.370 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 17.145 26.762 -1.084 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 -19.503 3.501 -15.068 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 0.921 0.765 1.414 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 -2.879 20.827 12.735 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 -0.364 10.580 5.286 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 -2.396 -4.087 0.711 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 -14.973 0.143 3.108 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 -4.354 3.806 -8.708 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 -3.581 -7.006 1.421 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 -5.740 -12.404 13.481 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 -10.179 -0.580 1.535 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 -1.569 4.168 -4.000 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 23.003 -12.362 -25.058 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 -14.306 20.418 -26.749 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 -2.096 6.846 5.512 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 15.491 -1.214 -0.751 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 -11.531 15.640 7.197 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 -1.817 6.647 2.164 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 5.955 3.839 2.740 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 -6.092 2.084 -3.591 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 -2.091 -3.769 0.811 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 -8.837 -12.231 3.821 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 -5.252 -2.777 5.661 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 0.292 -1.514 -2.536 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 -5.770 11.365 11.162 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 12.960 -1.685 18.614 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 -1.955 7.758 4.115 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 10.099 -7.228 2.975 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 15.201 -5.187 0.097 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 3.699 1.530 -0.151 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 8.311 -17.063 8.222 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 1.559 0.155 9.773 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 -4.759 0.346 -1.622 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 -10.695 -5.207 -0.575 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 -1.770 4.958 4.860 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 2.571 4.584 -1.741 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 4.521 20.778 -13.592 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 18.787 -5.227 1.215 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 -0.509 4.816 -2.149 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 -2.835 4.281 10.822 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 -0.441 12.739 -1.946 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 -0.785 1.711 -1.423 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 2.770 10.305 -7.073 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 7.011 14.379 -10.932 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 4.059 -2.215 3.394 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 0.253 -10.850 12.310 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 -2.090 -20.396 -9.140 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 -2.248 -2.174 -0.730 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 -8.086 -9.257 -13.009 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 11.364 -5.410 7.657 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 -2.658 -0.014 1.184 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 7.589 10.441 -10.777 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 -2.818 2.769 4.818 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 -2.074 -3.549 -0.872 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 -20.973 9.834 10.027 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 -12.926 -10.427 1.149 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 -1.918 0.282 -0.506 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 -10.312 -3.341 -8.791 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 3.100 3.810 -9.266 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 9.469 -2.484 -4.652 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 7.741 -11.178 -5.008 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 15.636 -13.769 -9.650 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 -2.701 -0.643 2.914 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 0.301 3.532 9.336 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 -6.328 5.551 -0.856 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 -1.363 3.155 -2.090 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 -1.689 22.361 4.401 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 10.323 -8.031 7.728 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 -3.113 3.471 3.655 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 -1.841 27.066 -6.703 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 -4.017 -12.521 9.433 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 1.168 0.263 0.937 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 4.326 19.483 -5.289 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 8.712 5.266 20.367 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 1.154 -2.294 11.757 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 3.263 11.286 -0.857 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 18.506 -12.460 2.772 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 2.703 -4.085 -2.209 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 9.557 11.038 -23.559 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 23.197 20.449 -5.696 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 6.469 0.732 6.102 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 4.216 11.974 -20.468 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 1.181 -13.786 6.520 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 2.803 2.708 -5.066 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 -21.971 5.179 -15.422 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 3.445 20.693 15.259 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 -0.197 -2.948 1.876 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 10.859 -32.433 -8.631 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 12.539 -5.331 -0.914 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 -1.279 11.206 -0.941 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 9.947 10.300 -29.345 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 -9.072 13.236 17.373 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 2.447 3.823 -4.067 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 -8.121 24.459 14.852 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 -6.760 20.139 14.229 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 5.091 -0.953 -7.837 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 -4.243 10.956 12.788 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 8.003 2.317 -6.295 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 2.394 3.992 -3.268 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 3.722 6.688 -6.045 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 2.189 -0.178 -0.793 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 -7.630 4.610 3.061 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 -3.688 14.595 -0.377 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 -0.375 7.841 5.903 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 -2.593 10.096 2.822 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 -24.484 14.054 8.632 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 -13.623 11.494 3.997 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 5.509 -5.463 0.218 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 0.547 14.223 -4.763 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 6.987 -8.642 -20.620 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 9.894 -3.845 -3.397 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 12.090 -4.061 -6.518 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 3.078 -1.264 8.802 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 -5.569 -6.913 0.288 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 -13.072 -0.493 2.239 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 -8.366 -12.505 -8.733 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 -6.661 -4.445 2.223 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 -13.700 -9.751 8.519 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 -2.002 9.332 -5.078 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 1.688 3.369 2.199 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 2.053 10.213 -1.791 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 -5.077 5.512 1.354 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 0.278 -1.689 -3.814 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 3.926 5.469 -8.151 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 -0.940 0.698 -2.313 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 -0.467 5.091 1.395 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 0.843 5.114 0.191 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 15.279 5.102 -5.876 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 0.537 -1.958 1.080 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 17.809 11.144 3.302 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 9.972 2.867 -5.992 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 -3.329 -3.943 -0.155 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 -2.163 11.423 -3.808 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 -1.798 0.988 5.186 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 2.289 -1.615 -2.164 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 -14.539 -0.997 7.763 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 -9.141 -1.272 16.634 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 -8.522 -2.624 -0.207 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 -1.634 7.656 5.868 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 -3.855 -9.326 -14.151 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 3.198 4.124 2.899 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 -18.141 4.624 1.854 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 22.686 -1.507 9.688 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 0.159 0.705 0.840 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 -9.469 11.667 -35.933 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 -2.280 -1.028 7.718 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 3.899 1.630 2.752 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 9.251 -8.442 -6.566 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 -8.657 6.322 -3.332 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 2.250 -6.540 1.333 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 21.033 -7.062 -16.373 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 8.651 -5.319 -8.416 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 0.566 1.732 1.289 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 5.911 -13.467 -4.164 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 -5.011 12.651 -13.706 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 -2.547 2.186 -4.900 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 17.097 0.937 6.296 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 8.170 21.419 -0.716 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 -5.702 0.965 3.625 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 13.837 -0.299 3.767 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 -11.780 4.993 13.103 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 -3.655 1.202 -1.541 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 3.639 5.292 5.199 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 -2.564 2.428 8.867 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 3.399 -1.256 -2.829 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 4.823 -0.602 -2.220 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 4.308 -12.106 -4.934 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 0.808 3.246 -4.613 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 -6.283 -6.240 13.015 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 20.359 -22.155 -12.039 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 -0.341 3.336 1.065 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 -13.475 16.421 -8.055 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 2.386 4.634 9.654 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 1.618 -6.759 4.073 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 -3.260 12.970 -13.630 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 9.828 -13.885 -8.204 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 4.156 2.685 -3.395 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 -5.203 10.112 -5.137 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 5.356 1.539 15.424 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 9.280 3.746 -0.158 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 10.780 34.613 25.708 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 8.140 -30.162 -4.025 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 4.245 7.002 1.022 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 2.437 17.933 -3.742 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 2.299 -26.860 1.860 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 -3.346 -4.413 -2.245 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 -5.144 8.369 -11.042 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 -1.319 -19.218 7.376 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 3.608 -0.160 -2.297 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 -11.161 -20.766 9.494 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 13.445 4.970 -7.167 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 6.012 1.071 8.695 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 13.906 7.056 9.254 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 -0.143 -6.401 12.611 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 1.028 -5.223 -3.401 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 12.708 -7.983 -13.527 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 -7.350 14.829 1.861 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 -0.902 -6.894 0.095 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 -20.167 -14.568 2.988 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 2.923 -4.978 -2.116 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 -4.463 0.250 6.807 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 -5.444 -0.941 9.871 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 4.600 2.840 6.487 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 -1.780 -1.513 2.845 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 -11.613 10.718 11.856 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 -15.155 -13.709 -7.386 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 -1.211 0.183 0.908 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 -24.404 3.474 17.871 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 8.924 20.501 -2.809 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 1.241 2.570 -0.557 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 -6.770 32.537 -3.228 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 -8.405 -28.816 -12.927 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 -2.366 -1.792 -5.761 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 -9.398 12.075 3.729 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 -3.384 7.027 8.242 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 -4.058 1.643 3.281 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 -9.955 1.668 9.046 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 8.795 -1.150 -5.263 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 7.699 0.503 -5.565 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 -23.039 2.418 -29.151 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 -16.899 -3.242 -2.870 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 -0.009 3.531 9.360 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 -9.753 -2.037 22.150 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 31.505 14.796 -23.489 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 -1.692 -1.024 6.627 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 -8.163 -10.941 -4.077 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 14.933 -13.275 17.314 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 8.070 3.934 -0.766 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 10.345 18.278 11.616 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 -1.284 5.557 -12.010 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 -2.134 -1.617 -3.362 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 -16.066 -7.229 2.734 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 6.453 12.115 -13.923 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 5.582 -0.082 -0.337 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 -1.611 -13.942 -12.425 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 10.181 16.072 -12.052 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 -0.214 -3.868 -4.012 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 -4.897 3.029 0.866 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 -9.173 -25.644 -18.505 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 4.376 -2.809 -7.692 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 8.376 1.777 -10.581 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 -0.655 -7.162 -4.663 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 -2.900 3.420 7.933 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 -7.029 -0.642 14.084 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 -4.602 0.925 12.006 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 3.308 5.564 2.950 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 13.944 15.212 -8.807 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 6.928 2.450 1.321 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 -1.744 1.364 -2.824 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 6.323 11.236 11.385 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 -12.655 13.126 -12.979 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 -0.398 -1.220 2.484 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 -8.899 12.830 4.132 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 18.326 -20.236 -4.846 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 1.370 -8.898 6.571 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 -5.360 -19.408 -16.892 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 9.941 15.470 0.543 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 -5.004 1.278 -2.616 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 -3.742 1.393 -2.874 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 8.023 5.979 -6.447 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 -0.801 2.484 3.636 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 1.354 16.603 -2.903 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 28.098 -11.384 21.325 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 4.004 5.587 -1.387 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 22.512 -18.999 13.469 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 -0.853 14.689 -3.799 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 -6.579 -2.459 -3.354 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 9.272 16.202 -22.923 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 10.094 -1.007 21.358 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 0.339 5.482 -3.846 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 -4.393 2.235 -3.470 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 -3.215 2.391 -17.671 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 1.632 -2.605 -1.771 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 7.099 -7.221 9.657 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 12.247 -5.820 -2.674 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 -3.046 -0.011 -0.756 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 -17.057 -8.940 -15.851 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 0.292 -5.304 0.671 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 -0.864 1.643 0.174 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 6.440 -10.967 0.453 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 -10.749 16.044 -7.068 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 -5.244 2.981 1.770 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 -6.326 36.643 9.406 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 2.828 -6.559 31.225 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 7.151 1.908 2.158 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 13.419 11.666 13.808 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 -6.759 9.094 -2.117 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 0.060 -6.417 3.183 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 18.215 -4.686 -10.713 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 -16.770 -8.445 -7.321 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 3.998 3.809 4.012 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 5.969 -15.324 4.936 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 13.663 16.932 -12.785 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 3.390 5.630 -0.429 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 -8.070 19.882 -6.895 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 9.753 -7.700 9.088 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 -9.599 -1.271 2.090 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 -14.299 3.720 8.462 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 -10.444 -16.416 3.110 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 -4.169 -4.848 1.652 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 2.627 -7.341 13.719 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 -11.997 -5.927 -6.204 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 -2.792 0.274 0.967 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 -7.358 21.596 9.388 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 -1.444 -8.709 -4.837 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 0.257 -0.597 -3.574 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 -9.466 5.957 -0.036 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 -10.435 -19.151 -18.203 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 1.895 -1.279 1.337 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 -25.671 -0.186 16.489 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 -26.871 -4.555 16.146 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 -3.445 3.873 0.871 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 -2.612 13.238 19.214 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 -32.120 -5.512 -21.742 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 -2.411 -0.796 0.443 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 -18.637 -23.027 -5.757 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 2.823 18.434 3.309 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 4.934 -4.019 0.154 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 15.695 -26.822 -21.656 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 9.783 8.130 1.670 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 -2.759 8.343 6.301 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 7.620 -2.117 8.163 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 0.534 23.102 15.017 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 1.149 -0.418 0.035 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 -1.328 3.793 -7.236 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 15.710 -7.381 9.834 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 0.006 -3.500 -0.609 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 1.949 -10.733 -5.573 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 -0.626 -2.277 0.198 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 -4.841 2.481 -5.741 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 -2.911 2.836 -4.433 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 3.629 2.575 -0.630 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 3.685 -1.684 1.608 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 -4.869 7.866 5.073 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 6.193 -11.742 4.762 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 0.479 -2.823 -6.325 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 1.011 0.009 9.413 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 11.992 4.710 1.004 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 -2.666 0.130 -2.374 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 16.911 1.326 -29.563 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 -16.532 2.621 10.610 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 -2.656 -0.983 3.102 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 9.444 8.125 14.797 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 16.426 17.137 17.654 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 1.226 5.346 0.179 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 -0.577 14.268 -9.288 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 -0.460 2.920 17.635 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 2.231 2.625 1.754 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 -2.757 -2.716 6.064 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 0.676 -7.706 9.616 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 -5.660 3.131 -3.019 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 -28.954 -6.626 -8.375 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 13.437 6.754 -25.436 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 -12.149 4.477 0.457 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 -11.399 11.952 11.578 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 -4.840 6.191 7.932 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 -3.960 0.571 -6.150 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 9.549 -2.356 2.881 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 -25.287 -20.932 -8.816 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -1.956 -4.301 9.641 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 16.720 -5.765 4.464 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 4.902 -4.840 4.121 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 1.193 5.562 -1.022 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 -3.164 6.137 -0.408 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 6.449 6.070 2.580 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 3.133 -4.646 3.474 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 -7.762 4.264 -0.005 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 22.318 -13.854 13.883 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 6.211 -2.379 -3.373 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 -6.989 23.508 7.512 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 12.795 -16.963 -10.568 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 -4.655 4.344 -2.525 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 -7.902 -0.780 0.356 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 -8.735 -20.500 4.475 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 6.542 5.183 1.672 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 10.362 3.333 -0.182 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 3.078 1.533 10.090 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 4.007 -0.376 -7.557 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 9.560 1.833 -1.955 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 -0.934 0.552 -11.572 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 1.610 2.707 -5.380 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 13.460 -19.837 1.077 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 -2.311 14.386 -9.064 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 -2.761 -3.961 -1.884 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 2.771 -4.810 3.394 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 14.692 -7.556 -0.399 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 -0.481 3.422 -3.830 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 -3.063 3.967 7.778 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 -1.768 2.963 4.964 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 0.761 0.414 -6.124 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 -6.644 1.812 -19.331 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 4.211 15.683 -2.074 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 -5.238 2.934 1.910 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 -7.248 13.796 7.377 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 -9.426 16.435 6.479 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 0.471 6.829 -3.662 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 -3.127 4.178 2.314 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 6.867 10.390 -18.955 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 3.191 -4.119 4.499 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 13.701 5.270 -1.034 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 10.752 -4.318 -7.167 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 -0.240 -8.870 5.314 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 6.395 -2.896 2.010 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 -6.289 -10.741 7.617 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 0.080 -0.053 -2.937 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 -2.503 15.050 21.468 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 10.988 15.236 -25.677 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 3.464 -0.292 3.368 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 14.762 15.415 4.526 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 3.764 -10.174 14.634 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 1.392 4.927 5.212 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 -5.647 0.011 9.516 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 -19.046 -3.126 4.153 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 3.957 -2.107 1.973 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 -3.159 -0.009 2.787 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 19.844 -2.367 12.777 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 -0.489 -0.984 -2.113 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 1.622 3.422 -6.625 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 -1.736 -3.925 1.137 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 -3.398 -1.632 0.234 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 -9.722 12.845 -18.928 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 3.476 -20.944 -13.802 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 -3.561 -4.428 -4.227 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 16.097 9.149 4.763 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 9.523 2.847 0.037 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 2.632 1.895 0.576 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 3.546 -0.927 -1.213 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 37.809 12.465 -6.193 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 -5.823 1.191 4.345 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 -2.722 3.178 30.186 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 -33.956 -3.003 1.527 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 -6.606 -0.305 -0.352 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 -2.080 -17.772 -1.548 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 7.665 7.148 8.295 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 -2.776 -0.637 3.679 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 -0.607 -3.936 5.872 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 9.447 8.433 -6.044 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 -0.932 5.851 7.578 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 -3.220 0.735 2.755 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 3.979 4.623 13.680 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 -2.916 4.420 -3.756 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 0.882 18.496 -19.710 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 -3.253 14.987 -19.198 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 -5.188 4.797 7.913 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 -3.802 11.981 -0.228 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 3.488 -4.029 0.174 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 0.622 0.958 0.199 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 -16.462 -11.400 5.820 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 8.874 3.171 3.774 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 -1.170 1.618 1.393 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 23.958 2.791 -15.784 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 -20.195 11.520 -10.741 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 -2.509 0.163 -0.548 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 -24.122 3.943 -13.472 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 14.661 -16.948 -5.260 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 0.379 -0.901 -1.441 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 4.594 4.653 -0.497 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 -4.988 7.366 4.840 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 2.030 1.903 6.312 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 -6.553 -12.919 -14.042 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 12.565 22.401 30.032 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 -3.836 0.585 4.149 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 -35.364 12.924 1.281 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 -2.978 -9.823 21.394 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 1.195 -7.316 -0.628 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 -23.822 -11.973 4.092 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 16.012 13.740 1.934 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 2.087 -3.567 -3.575 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 -2.868 -3.333 4.870 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 7.212 6.796 2.933 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 -0.402 -5.722 -1.363 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 4.923 -15.333 0.211 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 -16.278 23.795 -4.008 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 4.381 0.825 1.455 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 4.059 1.203 1.752 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 14.668 10.401 -9.861 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 -3.047 -0.903 1.897 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 -3.082 -36.762 -22.362 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 4.356 -20.862 -16.679 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 -5.244 4.307 -4.343 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 -5.544 3.099 -11.071 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 -5.986 4.196 -2.109 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 -4.741 6.498 2.860 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 -14.868 0.198 3.888 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 -1.018 -3.325 20.820 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 3.546 1.679 3.364 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 18.811 -12.349 3.745 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 5.912 4.694 -5.021 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 0.199 2.783 1.854 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 11.400 4.613 -1.041 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 -10.001 18.728 -6.142 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 -3.837 -3.448 -6.981 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 8.108 -11.049 -7.085 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 -3.086 1.569 0.174 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 0.129 6.387 -4.460 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 -4.810 1.314 -14.440 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 -1.016 -23.271 22.304 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 -0.565 -4.205 -4.536 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 2.136 -10.467 -2.086 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 -4.292 -2.452 -0.836 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 1.374 -3.328 -3.030 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 -6.385 -5.508 1.564 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 6.472 -0.641 -4.913 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 -3.045 -3.877 -5.267 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 8.430 1.671 -15.866 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 -15.608 8.383 -7.736 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 -3.972 3.071 2.930 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 -20.473 -4.838 -19.661 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 5.641 3.391 9.120 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 -0.655 -4.221 5.377 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 -6.242 -4.628 0.200 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 30.504 16.451 34.079 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 0.372 -0.036 0.105 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 -6.985 -2.668 -1.649 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 -1.327 4.829 6.420 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 -2.240 1.886 -4.900 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 -1.592 4.763 -11.857 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 -4.945 -6.762 14.944 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 3.592 4.567 2.728 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 -22.673 3.046 19.746 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 -0.053 -12.381 2.830 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 -1.078 0.955 -3.581 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 -7.002 0.750 -7.030 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 -11.644 1.220 -10.376 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 4.489 4.006 -3.344 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 -5.711 -0.068 -3.236 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 23.315 5.190 -5.298 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 0.339 -0.939 0.774 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 -0.166 -0.386 1.564 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 -8.530 12.952 6.883 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 2.030 -3.146 0.559 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 4.547 5.082 6.671 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 -13.625 0.999 -4.443 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 2.043 -2.302 -0.740 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 20.931 -21.933 -16.944 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 -33.508 -4.067 27.242 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 0.417 8.033 -0.909 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 -9.488 14.831 -4.800 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 2.264 6.196 5.890 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 2.965 1.549 4.943 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 9.027 -14.125 0.260 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 4.229 14.025 24.784 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 0.856 7.367 1.753 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 4.259 -13.292 2.001 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 -0.666 14.127 1.288 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 1.425 -2.946 -3.054 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 -19.068 13.471 14.918 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 4.441 -2.866 -8.254 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 -5.960 1.612 -3.425 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 10.039 4.450 26.135 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 -27.073 27.711 3.523 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 -2.926 -2.169 -0.035 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 3.855 4.285 1.287 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 -15.954 9.593 -1.870 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 -9.094 -1.402 2.531 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 -11.687 15.819 -7.716 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 6.859 -29.777 -8.395 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 -4.080 2.260 3.930 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 -1.629 -5.818 -7.262 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 2.653 1.758 -1.950 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 3.745 -6.817 6.347 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 -17.628 -5.230 15.370 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 -2.644 -5.552 16.701 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 2.504 -4.856 6.575 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 -18.535 5.283 1.376 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 14.461 -10.914 10.426 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 1.520 4.268 -3.683 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 -4.391 0.442 -0.931 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 9.129 -0.353 4.186 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 4.316 -9.164 -0.180 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 -9.955 -14.836 -13.571 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 0.352 -20.061 16.074 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 -0.269 -2.500 -0.134 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 -0.358 -2.183 1.161 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 -4.514 5.080 13.718 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 -6.595 -1.592 -0.773 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 3.624 4.202 9.776 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 -2.995 -2.275 4.197 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 -0.357 -3.591 1.721 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 13.184 8.737 1.585 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 8.201 -23.790 -0.062 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 1.565 -0.296 3.082 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 -1.893 20.483 28.513 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 5.314 -3.299 -36.231 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 -0.180 1.446 -0.778 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 -8.579 -34.950 -12.551 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 6.498 8.212 13.979 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 -5.726 3.829 -1.758 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 5.103 -11.532 20.089 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 -16.406 -8.023 22.330 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 6.793 -2.816 -0.591 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 5.449 -6.810 9.170 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 10.319 2.243 1.136 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 -2.722 -2.172 3.810 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 11.506 3.857 8.389 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 -3.011 -0.127 -11.674 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 7.664 2.041 3.484 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 0.164 -8.787 5.630 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 7.115 -1.632 15.966 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 -5.181 1.871 0.828 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 6.391 3.380 -1.296 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 -13.999 15.827 -7.854 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 -0.877 3.794 0.069 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 -3.567 4.121 -13.097 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 0.122 19.539 6.726 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 -5.590 -3.044 5.533 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 9.513 17.287 3.746 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 -1.296 13.365 -3.700 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 -0.383 3.746 7.116 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 -15.238 -20.395 -1.871 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 -3.480 -1.817 5.074 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 2.492 -0.325 10.480 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 6.209 -4.628 3.825 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 -21.665 -4.106 12.864 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 1.114 -1.509 -5.124 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 7.353 5.951 -30.359 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 -3.306 6.533 2.485 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 5.453 1.889 0.771 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 14.319 15.997 3.252 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 1.323 -1.707 -1.345 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 1.980 -1.335 -6.801 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 26.104 -7.104 1.019 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 -20.522 8.873 9.167 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 3.023 3.223 -1.354 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 9.660 13.721 -9.110 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 -7.033 3.411 -8.351 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 -0.301 -3.585 2.488 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 -9.916 -17.692 9.015 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 -0.006 -2.172 3.100 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 -2.432 -1.286 -2.184 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 -6.780 3.164 -8.587 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 2.256 -4.596 3.568 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 5.456 0.289 -1.549 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 1.531 -14.804 -17.800 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 6.380 4.839 -4.782 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 -4.882 6.168 0.626 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 -7.281 -15.978 -17.448 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 -11.137 26.351 18.684 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 -0.393 2.657 -1.104 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 -11.167 12.442 8.738 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 9.287 -3.813 -9.955 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 -2.893 6.128 3.296 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 -1.060 -5.127 3.899 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 -4.912 -2.299 16.287 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 3.750 3.759 -1.405 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 26.260 4.126 27.112 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 -19.983 -17.913 25.420 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 -2.543 1.736 1.516 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 -0.019 0.279 -1.282 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 -0.463 5.449 4.989 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 0.865 -3.529 5.052 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 13.472 -8.604 10.031 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 -18.697 13.246 -9.035 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 5.073 -0.821 0.308 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 -12.302 6.434 -6.694 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 -2.469 4.295 20.832 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 -1.596 2.869 -5.026 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 -17.256 16.166 3.540 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 -9.178 -7.885 -18.523 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 -1.944 2.799 4.264 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 -10.145 6.993 5.994 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 -0.139 -2.120 -4.427 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 2.201 0.136 -2.570 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 -7.397 -7.344 -2.690 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 6.148 1.894 -12.847 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 4.404 0.254 -1.077 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 -13.280 -1.917 11.862 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 -6.118 -33.543 -10.863 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 -0.591 -1.790 1.083 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 -0.872 -0.485 2.951 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 8.161 -11.659 8.019 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 6.023 3.075 3.789 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 -6.147 -8.396 8.572 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 21.896 -10.220 -17.329 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 5.832 0.697 -4.463 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 -10.617 24.932 0.390 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 8.835 -10.598 5.566 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 0.954 -1.972 2.884 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 -2.417 -10.552 6.774 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 -15.423 15.683 -10.058 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 -3.856 -1.703 0.715 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 3.715 -5.368 -7.037 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 2.945 1.391 11.788 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 4.402 6.808 0.368 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 12.810 9.532 6.877 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 4.484 -5.336 1.663 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 4.093 1.954 -4.022 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 -10.296 3.612 9.253 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 13.652 14.170 -5.618 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 -2.396 6.046 -7.216 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 -23.216 -1.069 18.876 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 17.609 8.552 11.974 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 -7.756 5.235 -6.130 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 -5.749 -8.395 0.416 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 -24.788 11.709 -1.061 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 4.848 0.848 -4.290 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 7.823 -3.669 -4.532 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 -0.138 9.703 -7.905 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 -7.245 -2.702 -3.683 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 -15.773 3.704 6.455 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 -12.163 7.879 6.623 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 1.480 0.493 -1.947 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 1.062 -5.221 -15.412 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 5.011 6.097 8.126 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 -1.667 -7.895 -2.884 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 -1.949 -2.228 0.185 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 -1.433 -5.855 12.580 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 -2.746 -1.756 -0.092 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 2.443 14.751 19.348 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 5.592 14.199 -20.677 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 0.835 -2.109 2.576 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 8.771 4.140 -3.490 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 -3.837 -1.913 -10.313 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 -2.890 -0.567 1.317 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 -27.393 -11.541 -6.980 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 -2.123 -0.978 30.117 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 -0.652 -0.807 4.115 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 -1.638 9.922 -6.853 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 2.282 -3.084 5.563 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 3.241 5.543 1.233 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 -1.680 4.945 1.898 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 30.324 1.421 7.750 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 -0.749 -1.750 -5.533 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 12.662 2.177 -11.442 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 9.460 -1.495 -8.949 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 -1.913 -0.619 1.393 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 -30.814 -3.623 17.585 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 27.135 0.432 15.698 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 2.413 3.309 0.205 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 -14.276 1.595 -6.915 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 -13.960 -10.851 2.020 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 -7.347 -1.903 -1.244 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 -5.255 -9.903 9.640 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -10.656 17.706 -7.287 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 -5.144 -3.746 4.353 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 -14.892 -2.720 -6.901 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 -8.375 -4.284 8.599 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 -6.719 3.491 1.890 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 -24.713 5.571 -7.020 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 2.971 30.491 9.625 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 -0.057 1.062 0.323 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 9.590 5.736 6.890 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 -1.869 10.526 4.988 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 3.032 2.599 3.986 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 12.926 14.334 -8.384 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 9.646 2.868 -2.103 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 6.671 3.627 -2.786 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 2.907 -2.066 9.234 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 -9.114 -5.326 13.002 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 -3.007 2.393 -11.026 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 10.150 21.719 -33.359 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 20.416 -9.888 0.205 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 9.426 1.084 2.477 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 -3.150 4.466 21.132 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 -7.196 -1.701 3.529 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 -6.520 -1.097 5.824 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 0.141 -1.687 -22.158 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 -8.759 -1.096 18.197 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 1.192 3.800 2.388 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 -7.792 10.152 2.164 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 -6.619 6.307 8.277 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 0.897 -4.598 1.090 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 10.821 0.668 15.252 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 -11.445 -17.550 2.747 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 -5.737 -1.402 1.614 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 -7.795 9.318 2.658 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 0.879 7.462 3.228 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 -2.569 4.067 -1.410 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 12.026 -25.436 3.331 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 16.339 -0.157 -3.282 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 -2.978 -0.186 -1.087 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 -2.079 8.248 -5.995 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 -14.234 -13.255 -2.701 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 3.491 -4.884 -6.615 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 -20.063 13.953 -9.464 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 19.623 20.461 -19.215 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 0.510 -3.542 5.511 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 -1.269 10.532 -8.361 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 -11.545 17.190 1.155 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 2.429 -1.873 -4.838 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 -3.949 -1.110 -15.360 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 -9.716 9.455 6.590 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 -5.523 -3.451 -3.716 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 -10.281 -0.996 -2.495 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 6.219 -5.727 -11.209 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 -1.692 -7.616 1.752 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 -9.926 -5.074 9.689 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 -8.389 -5.592 -1.451 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 -8.049 -6.324 -2.393 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 -7.812 -21.539 -6.122 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 17.635 6.970 0.563 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 -3.406 3.749 1.336 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 -12.729 -11.108 6.869 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 8.295 -4.220 -7.940 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 1.723 -0.060 3.905 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 -4.594 -2.876 -6.031 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 -0.466 5.887 9.665 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 1.063 -2.288 -5.490 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 -1.251 -3.482 -1.205 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 8.681 0.929 -31.497 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 -0.992 9.565 5.475 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 -0.792 13.795 6.581 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 -1.562 -18.954 -24.795 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 -2.577 10.270 -2.029 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 0.542 20.285 -0.038 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 -0.178 12.733 2.607 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 6.880 4.168 -2.079 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 10.849 -0.830 -9.024 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 24.120 -6.839 -13.698 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 0.313 0.220 -0.762 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 18.034 -10.959 23.775 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 -13.898 -0.986 -19.503 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 3.217 -2.998 -2.106 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 10.376 -3.844 -24.859 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 -9.754 40.122 -0.260 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 0.504 -2.316 4.727 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 -12.032 3.986 8.823 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 -13.982 14.071 -0.269 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 -0.327 3.348 0.479 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 7.451 29.714 -2.739 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 23.093 -7.829 -30.399 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 0.684 1.094 4.335 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 12.457 -11.388 16.501 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 -12.715 -4.126 3.420 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 -0.395 -4.629 8.042 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 15.746 0.010 -5.078 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 5.580 5.318 -24.738 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 -1.229 8.475 2.318 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 13.484 -7.045 0.736 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 2.836 -10.833 -4.104 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 6.031 -1.329 2.477 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 -0.027 -5.181 2.318 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 4.620 0.292 9.048 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 6.293 -3.263 -5.388 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 2.112 -3.328 -12.734 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 11.966 -13.070 24.947 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 -5.642 -0.714 8.439 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 -15.135 9.718 12.606 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 11.226 -7.448 22.883 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 0.313 -0.122 -0.981 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 7.174 -15.496 -20.314 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 1.406 -2.859 -4.025 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 4.476 -0.179 3.324 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 1.811 -1.631 5.785 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 4.005 -1.472 0.768 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 1.596 7.000 -3.840 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 4.029 -17.810 -8.920 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 -11.942 6.013 13.206 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 1.839 -0.869 5.870 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 -2.983 -3.448 5.007 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 6.337 2.158 7.728 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 -5.252 2.025 0.836 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 -5.226 -12.141 -4.782 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 -8.955 2.047 10.529 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 -0.486 0.205 -8.811 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 7.838 9.933 -12.019 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 14.941 -3.476 -8.105 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 -3.337 -5.170 3.242 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 5.040 -13.996 5.870 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 -8.182 2.647 0.130 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 3.615 1.193 -0.117 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 4.911 -13.865 -4.723 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 8.993 -3.660 -1.542 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 2.285 -1.204 0.318 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 23.921 22.654 -22.501 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 3.727 5.904 -4.526 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 -0.623 -3.382 -1.904 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 -11.392 2.805 12.110 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 -18.823 -10.167 4.622 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 1.770 -0.552 -1.876 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 -2.364 4.651 -1.880 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 -0.524 -3.376 -2.044 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 -2.073 -6.637 1.728 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 -4.114 -6.722 1.263 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 0.221 -2.296 -1.872 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 1.869 -0.716 -1.830 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 17.424 10.714 12.102 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 13.287 -6.002 -28.116 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 4.171 -0.765 -0.167 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 7.262 -11.198 6.736 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 1.937 24.839 -10.828 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 -5.381 0.724 -2.845 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 -13.037 6.609 -12.874 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 1.139 4.533 2.013 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 -3.748 3.571 2.369 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 -11.913 -3.098 7.188 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 -8.405 -13.251 17.588 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 7.099 2.902 -1.857 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 -22.694 17.105 -27.267 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 -13.580 12.881 3.058 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 -0.490 1.254 -0.532 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 -7.551 -27.524 2.220 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 -9.947 -22.038 0.007 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 -0.782 -2.963 0.682 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 1.901 14.769 -2.267 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 -2.960 2.851 -7.067 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 -8.635 0.055 -2.364 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 7.479 9.521 16.707 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 33.755 25.911 -22.216 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 -4.081 6.654 -9.549 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 2.154 11.415 -19.097 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 -12.722 3.322 2.556 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 -4.396 -5.360 -4.961 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 -10.411 5.284 0.259 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 -5.309 -5.847 4.156 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 -0.724 1.253 4.749 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 2.460 -2.194 2.085 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 9.148 4.072 -4.266 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 -2.411 2.991 3.826 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 -13.598 -9.264 17.272 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 -7.284 -10.769 -15.993 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 10.181 -1.295 -2.235 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 5.535 5.224 -9.526 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 5.757 -17.160 16.294 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 -1.505 -1.957 -4.366 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 0.976 9.837 -15.448 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 12.340 -4.869 4.652 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 -0.971 -0.297 3.708 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 -3.196 -21.168 10.520 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 17.881 9.285 -3.057 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 -0.779 2.430 -4.139 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 15.764 5.751 -9.107 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 -4.951 5.114 -16.944 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 6.835 -1.911 3.778 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 -0.340 13.605 0.561 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 21.702 -22.646 31.280 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 -0.454 -1.463 -4.619 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 3.533 1.272 -6.803 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 0.954 1.062 -1.166 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 5.638 2.769 0.684 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 24.034 -1.544 4.609 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 -0.744 -1.954 19.275 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 -8.558 1.683 -4.277 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 17.072 0.955 9.704 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 -27.640 -6.059 16.664 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 -5.032 -0.768 2.141 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 -5.684 -1.157 3.045 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 7.594 20.053 13.947 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 -4.932 -0.189 -2.607 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 -13.380 5.613 -6.795 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 -1.377 -10.518 -11.889 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 -0.828 6.464 -0.369 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 -12.830 -7.874 12.625 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 -6.673 20.792 -7.312 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 -3.932 -2.440 2.941 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 8.376 9.595 2.891 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 -9.171 -10.013 17.033 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 -1.280 -2.839 -1.190 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 -15.913 17.851 -27.941 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 -13.367 -5.521 25.297 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 -1.568 0.992 -2.275 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 -22.740 30.739 -4.091 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 -0.776 8.958 -12.684 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 -1.975 0.825 -3.794 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 -5.450 3.062 4.889 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 -4.251 11.315 -9.088 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 -1.718 3.901 -0.569 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 0.596 0.249 4.278 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 16.715 -9.564 -2.729 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 -1.016 2.189 -6.308 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 -1.362 0.795 -14.179 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 -5.009 -7.289 -16.518 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 -1.311 -6.755 -4.258 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 15.070 -13.384 -5.252 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 -9.559 -12.283 -0.982 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 8.135 -3.153 -0.021 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 -2.518 -16.766 0.405 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 1.940 -2.716 -17.262 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 5.097 -3.869 -2.585 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 11.589 -9.479 -16.739 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 12.548 -6.177 -5.931 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 8.474 0.018 5.727 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 12.913 -0.847 -14.898 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 5.710 14.715 0.261 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 -2.064 -4.161 -5.663 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 14.303 0.237 3.613 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 15.854 -1.509 -10.327 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 -2.610 -2.022 3.001 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 -15.062 5.608 18.609 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 -7.072 -4.594 4.600 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 3.793 -7.799 -2.103 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 -1.277 -12.469 -5.590 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 -1.886 -4.650 2.108 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 5.012 -3.517 -5.594 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 7.300 2.114 -16.362 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 -3.478 -12.008 -9.289 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 -2.525 0.476 2.772 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 4.384 3.112 -6.032 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 -15.154 8.563 2.982 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 2.870 5.425 -3.627 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 29.059 -4.756 -11.191 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 0.500 -6.210 -0.927 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 0.456 -1.072 2.958 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 -14.712 0.126 3.567 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 -10.764 5.393 3.920 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 2.637 -0.613 0.736 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 18.760 -1.954 0.595 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 15.545 -6.539 5.224 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 -5.876 -2.219 -0.856 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 -4.603 4.972 -1.328 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 -7.120 -8.364 -11.075 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 -2.947 1.893 -5.844 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 -6.532 -14.148 -4.416 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 -0.362 1.805 -14.656 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 5.231 -0.138 1.505 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 13.252 -12.421 4.747 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 -7.130 10.683 11.057 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 5.698 -0.609 -4.049 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 4.721 -3.892 -7.058 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 1.363 0.377 0.364 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 0.061 5.566 0.545 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 5.541 8.167 -1.462 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 -6.232 4.720 -12.992 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 -6.535 3.591 1.494 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 -17.314 -3.860 5.908 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 12.312 -1.052 14.699 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 -5.156 5.903 4.824 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 -17.584 18.750 -6.912 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 -17.941 11.589 -4.116 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 2.301 -1.312 0.415 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 3.765 0.958 2.842 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 -1.596 11.707 -12.468 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 4.913 -3.774 2.198 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 10.511 -9.081 -0.508 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 -4.013 2.907 2.735 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 -2.992 -5.012 -1.006 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 15.056 -1.830 -12.193 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 5.056 -17.919 15.660 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 0.955 -3.503 1.302 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 -2.986 20.440 -9.024 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 11.059 -23.448 4.724 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 -1.330 3.405 1.525 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 -0.308 3.411 -5.434 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 2.421 -11.254 3.469 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 10.439 -4.691 7.025 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 1.899 -12.454 3.898 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 -4.670 -14.492 -2.585 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 0.792 1.225 2.401 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 1.047 -5.413 -2.716 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 9.708 -6.243 13.974 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 5.271 -3.861 -0.069 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 -22.020 -13.154 6.748 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 10.984 -10.994 -13.667 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 8.997 -6.186 -5.961 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 21.372 -3.225 -10.393 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 6.908 -1.304 -9.201 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 -7.022 3.140 -0.881 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 4.128 -4.758 2.048 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 -11.103 -0.630 -10.679 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 -3.088 3.408 -0.622 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 -11.648 1.844 1.086 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 -4.792 -23.321 -10.140 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 -0.420 -6.887 -2.421 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 1.746 1.580 0.291 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 -4.147 -13.491 -11.451 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 0.389 -6.826 0.222 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 -0.304 4.512 -21.825 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 -0.272 -9.871 -0.342 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 6.210 -3.087 -5.140 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 -12.505 3.847 -8.563 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 -4.466 -8.010 1.691 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 0.211 0.338 5.296 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 -4.681 -3.741 -0.373 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 -13.213 18.958 0.187 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 -3.076 -2.767 0.878 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 -9.480 -11.610 -9.290 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 10.878 0.828 -3.356 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 3.892 6.131 -0.276 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 13.333 15.775 -23.670 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 11.230 1.416 -7.515 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 -0.677 0.198 2.544 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 -8.885 -7.622 8.023 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 -2.609 5.455 6.924 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 -1.241 4.477 4.060 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 0.816 11.817 19.900 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 15.615 0.219 0.028 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 -5.710 0.309 -3.482 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 -28.094 1.150 19.503 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 8.918 3.116 -17.498 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 2.042 0.395 -2.020 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 4.703 0.556 4.660 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 -3.273 -12.658 -2.114 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 -0.783 6.784 3.711 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 -0.827 -3.301 -1.528 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 -10.634 28.079 10.289 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 -2.538 4.648 1.605 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 -6.676 11.120 -9.607 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 18.379 2.730 -12.234 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 -1.034 0.867 -1.019 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 -9.821 1.979 7.704 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 -2.559 -21.548 -1.980 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 0.452 -3.640 -1.900 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 15.620 16.696 5.896 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 -19.770 -5.980 1.123 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 -5.584 4.977 0.839 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 8.530 6.466 -0.919 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 -9.030 14.355 7.861 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 0.387 1.804 -1.713 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 -2.223 3.411 -2.307 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 3.991 12.618 -0.344 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 5.643 -7.087 -2.091 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 -5.214 -26.581 8.881 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 24.478 4.197 3.740 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 0.295 -3.343 4.462 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 2.908 13.904 2.053 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 -8.710 -38.893 3.587 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 3.711 -1.955 0.649 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 -6.292 0.533 -10.554 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 12.463 -8.738 -2.191 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 1.518 -5.998 -0.083 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 8.484 -4.456 0.987 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 1.872 -6.027 0.097 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 -1.778 6.255 -2.988 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 2.774 -0.474 -11.577 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 -11.507 13.965 15.329 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 1.391 -1.829 5.940 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 -0.432 -8.339 5.853 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 2.278 -12.622 -20.448 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 -3.612 -1.024 -1.469 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 9.390 -2.847 4.920 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 7.183 -2.424 3.743 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 -1.778 2.942 3.260 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 4.074 -0.524 -4.122 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 -1.175 -0.543 4.434 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 -6.046 -0.636 -0.456 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 1.249 2.985 -15.965 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 0.404 -10.398 4.112 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 -6.297 0.661 7.085 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 -21.417 16.670 7.267 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 -13.619 14.477 12.865 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 -3.102 0.004 -2.823 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 13.465 -17.111 21.325 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 20.275 12.652 -23.153 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 0.563 -4.173 -2.774 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 -22.119 -19.789 -12.142 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 -5.977 11.100 3.546 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 0.076 0.888 -3.440 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 -1.796 2.432 -0.908 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 18.398 -9.696 -7.090 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 -1.751 -0.559 -0.102 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 5.802 3.042 -9.841 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 4.132 2.871 40.243 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 2.328 -5.907 -8.255 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 1.695 -0.382 -3.979 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 13.229 -5.938 4.891 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 -2.759 -3.943 3.624 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 2.518 0.196 13.707 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 -1.804 -0.073 8.584 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 4.686 -0.597 -2.144 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 1.748 -10.143 8.955 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 2.270 14.725 -10.263 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 -0.761 4.889 0.377 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 0.240 3.507 4.408 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 -5.956 5.841 -2.412 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 3.515 -6.767 1.109 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 -3.910 1.129 -12.436 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 13.604 -6.035 22.040 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 -3.757 2.100 -0.169 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 -9.677 1.364 -0.118 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 3.121 4.335 0.588 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 0.172 0.719 5.054 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 3.270 -7.263 -12.046 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 11.790 -6.846 20.021 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 3.169 -2.051 0.203 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 -23.760 -8.638 26.118 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 20.723 -6.318 1.384 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 6.628 -4.140 -1.726 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 14.759 -16.773 -7.280 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 4.256 7.724 4.800 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 3.856 0.331 -1.584 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 -8.991 1.077 -11.296 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 16.991 -5.917 -7.345 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 -2.968 -4.650 -5.929 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 -7.832 -5.575 0.499 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 0.565 -5.401 -4.979 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 -6.340 1.759 -4.049 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 -7.456 20.149 7.348 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 25.479 -12.552 7.120 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 -4.270 0.866 5.567 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 -41.586 -31.873 -7.779 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 42.829 4.110 5.901 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 -3.911 8.548 -3.299 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 6.615 -16.325 -14.196 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 -11.046 -9.181 17.676 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 -1.521 -3.062 4.300 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 1.931 -5.355 4.665 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 -11.396 -5.724 -4.767 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 -4.083 0.223 5.392 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 3.150 7.189 -4.002 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 -18.329 -19.735 6.723 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 1.101 -4.005 2.855 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 -10.563 -0.084 13.745 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 -15.152 -12.270 14.053 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 -1.619 -0.944 3.063 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 12.280 17.113 -7.386 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 -5.341 -6.666 5.792 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 -6.423 4.809 7.321 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 -11.771 17.453 16.166 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 8.796 6.276 32.920 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 -5.060 -0.928 -0.082 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 -3.347 8.829 -5.620 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 -1.962 18.985 -11.408 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 -4.861 -0.456 0.328 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 -15.316 -9.438 -2.520 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 -2.567 4.591 -2.798 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 -5.671 -5.448 1.439 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 -9.379 17.553 7.657 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 -4.751 -0.971 -10.483 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 1.643 -0.960 -0.558 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 22.641 14.507 -27.157 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 -0.208 -6.234 15.671 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 2.771 5.344 0.478 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 13.579 -20.543 7.399 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 -17.990 11.972 2.418 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 1.481 10.877 4.576 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 -14.908 9.737 -10.669 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 22.123 7.370 -6.701 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 -10.369 0.972 -5.222 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 -8.454 0.251 -8.680 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 -14.113 0.978 -5.419 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 6.033 1.027 5.118 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 1.333 6.935 2.906 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 4.308 0.289 6.691 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 -4.796 -0.478 -0.134 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 -7.547 -3.524 -1.021 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 1.127 -3.931 -4.405 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 -2.951 2.046 -3.188 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 -4.811 -3.265 -3.374 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 6.540 -36.214 -3.657 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 3.291 6.220 -0.702 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 -5.128 9.712 10.398 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 3.219 0.140 0.290 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 -9.258 -0.373 4.368 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 -17.370 -7.707 4.155 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 6.053 11.665 5.226 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 -0.009 0.712 6.405 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 8.566 -18.012 5.894 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 0.586 -15.668 10.894 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 -5.438 3.856 -6.020 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 24.524 -5.068 0.981 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 -26.456 5.853 -16.161 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 -0.453 1.851 1.563 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 -9.036 29.151 -9.384 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 -13.665 -9.577 -25.800 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 -1.266 -2.446 2.627 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 -14.954 14.263 5.941 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 20.158 -4.870 -16.040 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 0.610 -1.601 -0.264 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 -0.378 -19.329 -14.733 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 13.458 -8.034 16.309 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 -0.177 -2.657 -4.540 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 -11.467 -11.678 -3.220 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 -23.170 -5.303 11.038 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 -0.320 3.175 -2.799 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 -0.254 20.335 -8.864 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 16.074 -9.869 -23.514 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 -2.286 1.081 -0.953 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 -17.567 8.508 -1.658 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 2.852 -3.997 -12.189 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 -1.298 4.777 -4.101 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 13.050 -1.817 -0.162 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 -17.396 3.343 1.827 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 4.586 8.716 -4.647 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 -19.433 19.661 -12.542 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 -1.963 21.960 4.395 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 -0.622 -4.212 -1.098 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 7.638 -18.260 -7.928 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 2.260 1.649 -18.838 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 4.581 -0.922 2.838 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 6.015 -9.984 10.259 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 -11.640 27.674 -14.382 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 0.974 -6.235 0.168 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 -1.178 5.056 -12.779 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 -9.661 -12.456 10.250 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 0.592 -0.210 4.918 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 19.414 -5.762 13.874 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 -15.093 -4.365 16.876 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 8.912 -2.784 -3.716 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 -9.120 14.008 9.998 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 5.608 0.369 -1.346 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 -5.052 3.628 5.035 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 24.247 8.245 1.774 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 2.892 -2.871 13.963 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 2.861 0.262 -3.216 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 0.973 -0.650 2.855 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 5.433 5.236 -6.600 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 -1.371 3.475 -0.728 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 -0.667 24.694 -17.443 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 17.545 16.507 24.342 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 -2.877 -1.176 5.111 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 -11.233 10.672 1.098 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 -10.124 -5.853 9.461 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 -0.286 -4.973 -7.407 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 3.790 1.144 -8.248 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 -7.669 -3.820 -5.935 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 3.846 0.664 0.978 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 7.239 -0.659 2.195 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 17.265 36.940 41.237 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 2.620 -2.625 -4.387 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 7.022 10.109 -15.105 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 -3.147 -2.469 3.360 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 5.772 2.347 1.378 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 -9.861 4.889 -14.709 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 -6.297 6.680 -6.227 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 -2.971 -0.461 -3.200 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 -6.825 -4.585 -4.413 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 2.433 22.035 -5.161 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 -3.822 0.025 4.517 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 4.319 9.700 2.550 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 -1.679 24.235 -3.900 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 6.304 6.498 -1.180 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 0.608 5.078 0.540 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 15.423 -8.933 -0.162 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 2.245 0.487 -4.743 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 -5.200 -0.823 13.163 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 2.269 0.668 -35.348 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 4.392 2.641 -1.106 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 0.306 -4.608 -5.468 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 0.770 -3.977 2.600 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 2.328 9.158 -1.105 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 -3.800 2.026 -6.847 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 0.631 -4.212 -12.815 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 4.663 -1.681 2.479 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 29.373 14.908 16.113 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 1.946 -9.271 9.256 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 4.018 -9.321 -9.171 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 12.039 4.161 -5.407 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 16.500 17.307 -21.952 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 9.114 -0.423 4.343 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 4.410 3.963 12.805 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 18.340 -5.627 5.722 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 1.580 2.522 2.164 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 7.367 5.666 -2.940 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 2.892 6.932 3.114 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 6.645 -2.631 1.490 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 1.565 8.549 -1.977 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 9.244 -2.112 13.465 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 -0.032 -1.826 -3.272 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 4.491 -1.118 -15.774 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 -0.257 -13.964 3.428 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 -4.551 1.372 -7.910 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 2.581 -4.170 -1.960 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 -10.054 -6.760 -15.207 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 -4.028 -1.255 -2.958 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 9.007 -20.096 -28.281 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 -16.117 10.219 -20.779 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 -2.183 5.506 0.618 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 2.198 4.645 4.991 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 3.859 8.031 -4.432 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 3.534 -3.407 -2.171 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 26.194 13.536 0.254 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 -1.984 2.851 -0.982 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 -6.163 -2.072 1.770 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 6.584 -2.224 -10.305 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 -8.794 -0.819 -2.048 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 4.058 -6.156 1.036 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 -10.344 -31.276 4.575 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 -13.806 18.582 10.520 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 3.422 -3.147 2.473 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 1.603 9.429 2.804 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 -4.677 4.845 6.479 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 11.661 -0.125 1.730 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 4.795 19.257 9.131 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 14.608 -13.812 3.243 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 -0.825 2.404 1.423 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 1.298 9.963 -7.484 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 4.109 -1.954 16.132 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 -2.681 4.950 4.976 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 -2.347 27.262 6.157 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 -1.856 11.932 8.344 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 11.292 2.799 0.497 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 10.503 -3.271 21.690 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 29.613 3.059 -19.303 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 -8.552 -3.963 -10.830 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 36.608 2.929 8.968 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 -5.188 -2.455 -0.950 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 -1.616 6.069 -1.759 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 -5.223 11.006 -7.971 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 7.290 13.521 -7.995 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 4.152 0.782 -2.632 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 1.761 4.246 -7.298 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 22.907 30.090 10.898 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 -6.785 -4.614 4.447 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 -4.924 -10.918 5.386 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 -2.808 -7.439 -12.539 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 11.205 0.445 1.210 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 5.080 -0.056 -6.773 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 -3.612 -9.973 -28.774 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 0.600 0.155 0.473 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 7.860 -8.501 8.494 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 -7.142 2.416 -0.858 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 0.164 2.837 -1.230 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 10.380 12.843 24.668 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 -13.766 32.579 2.578 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 2.855 4.460 1.878 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 18.264 2.864 10.820 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 -8.859 -1.677 11.374 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 7.407 -1.480 -3.627 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 -13.569 -8.075 0.780 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 -1.967 -14.717 -0.835 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 -0.039 -2.306 -2.261 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 2.199 -9.146 -4.890 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 4.394 10.040 16.190 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 1.173 1.220 -1.020 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 -1.359 9.254 6.007 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 -10.056 -18.901 -8.339 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 1.563 4.220 3.494 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 11.234 15.256 -7.935 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 9.359 14.578 -5.888 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 1.817 -0.062 9.830 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 -10.508 -3.753 4.226 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 -3.751 -2.394 -0.359 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 -0.828 0.482 6.330 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 -0.597 15.155 9.649 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 3.491 -14.772 0.300 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 1.060 1.487 -0.165 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 3.894 -4.048 9.134 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 -2.898 -6.072 -6.363 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 2.564 -4.272 -5.526 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 0.512 -8.025 2.178 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 -0.659 -11.228 -12.364 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 -1.699 2.454 0.035 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 -8.109 0.099 2.945 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 -5.171 5.647 2.416 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 -2.663 -7.252 -0.799 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 -4.791 4.543 -2.018 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 -3.554 5.739 0.581 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 -6.502 11.099 1.353 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 7.280 14.124 6.951 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 -7.587 1.750 -7.828 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 -0.651 -0.528 -1.593 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 3.174 1.907 3.956 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 -1.429 4.236 -2.091 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 1.885 1.268 -4.087 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 -11.828 -8.122 5.495 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 -5.243 21.106 -0.041 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 -5.114 1.410 3.062 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 -4.032 -31.931 -16.566 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 -14.826 14.235 1.307 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 -2.229 -1.870 -2.744 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 5.329 21.565 15.519 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 1.317 -4.103 -9.679 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 -4.502 0.588 -1.249 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 0.351 14.301 8.332 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 12.032 11.239 -2.706 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 -0.811 -6.614 1.095 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 9.491 18.388 12.393 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 3.015 7.390 -25.957 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 0.564 0.852 -4.177 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 2.123 8.142 -13.254 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 -12.114 5.220 5.983 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 -1.402 -2.708 -5.606 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 8.027 -18.863 -18.709 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 0.781 6.704 -14.050 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 1.980 -3.443 2.212 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 15.670 -2.077 -9.764 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 -0.820 7.048 1.793 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 -2.856 5.284 -8.054 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 -6.231 12.536 -23.695 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 0.316 1.257 -8.023 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 -3.416 4.262 3.287 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 2.171 6.900 -3.931 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 -6.765 13.547 7.000 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 -3.445 -0.251 1.038 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 -4.362 -3.927 17.913 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 5.933 -11.798 -14.549 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 -2.958 -0.388 -2.940 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 2.025 20.237 -35.343 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 -8.970 -2.971 -0.982 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 3.738 1.130 1.450 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 0.972 -11.842 7.263 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 -1.746 -2.137 -11.730 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 -3.594 -0.051 -1.397 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 2.913 -15.409 0.675 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 -3.840 6.355 14.461 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 -4.185 2.837 0.627 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 -9.866 21.120 -2.233 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 -3.026 5.832 -5.502 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 0.322 -1.275 -5.367 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 2.006 -16.227 -1.528 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 3.639 -2.406 -15.741 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 4.759 -2.893 3.112 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 13.078 10.775 12.283 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 18.424 -14.192 -3.231 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 -0.199 -2.476 3.028 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 0.661 -0.115 -0.656 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 -2.254 -5.364 7.743 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 -1.551 4.225 2.572 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 -2.005 0.643 0.675 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 -2.053 -3.697 3.054 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 0.454 1.600 3.846 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 -14.038 10.755 9.384 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 2.883 -5.529 -20.845 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 -3.919 2.396 -1.525 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 -13.844 9.798 8.359 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 6.713 13.477 -5.456 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 0.474 -0.836 5.978 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 17.263 -8.600 8.858 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 3.331 -4.951 -5.533 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 4.661 6.101 10.327 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 10.708 -4.286 23.637 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 4.161 23.740 5.914 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 0.950 -1.039 2.061 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 -6.002 -6.744 2.286 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 23.736 2.423 -6.632 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 -7.184 0.732 0.193 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 -2.979 6.655 2.765 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 -3.663 -13.160 2.336 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 2.771 -3.609 -0.137 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 19.836 7.008 18.512 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 26.392 -2.946 -14.190 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 -4.549 6.284 -5.488 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 -1.077 9.633 2.698 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 -28.684 5.273 -1.003 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 7.257 -1.726 3.276 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 8.922 -2.870 5.440 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 15.770 -8.011 10.521 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 4.841 -4.608 -4.855 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 -4.878 0.120 -10.440 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 0.304 -6.685 -12.393 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 -5.255 -4.387 -2.084 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 -0.441 -7.654 7.596 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 -13.680 5.759 -21.698 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 -5.952 1.777 3.794 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 -10.158 4.655 15.694 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 -9.098 3.371 9.841 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 -4.327 0.563 -0.120 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 -0.257 13.662 -5.237 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 -13.290 2.839 0.971 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 3.928 -1.792 0.929 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 6.242 -3.947 -0.142 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 1.492 -2.471 1.203 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 7.156 5.063 6.861 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 9.969 -0.394 7.554 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 8.669 -14.861 16.793 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 2.423 -2.089 2.943 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 -18.741 -2.246 -24.025 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 28.238 5.228 2.183 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 -1.389 2.677 -1.693 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 -8.071 0.131 3.288 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 7.250 5.461 -7.502 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 -0.875 -8.635 -5.050 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 23.865 16.207 -2.634 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 -6.718 -22.696 -8.151 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 -1.473 -3.212 3.639 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 -20.752 -7.459 10.130 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 -6.654 6.759 0.415 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 -5.166 -1.174 -0.467 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 11.850 14.445 -2.007 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 -2.580 -11.378 16.333 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 -1.559 3.104 -8.019 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 -6.379 7.460 -8.384 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 -6.343 7.975 -13.117 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 8.421 4.289 3.215 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 0.127 12.131 42.034 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 14.939 9.406 -4.483 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 -5.675 2.934 3.162 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 -10.919 9.097 1.912 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 17.655 -11.368 -23.916 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 1.533 -1.384 0.597 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 3.522 0.183 2.531 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 -0.321 -4.100 -3.186 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 -4.861 -0.131 -4.324 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 -4.953 2.117 -10.007 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 -5.264 0.742 -9.817 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 1.984 3.227 -3.565 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 7.565 -0.226 1.076 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 3.481 1.117 -7.897 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 -3.592 -3.733 -1.255 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 4.042 -14.809 13.932 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 9.375 -31.694 0.694 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 1.273 4.654 7.259 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 2.714 11.674 17.809 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 -3.307 14.742 -0.306 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 5.434 -3.607 1.219 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 25.579 6.615 4.863 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 1.503 -6.022 0.046 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 1.543 6.310 -0.925 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 -23.308 0.671 -11.798 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 -10.906 -3.049 -6.707 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 -6.398 0.117 3.901 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 -3.785 -13.515 -0.278 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 -7.276 -9.747 -2.344 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 6.275 2.200 3.245 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 -12.331 9.818 11.516 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 -19.357 12.519 15.158 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 3.051 -3.224 -1.595 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 1.514 0.407 13.555 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 -2.173 -3.118 -19.494 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 0.310 -0.158 2.968 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 -4.420 -1.896 13.740 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 11.253 -21.471 2.476 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 -0.242 3.953 5.220 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 17.314 4.723 13.106 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 22.115 -7.332 -9.390 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 3.293 3.037 -4.803 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 10.713 -6.015 5.134 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 11.007 8.321 -13.661 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 -1.315 -2.308 0.875 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 3.780 -10.052 -2.938 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 -10.532 6.332 5.199 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 -0.634 1.171 9.204 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 -2.903 2.182 40.104 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 27.679 1.481 1.505 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 2.000 3.699 3.386 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 3.614 -6.786 12.337 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 27.435 -9.018 -18.991 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 5.685 -8.967 -5.363 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 -14.938 -24.819 11.578 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 1.469 -24.259 3.646 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 4.695 6.524 -7.722 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 -2.147 -6.255 -10.856 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 2.489 16.956 -15.811 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 4.613 4.348 1.561 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 2.213 -13.200 -3.324 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 8.919 11.529 -10.371 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 1.670 1.265 5.371 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 -0.297 16.006 -5.051 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 2.156 18.009 6.144 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 2.992 1.901 -2.269 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 4.207 -4.340 -9.494 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 -4.428 -4.017 1.485 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 -0.344 -0.545 0.037 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 10.446 -12.407 14.201 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 13.464 12.517 -9.058 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 3.224 2.210 -2.258 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 2.312 12.362 5.385 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 14.633 0.201 -4.436 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 5.583 1.326 8.688 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 6.771 16.125 5.603 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -4.593 -6.371 2.525 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 -3.112 1.150 -0.337 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 17.524 5.835 1.583 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 -13.587 17.677 0.716 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 7.143 2.386 -2.763 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 5.790 7.116 -14.846 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 5.794 7.353 -9.431 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 2.170 -3.037 1.827 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 1.127 -2.257 -1.587 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 15.117 -8.890 14.743 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 4.394 -7.492 -4.396 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 11.029 -10.728 1.397 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 -5.579 2.559 -7.128 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 1.148 -0.597 -0.597 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 4.338 -9.988 1.547 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 5.281 -7.754 1.127 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 -0.202 -5.145 -2.505 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 18.359 -3.951 -6.264 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 4.030 -11.392 7.951 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 2.105 -2.340 1.677 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 0.661 -15.945 -16.127 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 2.068 2.414 17.508 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 4.741 -4.995 -2.696 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 -6.735 25.704 1.878 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 -28.805 -3.323 -1.548 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 -2.746 -3.684 -0.208 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 18.349 2.594 -0.525 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 -5.170 -4.361 0.017 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 3.928 2.629 -1.986 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 -3.777 12.562 3.283 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 4.208 2.097 -8.484 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 -3.729 -4.010 -0.416 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 -12.863 8.118 4.363 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 -7.329 -29.066 -4.036 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 2.225 -4.844 2.425 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 10.585 -0.224 12.545 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 16.174 -2.237 3.297 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 2.887 8.113 0.481 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 -4.919 -1.431 4.331 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 13.558 -24.379 -11.972 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 -9.099 5.564 -3.229 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 12.709 10.353 -16.473 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 -5.201 -35.006 -7.894 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 5.504 6.680 2.843 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 -2.499 -0.789 4.359 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 6.029 2.460 22.525 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 8.053 -4.309 2.739 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 7.621 -3.677 3.307 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 8.800 -8.351 9.438 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 0.373 -3.679 -1.001 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 -19.545 24.034 -10.089 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 -5.272 -17.705 -23.257 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 -2.677 -3.062 -3.539 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 13.333 2.392 3.448 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 -11.084 -2.822 2.576 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 -2.187 1.147 7.411 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 -4.911 3.172 9.893 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 1.283 -0.447 2.781 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 -5.745 -3.608 -2.856 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 -6.304 -6.721 -2.510 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 -1.429 1.490 -0.902 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 3.039 -0.783 -5.336 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 12.574 -8.933 -10.082 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 -3.522 -6.352 -1.408 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 -4.480 -2.994 -3.468 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 -1.338 -3.836 2.991 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 -5.289 -4.954 19.618 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 1.839 0.936 8.285 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 -0.476 4.355 4.689 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 -24.254 17.469 -9.690 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 4.683 -2.978 8.263 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 12.296 -29.605 -10.177 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 -25.615 -3.138 -6.716 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 -2.431 1.765 -1.133 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 -4.966 -2.307 -13.280 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 14.237 -3.092 3.196 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 -1.908 4.921 1.521 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 21.995 4.337 -6.742 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 -11.774 27.375 -10.535 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 6.484 8.162 0.446 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 -3.551 13.645 -23.303 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 -15.440 -13.202 18.479 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 0.609 0.566 4.090 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 17.114 -13.837 10.401 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 -5.655 4.966 2.992 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 3.539 2.544 3.110 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 -0.260 31.883 -1.019 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 29.185 7.041 -4.207 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 4.517 3.622 2.207 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 8.177 -16.562 6.457 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 0.366 22.605 -9.366 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 0.790 0.127 -0.753 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 4.715 -1.588 -11.119 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 -2.139 11.859 -6.540 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 2.979 4.916 5.255 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 -2.517 10.588 11.654 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 -6.389 -3.671 8.796 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 -0.654 3.416 4.111 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 -9.986 0.957 -0.840 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 10.409 4.669 5.062 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 2.572 -7.104 -3.066 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 3.632 14.295 13.466 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 17.115 8.862 -14.878 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 2.549 -1.733 -2.918 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 -12.232 -10.778 -0.459 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 13.762 -15.977 -12.533 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 1.335 4.877 -1.989 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 6.956 -12.434 -1.166 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 5.242 27.982 -18.463 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 -3.144 0.900 7.166 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 9.116 -32.201 28.875 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 -16.137 17.173 14.445 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 -4.672 1.485 3.509 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 -12.251 -4.969 -9.298 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 -0.260 6.730 10.974 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 -0.317 3.827 -6.796 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 -7.773 -4.268 -8.199 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 2.204 5.926 -5.989 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 -4.993 1.141 -3.016 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 -5.800 5.701 -4.169 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 -8.648 -24.867 3.725 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 -4.969 0.424 -4.931 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 -3.597 1.872 -3.577 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 -4.581 2.058 -5.974 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 3.713 -5.865 -1.248 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 -2.718 0.969 -11.797 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 5.392 -8.822 6.518 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 -4.102 3.226 5.036 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 1.012 12.301 -31.491 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 17.246 -19.005 9.879 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 -2.580 -3.296 2.201 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 -2.088 -21.255 -2.394 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 -3.245 7.493 -14.930 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 2.023 2.612 -1.134 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 -5.132 -19.134 -2.284 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 -8.690 -9.980 -6.348 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 1.072 0.384 -6.796 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 -26.192 12.504 34.109 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 -10.140 6.439 11.495 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 0.111 -4.084 -5.226 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 -0.058 5.625 -5.840 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 -1.510 -11.408 -1.835 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 0.137 -7.348 -2.450 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 11.118 11.512 -2.219 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 15.961 -11.458 -4.639 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 3.737 1.259 0.829 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 -13.809 -3.861 7.347 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 -2.230 0.091 -15.728 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 3.825 -2.395 -0.963 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 10.127 -6.251 -7.210 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 5.267 -5.232 -0.122 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 8.224 -0.738 2.811 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 0.579 -12.055 3.824 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 8.233 -8.557 0.007 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 0.576 -1.536 0.566 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 19.145 -6.122 2.221 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 -20.670 -23.265 -3.441 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 -1.291 4.508 1.821 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 2.167 -0.722 -4.607 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 -3.446 12.701 -0.429 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 1.238 1.976 4.296 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 1.020 6.387 5.424 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 -0.574 -10.796 6.211 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 3.021 4.236 -7.952 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 -15.598 -6.213 24.509 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 6.192 1.019 -11.876 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 -3.372 -3.313 4.603 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 11.266 8.084 -4.957 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 0.879 1.802 16.474 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 -1.111 -0.012 8.082 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 -25.287 -21.790 25.250 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 10.489 8.312 12.054 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 -1.276 2.600 1.865 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 18.416 14.985 6.103 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 8.143 -22.607 10.667 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 0.367 0.289 -3.831 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 1.194 -3.275 -4.132 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 -3.209 7.320 13.647 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 -1.475 -1.078 1.305 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 -10.392 20.130 9.113 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 -19.397 11.939 -12.259 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 -6.666 0.678 3.473 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 -7.151 1.078 2.166 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 -9.787 -3.745 -1.831 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 -2.646 -1.796 0.977 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 13.689 13.867 -0.827 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 -2.494 -4.874 -5.602 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 -7.945 -3.719 6.826 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 -10.883 13.828 28.027 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 8.271 -10.011 7.267 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 4.290 2.179 -6.199 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 2.967 49.319 -2.093 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 25.016 -12.085 -30.467 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 0.507 -6.705 -1.692 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 15.388 -0.558 -9.385 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 14.278 -0.548 -23.890 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 3.083 1.695 6.572 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 -34.857 32.875 2.362 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 -36.785 -9.080 23.690 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 7.409 -4.017 8.063 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 -6.215 -9.756 4.032 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 -20.943 -18.525 -5.394 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 1.345 -9.681 -9.861 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 -7.361 -14.484 -7.799 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 -7.063 0.534 -20.072 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 -2.422 -0.373 -1.231 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 -5.695 34.641 -2.195 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 -8.430 20.948 -3.694 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 -1.650 1.886 -6.824 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 -21.066 -22.855 -4.623 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 5.517 -17.151 18.139 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 4.957 1.424 0.631 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 -4.631 -14.300 10.066 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 4.423 -9.150 25.437 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 -1.575 -0.622 -5.660 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 14.956 -0.498 -8.090 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 0.486 2.920 -0.310 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 12.045 4.028 2.714 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 -3.554 -3.690 14.368 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 12.508 27.614 -9.719 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 -3.305 -1.496 -4.964 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 4.909 13.804 -3.956 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 0.741 -14.526 -6.051 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 3.826 10.036 -0.152 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 -32.322 13.560 -2.602 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 26.162 8.170 2.245 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 -1.993 -3.951 5.205 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 29.094 3.951 -17.731 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 -2.143 -6.323 2.901 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 0.696 -1.786 5.845 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 -0.835 -12.830 3.101 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 11.440 6.223 8.367 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 3.268 9.811 0.472 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 -17.191 -11.065 -7.357 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 -13.196 -9.069 -0.237 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 -1.507 -3.381 4.982 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 -5.759 16.523 -9.476 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 13.372 3.500 -6.111 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 1.174 2.691 3.441 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 -15.535 -12.999 7.198 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 -11.970 11.507 26.401 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 1.585 4.947 -1.060 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 13.118 -0.771 14.008 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 2.540 -9.618 7.283 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 0.991 1.945 4.699 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 5.041 10.037 6.646 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 -2.784 -0.425 5.347 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 -2.423 1.118 0.530 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 8.096 -16.270 -16.082 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 44.647 13.179 -13.260 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 -3.744 6.582 4.338 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 -5.417 -2.467 -0.114 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 -3.821 12.611 -4.416 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 4.698 -0.345 -3.592 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 -1.090 -6.280 3.977 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 16.496 -0.689 -27.664 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 0.869 2.853 -1.230 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 10.218 7.999 9.017 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 6.587 3.722 -2.503 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 2.158 -1.063 4.563 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 -4.354 5.152 -10.077 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 15.240 -7.026 12.459 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 4.183 -1.529 2.643 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 7.782 -4.125 7.045 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 2.919 -5.010 6.627 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 -1.879 0.100 1.901 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 -6.972 -13.305 4.603 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 8.844 -5.678 1.370 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 4.122 2.580 2.531 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 2.974 0.567 -3.745 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 -2.141 -2.822 -11.040 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 -4.763 0.966 -0.722 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 7.125 19.477 2.780 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 -11.866 -14.234 -4.415 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 -7.452 3.289 1.614 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 -11.738 -7.598 -2.183 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 -6.354 8.263 3.662 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 -1.448 -5.091 1.811 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 -9.647 -18.672 -18.041 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 1.768 11.399 0.073 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 5.922 9.378 1.499 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 -4.127 -15.628 14.093 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 0.236 4.091 -2.341 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 1.618 -2.769 4.720 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 4.797 -8.894 1.586 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 -2.939 -0.195 7.734 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 -3.109 -2.080 1.368 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 -20.181 1.238 3.169 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 -0.173 -4.958 -14.959 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 -4.982 0.707 0.344 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 -0.736 -10.988 8.917 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 -6.814 5.186 -2.242 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 2.076 -0.703 3.223 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 -4.972 -5.221 -14.272 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 18.585 8.150 -3.127 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 0.469 5.350 -3.012 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 9.307 3.243 18.895 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 -15.709 -12.399 -5.623 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 0.537 -2.810 -6.161 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 -1.316 -2.841 2.414 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 -8.651 -0.525 8.555 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 1.135 -2.339 5.237 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 2.731 2.599 -22.372 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 1.348 -8.230 22.515 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 2.838 7.731 -3.544 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 -12.789 -17.752 -8.520 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 5.450 17.893 28.327 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 2.300 5.394 -2.405 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 -8.102 9.599 41.382 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 19.553 7.531 4.820 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 0.942 -3.752 0.914 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 -6.163 -2.194 4.208 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 -13.772 -6.268 3.229 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 -0.965 -4.634 -7.439 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 7.780 -12.737 -11.778 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 -4.508 -13.354 -21.905 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 0.050 1.207 3.167 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 -6.206 1.150 3.866 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 0.664 3.575 -2.554 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 -0.477 3.211 -5.656 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 0.205 -5.757 13.930 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 3.405 9.509 -1.227 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 3.443 -4.003 -0.565 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 5.645 1.479 -26.806 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 -7.849 -3.726 17.626 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 0.132 3.828 3.522 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 -3.291 4.710 -1.598 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 -5.607 2.860 -10.822 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 -1.016 1.565 4.193 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 -20.343 31.123 9.585 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 -14.893 1.189 -17.005 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 -3.874 -0.699 -4.664 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 2.822 3.727 24.125 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 -0.729 8.479 18.710 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 5.377 -0.733 -3.846 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 -16.859 6.925 19.429 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 4.312 -1.731 34.389 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 4.627 -3.116 3.351 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 -4.955 2.633 2.872 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 -13.604 -20.549 0.706 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 4.875 4.551 5.393 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 7.914 5.384 2.368 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 -14.568 0.765 -46.131 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 1.301 -0.527 4.069 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 -2.955 14.215 13.978 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 -0.273 8.167 12.973 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 -7.306 1.302 -4.136 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 9.639 -21.409 20.481 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 -13.630 11.410 -11.206 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 -2.319 0.333 4.155 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 -5.595 4.317 6.810 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 -4.450 -8.045 5.138 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 -1.234 -1.944 -1.129 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 -17.933 -1.299 -8.107 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 0.690 12.562 10.758 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 -5.211 -0.443 1.581 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 -14.102 -6.042 -1.005 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 -3.139 -0.092 9.912 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 -0.530 -3.418 2.731 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 29.153 -8.810 -8.036 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 -9.163 -5.565 2.150 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 -2.878 4.341 0.052 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 -11.920 -8.183 -1.272 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 11.501 17.647 -9.826 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 -7.758 0.501 -1.119 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 7.420 -2.423 -15.972 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 16.462 -1.205 1.605 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 -4.252 6.824 -2.448 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 2.003 -25.292 22.800 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 4.199 -5.159 3.286 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 -2.730 1.075 8.110 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 17.819 2.348 -10.781 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 5.272 9.071 24.554 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 1.692 3.384 2.476 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 13.988 -0.869 -14.570 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 -25.885 7.496 25.772 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 -2.306 1.582 5.111 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 -3.332 -0.729 6.338 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 4.322 8.034 5.473 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 3.193 0.347 -1.388 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 -24.738 12.596 -7.703 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 26.022 20.469 27.003 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 4.023 -0.441 4.429 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 -6.636 -13.576 20.107 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 26.743 -5.939 7.388 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 1.995 0.436 -4.716 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 14.350 -19.335 17.568 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 -23.594 12.079 12.792 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 3.772 -0.849 1.841 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 -0.145 -4.125 -4.980 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 -5.047 1.383 4.692 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 5.189 -5.529 -1.487 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 -10.118 1.832 14.494 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 11.651 -4.992 0.844 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 6.126 -0.190 -6.751 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 2.560 2.592 -8.891 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 5.061 -6.576 -7.353 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 -2.682 -0.588 -5.263 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 16.819 12.026 -5.621 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 -13.100 -16.395 -6.572 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 3.547 -0.828 -2.009 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 7.928 2.399 5.260 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 8.427 -2.438 -6.281 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 -3.848 2.065 3.941 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 15.636 -15.760 1.888 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 5.570 -6.030 2.911 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 1.435 -4.506 5.601 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 2.030 -2.604 2.894 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 -7.793 -16.120 8.193 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 7.826 4.763 2.501 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 -10.617 3.391 -8.585 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 12.830 -11.587 0.280 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 -3.597 -12.834 -6.025 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 -0.679 -12.758 -7.760 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 1.169 -6.832 -5.581 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 -4.441 -2.273 -0.629 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 8.936 -3.687 3.954 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 -16.780 -4.360 -2.644 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 -0.882 -3.905 0.220 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 17.736 -8.529 -1.264 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 13.204 -11.276 -8.293 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 -1.419 -5.258 -5.738 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 9.188 6.316 -8.313 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 0.079 -0.570 -6.987 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 -3.007 -2.227 -3.899 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 -5.251 -5.735 1.649 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 -14.605 3.846 3.300 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 6.915 4.053 -4.106 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 -19.177 5.962 -2.180 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 16.300 7.896 21.094 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 -4.648 4.871 -4.128 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 7.454 -4.112 -22.582 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 -7.713 -9.157 9.606 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 -3.975 4.666 -0.947 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 -3.954 13.149 -3.499 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 -2.104 6.152 6.457 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 -3.627 -3.713 1.535 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 -2.844 -7.421 -6.705 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 -9.146 -10.124 6.570 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 0.037 6.615 -3.769 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 -3.756 18.299 31.300 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 12.348 19.856 -48.134 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 1.952 -3.144 -1.502 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 8.468 -13.908 -4.237 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 -8.210 1.722 -2.897 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 2.302 -7.135 2.684 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 11.635 7.336 -1.362 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 -5.991 -20.568 6.508 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 -1.676 -0.964 -0.687 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 13.285 8.597 -6.462 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 0.628 -9.669 -17.506 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 0.889 -3.330 -4.465 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 -20.898 -21.423 -19.631 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 15.568 10.880 8.334 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 2.437 7.507 4.728 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 9.895 -4.359 -7.969 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 9.545 9.714 10.793 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 -8.962 -3.259 3.305 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 -16.767 5.614 -13.230 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 2.417 17.936 -2.234 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 2.517 -1.558 -0.011 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 -0.975 10.618 24.179 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 -6.264 -31.898 6.171 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 -1.990 -2.269 -2.584 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 -2.956 25.518 -8.881 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 2.375 10.202 -6.845 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 -5.028 -4.549 -2.785 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 -14.219 -11.042 -19.777 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 3.704 -0.364 11.713 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 -1.590 4.545 -3.540 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 1.232 11.758 -9.850 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 -7.078 2.266 7.183 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 -0.369 -0.815 -5.668 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 5.638 7.024 -4.838 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 2.649 6.207 -3.767 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 0.143 -2.054 -1.001 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 8.255 1.855 3.955 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 10.529 3.218 8.951 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 -9.863 1.125 -3.467 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 1.944 -3.268 -12.033 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 -5.452 6.378 -7.141 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 1.656 0.421 -0.573 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 -18.503 -3.487 -21.078 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 0.880 -11.453 20.711 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 0.522 0.257 0.336 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 -3.100 -0.572 -2.182 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 9.284 2.695 -2.507 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 0.546 -0.634 -2.867 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 6.210 0.951 5.620 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 1.707 -0.265 -10.334 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 1.107 9.480 -7.064 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 4.852 14.551 -11.688 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 -3.978 0.896 3.473 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 -1.035 0.199 0.518 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 9.051 15.456 -5.537 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 24.175 -10.770 2.491 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 0.173 0.706 3.392 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 3.455 -19.914 8.750 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 3.214 -23.628 7.966 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 4.044 3.258 0.090 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 12.320 -4.107 -1.537 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 3.633 8.279 4.626 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 3.306 -3.034 5.221 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 -10.994 -12.959 -28.422 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 8.788 -0.847 -12.608 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 -2.633 2.296 0.925 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 -8.576 -6.195 0.683 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 2.936 -28.870 16.127 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 2.254 -2.655 4.489 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 11.944 -7.689 18.541 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 14.995 10.430 4.044 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 3.932 -4.679 -5.363 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 13.387 1.336 14.833 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 10.589 -8.409 16.645 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 2.522 -7.351 -0.761 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 15.664 13.483 -29.808 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 2.213 -3.739 -12.929 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 -4.189 4.244 -0.646 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 -18.810 7.134 6.660 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 13.460 8.313 14.745 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 1.283 1.902 -0.630 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 2.827 9.661 -14.426 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 -3.307 -19.620 5.733 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 4.030 3.829 -1.645 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 1.006 -10.096 0.378 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 -0.052 -5.269 0.226 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 -3.536 2.289 -6.451 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 4.751 9.359 -4.925 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 0.601 1.554 19.396 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 4.198 -1.912 -0.908 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 -5.526 15.565 -3.102 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 23.107 -16.090 32.859 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 5.209 5.111 0.201 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 1.128 20.207 2.894 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 10.637 -6.125 3.257 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 -1.188 3.730 0.962 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 6.313 17.224 5.654 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 -2.083 -3.453 -10.061 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 3.079 4.794 8.225 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 5.356 -0.941 -11.461 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 7.174 6.969 22.657 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 1.867 -3.422 -1.351 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 22.918 7.654 8.234 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 20.799 -15.238 2.766 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 3.612 6.879 -4.284 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 -19.149 19.300 -19.332 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 2.384 -8.998 -0.019 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 4.291 -3.708 -2.385 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 5.378 3.584 0.764 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 -0.760 -8.126 -2.736 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 -0.415 3.900 4.460 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 5.871 8.637 8.260 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 -4.040 -3.068 6.948 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 8.552 -1.660 3.007 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 12.479 -6.539 9.131 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 7.255 35.017 -23.539 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 -6.411 8.845 -6.559 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 -18.412 17.912 -1.948 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 4.920 3.710 -14.980 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 -4.057 3.200 -2.455 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 -20.811 10.788 -10.870 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 5.743 -12.364 -11.776 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 -0.667 6.058 2.802 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 5.567 1.250 6.507 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 -6.895 4.140 0.151 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 1.604 -0.433 0.371 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 17.303 9.027 -4.099 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 -7.906 10.007 -10.352 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 0.980 0.011 -6.796 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 -9.894 23.424 11.107 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 -2.687 8.772 -0.753 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 3.745 -2.260 -6.662 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 8.408 -7.004 -3.952 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 9.428 24.357 6.601 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 5.192 2.224 3.058 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 9.660 6.764 5.795 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 6.546 -0.571 4.992 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 3.471 1.347 -0.795 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 3.214 4.159 -11.314 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 -5.897 4.048 12.263 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 -3.337 0.834 -2.159 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 -0.635 1.563 -3.044 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 4.686 2.080 30.039 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 4.300 -3.725 -0.598 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 -3.656 -5.890 1.468 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 7.428 -2.999 -2.233 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 1.582 0.864 -5.655 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 4.605 -3.023 18.097 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 8.884 2.124 -7.786 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 -2.434 -1.292 0.801 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 10.924 -6.267 -7.284 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 16.763 -7.845 -10.220 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 -2.543 0.980 4.126 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 -2.397 -7.284 12.037 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 -2.600 -0.248 3.848 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 -5.107 2.626 6.808 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 -9.359 -0.907 4.820 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 -4.985 -2.775 10.030 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 -2.930 -2.588 3.328 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 22.469 -21.721 0.140 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 -12.324 4.918 3.674 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 7.154 -3.947 3.569 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 13.248 -15.958 6.802 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 4.558 2.506 23.521 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 1.915 -6.463 5.108 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 -18.012 -11.675 0.950 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 3.415 -9.153 6.255 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 1.667 3.804 -3.616 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 -0.207 10.534 -14.011 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 -8.481 3.502 4.479 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 -6.860 3.361 0.122 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 -2.799 1.533 0.732 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 14.550 2.045 7.063 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 5.096 3.524 -4.891 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 13.138 6.882 -5.600 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 -5.148 5.186 -3.380 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 -0.623 1.310 4.020 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 -12.450 -4.618 9.870 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 5.195 3.680 -0.059 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 0.858 3.624 -1.367 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 -9.434 6.012 8.268 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 -8.249 2.875 -3.246 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 -2.267 -8.917 -5.099 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 -3.155 -13.553 -2.734 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 17.838 -12.952 -5.319 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 -2.994 0.630 0.553 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 20.244 16.271 -5.965 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 -23.975 -0.209 8.809 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 -6.235 0.125 -3.895 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 -18.982 20.177 -3.305 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 -9.977 2.717 -5.221 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 -4.321 -1.958 -5.004 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 -9.719 -16.191 -13.010 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 -9.208 16.884 4.850 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 -2.590 0.936 -5.026 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 -2.016 -0.879 -11.486 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 3.538 -13.927 -0.001 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 -3.800 -3.830 1.440 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 8.149 4.302 -32.477 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 24.827 13.494 19.357 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 -5.097 4.381 2.900 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 -4.317 -10.173 18.915 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 8.198 -2.339 8.270 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 1.344 -3.516 5.077 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 -1.827 8.257 5.260 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 -10.450 22.079 12.566 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 -5.537 4.743 -5.842 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 -4.022 -27.087 -4.005 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 -7.666 2.628 -7.450 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 1.042 -3.893 -1.356 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 5.637 1.115 -16.673 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 -1.595 -18.426 1.746 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 -3.038 2.484 1.315 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 -4.096 1.405 20.067 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 -9.609 18.997 -1.893 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 3.131 -0.540 0.369 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 -3.368 9.462 -6.382 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 2.049 -12.388 -8.803 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 5.208 0.082 1.070 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 -0.341 16.998 -17.652 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 10.347 -1.400 6.760 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 2.645 5.765 4.150 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 -0.698 3.386 -7.083 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 -4.716 13.067 4.595 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 -6.746 -0.484 2.689 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 -18.557 -4.966 1.688 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 -0.378 -10.785 10.510 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 2.931 -1.895 -5.019 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 7.161 8.245 13.213 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 9.273 9.626 16.509 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 -6.258 1.252 -1.798 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 8.658 12.132 -5.734 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 -0.848 1.394 12.375 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 2.230 3.124 -3.618 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 1.885 7.468 -15.754 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 5.658 3.085 6.523 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 1.252 -0.148 1.248 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 25.674 -12.009 3.877 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 -8.623 -2.524 -10.809 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 3.483 -6.056 1.657 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 -0.601 -9.900 7.429 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 21.390 10.921 -7.188 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 1.025 1.253 -1.014 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 1.198 14.608 7.094 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 16.007 -8.971 19.121 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 7.399 -5.424 -0.290 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -7.921 -1.468 -20.674 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 -12.207 0.741 -7.567 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 -1.798 2.120 0.630 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 -4.638 8.085 -8.353 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 -14.110 -7.036 19.720 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 -1.323 4.825 -3.718 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 -3.670 9.008 -14.802 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 1.764 11.539 9.725 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 1.317 -0.892 3.949 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 -14.905 7.505 11.243 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 15.238 -5.766 10.601 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 -6.630 1.896 3.274 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 2.454 -8.173 10.650 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 -10.150 4.257 -1.607 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 -6.416 -0.852 0.193 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 0.059 -8.535 32.274 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 -1.717 21.769 -7.961 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 -2.062 -2.627 5.624 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 5.755 -16.614 -18.005 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 -5.213 8.727 6.327 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 2.004 2.379 -4.260 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 6.735 10.392 -17.313 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 4.081 9.114 -3.954 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 -2.776 -2.291 -2.596 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 5.190 -1.883 8.968 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 15.301 -11.064 -8.420 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 4.951 -7.636 1.649 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 3.935 -28.531 -17.108 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 -13.353 3.745 10.768 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 -3.127 -5.497 -4.096 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 16.809 -22.925 22.826 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 16.487 11.146 -7.431 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 0.278 1.376 -2.066 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 -5.892 0.822 3.008 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 5.862 7.882 -9.375 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 -4.341 -3.218 -0.625 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 -10.669 4.072 7.130 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 -0.229 -14.198 11.369 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 -2.283 -5.928 11.011 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 -11.655 16.519 6.788 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 12.931 -11.948 -1.715 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 1.956 -1.368 1.020 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 5.004 0.860 -14.571 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 9.892 9.276 13.631 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 5.337 0.029 7.206 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 -0.166 -5.461 -13.990 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 16.828 -17.145 14.958 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 -0.634 -3.454 1.136 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 -1.143 -6.379 4.686 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 -7.966 -1.761 5.548 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 3.582 -3.475 1.306 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 9.769 2.800 -0.107 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 3.153 -9.509 1.521 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 -2.360 -0.253 -1.880 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 -0.875 4.576 2.298 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 1.991 -4.830 -5.047 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 -0.821 1.683 -4.841 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 -3.637 -5.166 -29.768 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 -2.926 -6.596 -27.151 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 5.492 -1.778 -1.470 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 8.537 1.932 -16.892 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 -9.832 1.892 -5.518 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 -1.409 -1.652 -1.341 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 17.268 -9.084 19.169 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 -6.172 -1.109 1.563 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 0.189 1.960 -8.683 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 10.533 3.943 9.053 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 3.243 0.192 13.601 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 1.489 3.465 3.491 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 2.437 -1.416 -7.227 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 21.818 -13.725 5.897 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 -3.741 3.542 1.070 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 -11.134 -7.959 -3.932 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 1.628 8.627 1.775 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 -4.912 2.794 1.603 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 6.518 1.317 1.334 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 -3.615 -15.319 -7.367 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 0.427 -9.902 -3.557 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 -4.250 -6.686 -8.823 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 3.592 -11.329 -0.496 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 5.262 -8.295 -6.521 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 -1.061 16.645 25.451 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 9.248 -11.189 -6.458 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 0.081 4.794 4.180 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 9.253 9.188 -19.775 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 -5.427 -13.296 5.679 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 -2.141 -5.128 0.498 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 10.382 -0.415 -6.675 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 7.230 12.743 11.989 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 4.098 -4.725 2.517 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 -1.556 -2.373 6.683 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 -19.095 -2.697 -5.238 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 -3.119 -3.479 8.401 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 3.845 0.789 -14.995 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 22.179 13.924 -6.856 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 -1.584 -2.365 1.035 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 -16.111 -8.153 11.676 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 21.484 -16.868 28.118 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 -0.506 0.324 6.587 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 -6.612 1.444 14.281 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 0.138 2.222 7.721 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 -3.472 0.187 0.368 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 7.255 18.618 0.077 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 -10.570 4.975 26.922 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 0.139 -8.241 3.176 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 4.582 -10.695 -2.765 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 1.758 -15.858 -7.405 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 -2.882 5.472 -2.689 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 -13.646 -7.931 -21.650 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 -0.359 6.895 -1.171 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 6.466 -4.090 -3.054 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 -2.286 -1.955 -11.814 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 1.616 -1.465 6.346 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 5.552 -3.480 -0.549 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 -3.425 -10.356 -32.257 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 -21.797 -18.712 11.390 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 0.408 6.763 -2.132 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 8.444 -10.628 16.232 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 1.760 -0.586 1.408 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 2.688 -8.690 -0.428 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 4.132 4.460 -5.581 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 3.128 -6.827 -5.652 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 -6.012 4.373 9.389 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 -11.897 9.741 -7.284 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 -6.122 -6.779 -7.577 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 0.443 -4.755 -0.159 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 3.261 -5.272 3.859 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 -9.044 -11.050 -0.186 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 -1.753 4.185 4.783 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 5.371 -1.214 12.586 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 15.305 7.934 -0.380 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 1.143 0.710 -3.512 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 0.896 11.343 -8.545 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 7.758 4.340 16.672 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 5.024 -3.377 -5.051 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 1.105 -2.120 -18.121 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 -1.795 10.011 3.502 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 -4.476 2.286 3.881 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 -6.455 5.707 -0.557 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 -11.787 -5.548 30.590 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 3.296 3.424 -0.952 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 -4.226 -2.704 4.092 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 -3.193 -1.511 21.231 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 -6.180 -3.987 3.122 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 -9.197 -9.642 -5.070 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 -29.053 18.586 -37.018 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 -0.232 -2.393 0.030 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 10.210 20.104 -10.576 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 -1.700 8.202 20.132 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 -2.941 -1.626 3.292 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 -4.213 5.302 0.700 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 4.850 13.503 2.330 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 -2.465 0.317 -1.039 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 9.758 6.461 0.484 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 -15.649 4.882 -3.123 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 2.908 1.338 -3.673 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 -11.845 -5.205 -0.391 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 -14.676 11.423 -10.399 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 -2.371 2.569 3.242 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 5.449 -21.589 -4.878 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 11.182 -22.378 -9.783 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 7.205 -0.389 -2.633 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 7.653 -5.037 2.536 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 9.223 -6.639 10.824 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 -2.193 -0.969 10.480 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 -14.487 -9.110 -5.140 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 -32.032 13.997 9.151 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 5.794 0.574 0.057 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 0.275 2.631 21.569 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 -1.486 2.680 24.481 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 -0.323 10.085 3.147 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 5.288 8.589 -2.663 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 -1.116 1.029 4.486 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 -1.033 2.028 -3.846 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 2.759 2.942 14.614 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 4.672 2.708 1.830 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 -8.880 -5.389 -0.413 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 -21.618 2.012 -11.288 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 -8.034 -6.038 -2.594 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 -2.102 -2.250 3.147 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 -14.512 13.328 -4.476 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 -12.001 -20.156 -8.952 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 -0.173 -8.483 1.247 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 1.094 2.698 -16.775 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 -10.471 4.472 -12.145 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 -1.390 -0.131 2.081 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 -2.292 -3.780 8.092 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 -0.823 4.496 -4.383 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 -1.274 5.392 -2.624 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 0.656 8.410 -0.603 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 0.995 17.833 5.006 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 -2.022 3.201 1.434 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 6.142 -9.293 7.149 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 -1.778 6.212 2.010 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 2.350 -0.015 -0.500 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 -12.247 -8.770 -7.931 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 17.196 -9.609 -6.402 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 2.504 -1.857 -3.613 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 5.722 -4.511 -7.787 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 1.064 -23.485 -9.290 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 -7.046 1.312 -0.180 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 -18.593 20.556 -3.815 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 4.153 19.524 13.808 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 3.898 -0.016 2.016 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 -6.650 -1.438 -3.145 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 1.824 -15.195 1.880 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 5.349 4.937 -2.034 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 13.595 -5.219 -0.092 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 0.314 1.859 -17.473 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 -0.339 4.495 -6.200 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 -15.565 5.915 17.646 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 2.504 -5.775 -6.454 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 1.423 0.709 -2.655 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 -7.615 20.271 0.776 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 16.075 2.388 -9.176 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 -4.710 -2.505 6.262 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 17.838 3.294 -1.251 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 6.593 3.544 6.181 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 0.685 4.740 2.723 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 -14.781 -0.425 -28.087 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 -5.040 4.398 -1.300 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 3.630 -1.278 -0.323 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 -1.786 -33.985 16.581 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 4.550 -12.220 -4.609 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 -3.376 6.919 -6.436 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 0.190 9.002 -2.391 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 31.068 9.507 0.247 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 -1.177 4.034 -2.764 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 5.727 -10.208 -14.928 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 -0.822 8.728 2.271 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 -3.430 1.287 -2.981 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 7.811 -31.940 -23.494 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 -3.730 6.899 1.196 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 -4.547 3.441 7.038 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 -19.951 -23.116 30.857 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 2.095 10.245 4.731 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 -10.581 1.370 -2.103 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 -6.169 1.408 -16.338 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 -12.444 0.694 5.353 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 5.769 5.569 2.754 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 5.767 8.469 -13.221 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 8.581 3.160 10.336 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 -2.592 0.296 -5.198 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 13.580 9.107 -1.612 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 10.768 -1.698 -16.779 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 1.854 -3.299 5.270 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 -5.222 -10.745 4.759 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 -2.014 5.294 24.478 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 5.077 -4.994 3.149 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 -14.812 -21.583 -8.269 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 9.323 -1.077 -8.214 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 0.122 0.725 -0.666 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 4.868 -6.402 6.300 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 -9.795 9.041 2.777 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 3.651 -4.834 -0.184 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 -2.957 7.275 -10.390 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 -25.539 -5.006 -5.934 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 -0.064 1.891 4.295 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 11.416 32.898 -5.402 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 7.233 -0.214 -13.534 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 -3.784 1.927 -5.783 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 -11.710 15.597 4.259 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 -19.521 -13.504 -5.860 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 -5.423 1.878 -6.331 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 4.016 15.896 10.070 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 -18.731 -6.957 -4.738 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 -9.338 -1.447 0.688 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 18.951 -1.595 -15.309 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 -17.235 -20.683 15.821 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 -1.849 0.764 -3.344 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 -6.752 11.198 -3.995 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 -0.035 -11.321 2.984 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 0.030 1.400 -1.174 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 -13.476 10.045 28.860 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 -13.630 -3.511 -3.472 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 2.128 -1.201 -3.558 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 0.104 3.005 15.750 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 5.825 -11.459 12.471 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 4.854 -4.676 -3.515 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 10.938 0.221 -5.225 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 2.067 -10.757 -7.683 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 -1.104 5.335 -4.820 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 11.422 -32.791 1.451 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 -28.623 -3.029 -12.246 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 3.868 -1.841 -2.129 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 -3.963 0.657 -9.228 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 4.603 1.165 -7.742 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 -3.290 1.805 0.977 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 -0.433 -23.954 0.914 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 -1.464 -14.293 1.106 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 4.455 -0.191 -1.593 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 -6.665 -1.029 9.094 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 19.338 -11.338 27.593 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 -2.113 3.412 3.072 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 3.700 0.014 -7.681 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 -7.198 14.025 1.011 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 0.407 2.847 -3.153 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 10.829 -0.984 -17.256 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 2.505 11.808 3.689 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 -3.211 -4.583 -0.920 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 2.481 -17.052 -6.822 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 -0.756 -4.065 -4.563 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 -4.305 7.470 -10.227 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 -13.175 4.076 -6.705 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 -14.405 -1.995 -6.560 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 5.549 2.581 0.334 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 16.934 17.732 0.750 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 1.840 0.729 2.366 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 -1.843 4.517 5.990 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 5.011 -3.189 10.456 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 -5.202 -0.637 10.800 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 1.461 -0.473 -2.123 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 23.196 -12.069 -23.293 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 -5.137 -4.168 0.615 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 -1.828 2.101 3.158 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 0.821 -6.837 14.538 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 -14.896 26.975 -34.876 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 -2.041 0.760 -3.848 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 -1.765 3.310 -1.283 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 -7.666 2.316 -9.035 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 1.778 5.349 -4.596 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 17.351 13.971 -9.188 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 12.054 5.873 -4.421 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 -1.683 -5.318 10.510 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 -2.200 -3.742 10.528 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 -7.416 0.100 4.570 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 -0.554 3.808 8.275 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 0.978 -3.237 11.455 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 3.714 3.730 6.752 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 0.841 2.149 9.128 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 7.636 -7.358 -5.204 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 9.431 -11.875 1.323 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 1.534 -4.621 1.956 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 8.839 9.953 -9.831 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 -2.664 9.008 7.870 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 -0.255 2.731 -1.416 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 -3.723 -0.141 1.537 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 9.166 7.261 -6.568 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 0.810 2.609 -3.491 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 19.418 -6.511 8.558 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 1.642 23.674 0.772 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 2.798 -2.878 -4.045 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 -1.292 5.383 -3.422 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 -2.433 -8.271 0.061 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 3.587 2.347 -2.063 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 -13.542 2.802 -34.360 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 14.359 15.790 -7.808 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 -6.071 -1.248 -0.001 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 14.451 -5.528 15.611 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 -20.138 9.239 7.037 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 5.458 -4.123 4.260 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 -7.300 13.612 28.388 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 0.591 -4.596 13.406 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 -0.603 -6.006 -4.387 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 6.463 -3.542 8.358 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 9.578 -3.247 13.686 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 2.084 -1.819 2.106 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 7.587 4.265 12.757 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 -6.447 -12.391 -0.326 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 4.355 0.667 6.129 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 4.244 7.737 28.682 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 -13.587 20.272 11.493 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 -6.303 1.312 1.706 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 -8.186 -8.140 13.915 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 -25.667 1.258 19.502 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 -2.197 0.271 -0.423 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 -5.146 -1.867 4.371 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 12.292 -1.721 -18.663 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 -5.076 -3.281 4.406 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 -18.813 3.056 7.603 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 -7.801 -4.628 3.115 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 2.232 5.767 7.953 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 2.695 11.384 3.713 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 6.723 10.553 12.326 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 2.508 -1.038 2.414 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 8.675 -13.723 12.952 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 12.245 12.646 -5.281 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 0.394 3.475 -0.491 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 -0.525 -11.120 -13.421 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 -5.206 -2.980 12.166 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 -2.204 -4.537 -0.025 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 5.396 -8.829 -2.820 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 -21.714 -11.295 4.231 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 -0.659 0.852 -6.661 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 -9.863 -20.765 16.922 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 29.967 15.264 7.439 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 -0.802 0.068 -3.339 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 0.799 5.207 0.139 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 -18.925 18.565 -6.137 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 -2.029 6.017 -2.062 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 20.093 1.797 -1.168 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 6.218 7.366 4.185 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 -2.201 -0.387 0.500 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 0.671 7.000 4.998 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 8.079 -12.103 -37.762 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 0.036 -4.964 -2.340 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 -5.235 -5.956 2.025 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 3.460 -5.637 -4.587 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 -0.757 -3.285 -2.600 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 -5.218 -5.109 -2.709 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 0.355 3.019 4.899 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 3.251 3.742 -0.786 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 4.647 -4.429 9.667 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 13.552 -7.383 1.130 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 0.270 -0.836 6.027 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 0.694 -11.038 -0.262 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 0.623 -12.585 22.570 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 3.396 7.196 -2.931 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 9.129 11.779 -1.892 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 1.418 1.067 -4.195 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 4.267 -4.606 3.367 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 5.570 -7.454 -18.230 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 -13.332 3.557 13.887 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 4.047 -0.512 2.190 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 16.425 -5.250 1.948 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 8.959 -6.177 12.552 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 -1.496 0.318 -4.244 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 2.205 7.732 -2.225 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 -16.046 0.702 2.516 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 -5.034 -3.323 5.466 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 -5.836 6.383 -1.265 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 -3.602 -0.214 1.110 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 -4.777 -5.607 3.750 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 -4.787 1.568 4.469 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 -16.330 16.417 -2.292 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 0.998 -1.474 5.847 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 -10.480 17.409 -8.032 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 4.328 1.394 0.983 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 -3.359 1.159 0.964 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 17.884 8.283 0.082 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 3.284 -6.749 -5.961 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 3.566 -0.041 -1.135 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 -2.103 6.801 2.596 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 -15.228 19.651 15.846 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 -4.882 2.156 -2.727 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 7.126 9.116 5.883 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 -5.950 -9.606 -9.434 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 -1.686 -0.896 6.605 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 -15.941 9.032 -3.414 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 12.078 -10.063 12.470 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 -8.350 7.867 -1.884 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 -18.726 6.926 23.206 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 -3.305 11.346 -15.896 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 -7.127 0.736 10.959 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 -18.148 -0.391 15.735 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 0.104 9.796 11.262 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 -1.367 3.029 -1.861 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 -3.425 13.251 -15.785 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 -0.194 6.437 7.190 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 -0.485 1.509 -3.340 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 7.537 5.803 -13.664 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 1.147 -0.197 5.908 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 -4.369 5.438 2.646 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 -15.407 -6.780 41.661 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 -14.026 2.355 12.111 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 3.604 -0.279 -4.503 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 3.225 -3.166 -6.942 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 3.406 3.077 -6.659 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 -5.260 0.210 -0.564 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 1.462 -22.537 -22.555 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 -0.477 4.810 -12.089 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 -7.124 -4.035 0.713 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 -0.465 -5.382 9.654 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 -3.590 -11.454 1.899 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 6.524 -2.151 2.866 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 14.386 7.159 -0.068 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 -11.095 -8.128 -9.617 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 -1.136 -6.426 0.148 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 23.717 -1.616 1.116 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 -16.470 -6.824 -15.649 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 -0.800 2.492 3.599 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 -9.578 -15.646 -7.711 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 -2.040 9.639 4.124 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 0.068 -1.630 3.555 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 -4.339 10.405 1.868 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 4.380 4.884 -0.413 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 -1.328 -3.766 -0.285 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 -10.834 -12.111 -3.147 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 -3.290 -2.786 -2.565 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 -4.404 5.175 1.858 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 -15.362 -2.417 -5.467 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 9.648 -4.099 -7.415 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 5.579 -0.909 -1.574 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 1.901 -3.737 5.971 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 25.114 0.096 11.936 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 4.081 -11.176 -7.569 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 0.675 -13.091 -6.363 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 16.296 -6.366 -18.615 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 -2.827 0.424 -4.165 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 -2.682 -25.770 -0.261 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 3.181 -24.488 1.863 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 -5.506 -2.842 -2.091 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 3.723 -3.843 16.547 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 -1.717 -22.236 15.630 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 -5.219 -5.090 3.220 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 -2.425 -4.832 1.890 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 -9.822 4.248 8.923 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 9.338 -3.712 -0.635 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 0.036 -2.030 -8.662 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 11.627 1.675 -0.073 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 -8.167 4.846 8.268 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 -0.170 3.978 3.814 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 -16.207 7.671 4.117 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 -1.614 -3.729 -1.916 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 4.589 -19.681 9.228 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 -2.868 14.621 -3.542 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 6.155 -4.581 -1.270 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 8.928 -4.928 0.357 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 2.343 9.970 8.304 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 1.405 4.194 2.074 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 2.953 -14.351 18.076 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 1.172 19.146 -16.487 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 2.565 -1.110 0.361 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 -10.144 -2.816 10.062 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 1.168 -2.232 -1.638 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 8.774 -1.942 -0.181 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 14.891 4.862 10.180 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 13.604 3.768 1.829 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 4.070 2.221 -5.808 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 10.484 5.809 7.075 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 5.424 -3.636 -12.672 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 -1.829 -5.714 6.318 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 -1.512 -14.042 8.190 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 8.825 -3.829 5.583 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 -1.709 0.052 -1.076 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 1.837 -0.336 -11.244 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 -1.868 -1.516 7.212 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 -0.621 3.119 0.718 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 11.866 0.405 -21.720 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 6.790 -20.814 1.385 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 -0.272 -1.718 0.891 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 8.458 17.484 -1.817 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 -9.475 -12.093 -0.096 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 -0.510 -0.454 0.765 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 4.161 -11.012 1.788 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 0.432 -11.950 -13.165 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 -1.753 2.661 1.364 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 -7.291 14.819 -6.371 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 -16.826 -2.757 10.112 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 4.962 -5.803 -4.444 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 12.637 -24.751 -6.825 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 6.358 2.306 -0.664 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 3.231 -3.518 2.057 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 2.728 -3.983 -2.965 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 3.634 -3.422 9.468 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 1.659 5.205 -6.455 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 -0.420 0.750 20.233 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 1.250 4.432 5.709 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 -4.082 2.844 -9.282 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 -15.536 -7.271 -28.262 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 2.170 7.498 1.692 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 9.941 -0.099 3.975 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 -1.518 -14.933 -4.478 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 16.106 9.546 -4.065 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 3.221 -6.808 -4.605 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 6.968 1.033 3.250 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 5.236 16.899 0.696 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 -4.688 3.108 -3.743 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 1.589 5.106 5.464 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 -7.640 8.889 -9.574 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 -2.707 -0.139 -1.665 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 -9.555 -24.599 11.761 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 7.436 -5.330 5.949 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 -1.812 2.441 -4.006 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 1.751 0.034 19.143 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 9.019 17.714 -3.937 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 0.665 -1.451 4.307 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 5.330 -8.681 7.629 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 -1.017 8.437 8.085 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 0.414 0.466 0.509 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 -1.436 -2.697 -16.408 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 3.345 -18.019 15.175 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 1.861 0.541 -2.603 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 -0.571 -0.724 -1.645 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 11.166 4.593 -3.432 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 -0.959 -2.222 0.849 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 -18.661 2.461 -5.149 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 -4.405 -0.107 0.397 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 -6.299 6.083 -3.874 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 -8.306 0.907 -6.032 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 -13.210 -4.919 -13.034 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 2.865 6.836 -0.550 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 -0.538 11.969 2.633 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 -0.755 19.707 18.600 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 0.762 -3.727 -1.476 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 -14.402 -35.443 -7.653 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 -13.442 -3.370 -8.643 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 0.671 6.901 -0.662 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 10.897 4.192 8.862 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 -10.382 13.200 14.723 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 -3.266 -1.020 0.035 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 -1.564 10.745 -10.091 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 -18.900 1.016 10.821 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 1.294 -2.441 4.415 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 -1.255 -5.245 0.682 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 -5.991 -9.780 6.199 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 -6.409 -5.105 2.279 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 -8.444 8.885 -27.185 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 7.424 -39.047 -6.785 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 1.344 3.772 -4.715 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 -0.583 4.453 0.821 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 -3.778 12.010 -14.356 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 -6.152 -14.049 -3.726 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 -8.515 -14.389 0.903 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 -15.490 -6.334 -0.780 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 -3.199 -5.066 -7.556 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 -6.381 12.989 -6.069 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 -13.735 7.364 8.160 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 7.889 -1.981 8.270 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 9.089 13.113 1.525 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 -2.836 -10.909 0.740 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 5.833 -1.501 -6.203 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 4.266 -14.101 11.146 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 3.576 -18.072 25.184 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 1.719 -1.595 4.943 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 1.012 -3.604 5.117 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 -0.964 3.628 3.378 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 2.972 -4.304 0.763 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 18.558 18.930 -3.219 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 7.050 -7.450 11.330 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 -3.487 3.492 -2.477 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 -0.225 9.707 -5.266 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 -5.861 5.771 4.619 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 4.334 5.079 -2.506 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 -14.372 -4.124 4.203 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 -0.696 -1.608 7.849 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 -0.527 -3.523 1.681 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 -3.616 -3.282 12.881 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 8.417 -23.263 20.290 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 -0.224 -5.247 -0.553 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 0.459 -16.556 -1.552 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 7.110 11.062 -0.448 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 3.884 -0.013 7.366 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 6.383 -13.450 9.225 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 2.852 16.571 13.520 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 -6.407 2.988 -1.190 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 -2.350 13.624 16.347 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 27.849 -7.597 -9.721 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 6.435 9.379 3.980 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 4.902 10.023 4.157 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 -4.271 6.582 -17.336 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 -5.598 0.032 2.948 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 -8.740 -6.546 -0.109 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 -13.544 -17.719 -3.998 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 3.228 6.946 1.384 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 -4.789 6.100 1.281 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 -6.568 1.214 -29.876 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 -3.323 2.513 3.623 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 2.659 9.234 10.931 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 -6.919 -12.652 4.471 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 1.467 -3.039 -3.114 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 21.520 -1.173 11.337 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 -38.538 -11.967 -9.780 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 -8.671 -3.792 -0.403 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 -7.504 -6.905 0.163 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 -12.205 -8.421 -1.698 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 0.584 7.806 0.714 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 -29.924 3.459 7.359 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 3.901 -23.160 -0.187 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 3.453 2.309 -8.551 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 -3.823 -3.074 -11.835 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 -21.067 21.177 -12.402 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 -2.419 8.970 -4.856 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 2.572 9.964 -6.938 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 -19.601 10.641 3.581 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 -2.683 -0.544 9.653 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 0.750 -5.697 10.906 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 2.194 0.158 5.848 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 5.697 1.016 3.690 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 -9.649 23.388 -5.611 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 0.124 11.670 21.367 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 5.862 2.684 0.628 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 -7.506 -9.144 15.515 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 -1.770 7.832 -9.612 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 3.801 0.865 6.478 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 0.312 2.432 -8.467 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 14.973 0.213 18.430 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 0.306 0.115 -2.212 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 -17.066 12.255 10.583 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 4.614 9.390 15.155 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 1.122 5.085 5.570 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 -0.419 -13.606 12.985 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 -18.167 14.946 -16.612 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 -2.052 2.453 -2.218 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 -19.725 9.042 -28.691 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 5.447 -0.294 37.835 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 3.945 -4.281 -0.777 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 3.536 5.303 -14.019 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 1.320 1.598 -4.851 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 -3.797 -0.399 8.746 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 -4.836 -1.587 12.152 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 -5.155 1.952 -6.642 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 1.969 3.594 4.056 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 -4.865 -10.597 -23.274 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 -0.039 -26.622 22.484 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 5.749 -0.251 1.365 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 10.000 -16.343 20.560 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 -7.576 -7.314 -4.543 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 -4.853 -9.369 0.644 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 2.382 -11.791 10.538 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 -9.090 -9.319 -3.627 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 -0.059 3.525 1.685 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 -4.955 -5.077 1.511 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 15.118 8.031 -4.962 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 -0.316 5.523 1.429 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 -4.448 3.944 7.205 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 8.644 31.855 -35.331 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 -0.479 1.181 1.573 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 18.616 -25.568 -0.652 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 1.984 17.797 -23.716 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 -0.219 0.740 2.897 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 -8.937 -3.545 -13.408 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 -1.936 7.665 -3.100 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 -4.356 2.114 -7.339 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 -3.181 -19.071 -15.048 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 7.426 14.366 2.908 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 -3.443 2.421 -4.743 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 -13.282 10.470 -0.210 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 -15.892 8.846 10.566 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 -0.077 4.009 -0.750 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 -9.264 6.893 7.359 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 -10.273 5.705 6.034 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 -1.869 0.569 -0.933 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 -18.407 11.045 -14.844 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 14.572 -10.405 10.556 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 3.181 8.062 2.796 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 7.452 17.178 -24.380 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 3.850 7.437 -0.047 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 1.006 -1.381 -3.268 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 6.796 -7.266 -2.298 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 5.732 1.751 8.993 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 3.265 -2.202 -2.467 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 -9.809 19.424 -13.890 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 -6.635 4.813 -7.271 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 8.100 -1.357 0.937 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 3.499 -2.102 16.701 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 7.294 16.083 11.314 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 -0.308 3.747 -2.426 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 -1.214 -10.541 -4.968 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 -7.010 21.401 -1.404 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 3.021 -0.356 5.479 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 17.232 1.854 31.140 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 6.918 -5.575 -0.837 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 -6.919 -1.840 -1.570 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 6.842 -1.305 3.247 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 -6.220 0.296 6.192 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 0.633 -2.814 1.171 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 7.299 -7.942 6.013 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 6.503 -2.242 -4.199 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 -4.616 1.129 6.215 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 8.378 5.591 -4.116 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 7.721 4.838 -3.923 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 4.127 3.403 -6.708 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 2.753 1.633 -14.628 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 11.982 -4.013 -4.528 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 6.795 0.744 -1.774 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 5.119 11.656 -3.083 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 7.021 -6.438 0.638 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 0.520 -7.311 3.399 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 10.583 12.531 5.692 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 -18.825 1.816 2.926 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 2.256 4.462 6.996 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 -5.408 -6.485 9.430 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 -5.481 11.335 3.826 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 -2.788 4.114 -6.933 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 -13.161 -0.097 7.183 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 -19.232 8.067 14.160 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 -6.891 1.688 0.104 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 -1.042 -17.736 -4.340 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 -19.985 5.588 0.927 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 4.788 0.096 4.258 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 4.161 -0.524 12.045 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 -1.585 -9.447 -8.310 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 2.148 -0.858 -2.011 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 -1.920 -1.367 -0.186 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 -0.514 -24.095 6.790 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 6.681 3.539 -3.900 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 -4.380 8.289 4.822 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 -8.216 -3.270 6.265 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 -0.308 -4.092 6.143 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 0.530 5.399 -2.796 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 -0.733 -10.881 6.874 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 -0.103 -2.027 4.629 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 5.998 9.228 19.610 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 9.055 -5.462 7.149 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 3.645 -4.283 2.113 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 -2.121 -24.968 7.266 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 -12.539 19.878 -20.908 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 -3.647 -2.077 -9.531 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 -9.519 -1.425 -21.483 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 -2.223 10.391 14.172 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 -11.495 3.347 2.530 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 12.006 -12.232 10.109 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 -25.016 7.884 -4.368 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 -1.691 -1.748 2.993 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 -3.236 -0.444 2.770 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 2.080 -7.001 -2.300 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 6.746 1.795 5.097 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 3.054 5.843 8.148 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 2.471 -0.191 1.136 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 5.575 7.134 -0.524 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 -17.650 13.723 0.734 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 -11.635 19.041 -4.981 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 -5.035 6.460 1.838 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 -12.324 17.942 9.325 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 -1.594 11.050 -8.851 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 -7.999 2.857 -4.432 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 -0.489 3.212 -11.087 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 2.302 -2.180 -3.926 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 3.749 0.537 5.228 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 11.699 -11.756 -6.805 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 1.624 3.115 18.068 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 3.247 -0.530 -3.197 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 -5.149 43.689 -14.285 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 -5.441 -15.888 -34.514 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 -0.724 5.824 -0.571 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 2.743 6.373 -2.811 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 4.377 -18.473 -10.020 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 2.664 -2.892 3.634 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 6.435 10.513 -3.934 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 -1.591 -3.411 -2.861 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 -2.725 -3.341 4.171 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 19.631 20.346 -6.343 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 -2.726 0.660 3.579 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 4.971 3.432 0.570 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 3.862 -7.205 -27.771 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 11.873 -3.714 -11.918 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 1.619 0.348 -1.650 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 -3.847 -12.691 16.656 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 20.407 14.244 26.128 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 0.234 0.031 -1.631 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 -7.569 -1.114 2.120 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 -1.051 -10.544 -3.303 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 0.266 7.281 -0.886 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 6.196 -10.169 -9.604 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 0.880 17.176 4.168 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 2.976 -0.779 3.842 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 -20.190 -33.039 -6.712 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 -24.271 -36.931 -1.021 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 1.021 4.526 0.578 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 -8.218 6.539 -1.186 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 -0.236 8.675 -14.736 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 0.644 3.065 3.516 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 -5.755 13.851 11.765 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 -9.338 7.322 12.738 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 -1.238 -5.122 0.389 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 10.959 -11.805 -12.926 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 8.907 5.118 21.915 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 0.258 0.226 -0.519 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 -3.912 -5.420 1.325 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 1.688 -30.269 -6.582 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 -3.739 1.334 2.212 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 0.904 -7.926 -0.321 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 0.229 -6.386 14.860 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 -3.984 -1.936 -3.570 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 -4.705 25.135 0.706 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 -26.688 -9.797 1.329 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 2.786 0.077 -5.476 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 10.803 44.631 -4.533 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 -36.755 5.915 30.602 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 -5.372 0.192 -8.540 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 15.776 -5.171 9.167 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 0.214 -4.135 24.160 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 3.974 4.580 2.574 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 17.612 -1.196 -20.334 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 18.998 7.119 -2.273 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 2.233 -3.053 1.252 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 -16.649 -12.160 -18.676 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 -10.545 -2.093 7.833 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 0.111 0.862 5.404 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 -15.049 4.724 11.456 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 -14.364 -2.567 7.973 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 5.753 -4.685 -0.941 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 6.395 -6.212 -1.572 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 -6.187 -17.269 4.721 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 -3.916 -0.726 -3.992 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 -0.370 -13.147 -24.728 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 -7.949 9.867 14.393 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 3.824 -2.781 -6.185 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 -10.346 2.362 10.698 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 19.443 -0.381 4.260 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 -2.453 -3.556 -4.665 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 -2.497 0.847 -1.896 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 -2.229 8.448 1.863 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 3.909 4.915 -1.027 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 10.435 8.969 4.958 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 2.833 1.654 -7.440 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 4.805 1.704 -2.813 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 7.458 1.266 -8.728 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 1.573 -4.788 20.445 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 -4.197 5.490 -1.805 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 -3.700 6.979 -4.320 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 -5.795 2.974 1.454 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 -3.763 -1.151 -5.713 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 11.695 3.156 4.315 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 -6.211 -5.893 1.546 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 1.108 0.938 -0.435 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 22.244 -10.442 16.358 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 0.219 2.978 1.853 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 -1.430 -5.467 1.034 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 16.801 5.262 9.096 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 -21.853 -3.676 12.839 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 -0.543 1.409 -2.793 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 1.696 -2.236 3.995 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 -11.229 3.659 0.572 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 -4.775 1.327 4.878 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 13.611 7.895 12.143 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 -36.442 11.722 4.345 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 -4.888 -2.099 -1.284 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 3.314 1.249 -8.684 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 -13.751 5.137 -2.218 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 -3.537 -0.831 1.732 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 -11.612 4.145 5.733 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 -10.151 -6.805 -5.289 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 -1.371 -4.649 -0.753 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 -6.671 -11.429 9.467 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 5.058 1.006 -3.721 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 -0.332 1.706 -6.962 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 -6.656 -0.509 -6.832 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 6.373 0.673 24.726 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 -0.398 9.927 2.562 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 12.854 8.345 1.506 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 -2.202 16.348 1.524 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 -0.309 -3.632 0.008 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 0.735 -18.137 5.681 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 2.345 -10.025 -1.365 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 -3.157 0.703 3.233 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 -10.021 19.129 -2.884 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 19.226 -6.061 -11.759 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 -3.035 2.758 1.242 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 -4.188 -12.051 2.358 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 -4.881 6.642 -2.539 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 -2.466 2.695 4.040 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 7.130 3.489 -0.872 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 -18.717 4.339 6.157 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 -0.819 3.464 -4.691 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 16.909 -2.024 -13.718 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 1.763 -20.966 -20.481 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 -4.868 2.217 -0.341 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 -23.642 11.123 -8.276 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 -10.442 4.443 -4.657 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 0.268 -1.324 -1.719 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 5.716 14.343 4.752 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 -2.259 -5.412 -9.000 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 2.524 -0.494 0.248 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 13.331 8.973 -12.893 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 -5.172 -6.155 14.124 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 -3.462 -1.008 -0.288 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 5.170 -13.908 7.607 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 6.449 -21.333 -3.825 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 0.645 -3.714 2.042 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 14.074 -4.347 3.975 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 -28.991 33.193 -16.459 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 -0.119 0.799 -4.766 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 -1.254 5.911 -6.173 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 -9.081 -1.908 -19.169 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 3.059 -4.782 0.156 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 11.924 -23.018 -3.480 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 -0.693 -10.989 -18.130 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 2.768 -0.476 -5.577 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 12.538 -19.584 2.482 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 1.393 -17.037 3.389 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 -1.831 3.093 -1.033 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 -3.340 -3.907 7.466 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 9.926 10.068 17.625 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 -3.305 0.310 -2.806 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 -1.269 -6.582 5.929 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 -7.111 5.764 -6.408 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 4.058 1.043 -0.986 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 5.598 -20.058 2.158 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 12.117 5.791 -18.257 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 -0.215 -1.351 -5.892 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 2.033 -0.463 2.103 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 -2.799 18.612 17.252 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 -1.060 -4.474 -8.742 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 -1.180 -5.327 -15.398 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 -3.391 -11.748 -8.621 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 2.899 -3.234 2.955 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 4.617 -6.678 4.741 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 -2.992 -2.842 -2.160 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 -1.021 1.124 -3.559 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 -7.776 -6.845 7.156 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 14.124 -2.314 -1.779 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 -3.383 -3.987 -0.423 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 -9.936 -21.582 3.614 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 8.876 -3.481 -13.197 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 0.940 -1.719 5.765 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 -6.441 -16.915 8.571 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 18.060 -1.852 -4.248 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 -4.124 -0.296 5.046 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 -12.704 12.554 12.843 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 -5.703 4.926 7.678 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 2.371 6.470 5.055 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 13.529 -3.767 -4.395 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 -7.885 11.693 -1.709 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 -5.964 -5.228 4.243 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 11.558 -18.378 -3.373 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 -7.259 -4.343 -5.532 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 -2.911 -0.672 -5.792 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 -26.352 17.218 -9.703 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 -5.369 5.527 2.867 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 -0.015 1.953 3.527 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 7.225 10.783 27.160 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 20.272 -13.779 -3.201 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 2.950 0.771 -0.919 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 12.400 -21.207 -12.544 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 -2.014 -6.227 -9.653 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 4.431 -0.984 -5.228 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 -10.197 6.567 7.776 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 19.945 -17.542 -16.629 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 -3.843 2.155 -1.336 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 4.908 6.797 5.102 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 -11.052 -6.166 -3.019 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 -2.912 7.599 -0.108 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 1.914 0.788 2.574 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 -15.424 9.743 3.089 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 5.634 -0.627 -1.975 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 -4.008 8.528 10.565 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 6.244 -13.471 -1.602 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 4.422 -2.995 0.156 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 -0.557 3.386 -9.125 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 12.337 17.654 -24.645 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 -4.034 5.856 3.633 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 -17.306 2.117 1.754 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 -21.907 3.191 4.156 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 -3.105 -0.367 -1.687 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 -13.333 -24.010 -11.332 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 -12.800 -7.221 17.407 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 -6.529 -3.759 1.039 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 -5.583 -4.874 9.729 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 -7.643 -6.379 10.475 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 3.565 5.215 2.200 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 -11.765 0.346 0.735 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 7.431 -11.873 18.756 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 7.645 -3.519 3.244 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 -19.837 -19.601 -23.687 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 7.290 4.682 -8.771 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 5.162 -6.645 -1.501 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 -3.629 -22.848 -28.982 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 10.767 8.779 -9.720 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 -4.409 5.316 -2.003 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 -34.105 -9.920 -5.651 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 1.298 -3.895 28.502 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 -1.996 -3.654 -4.720 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 9.520 -12.768 -0.916 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 -1.651 4.903 -7.998 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 3.292 -4.271 2.608 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 20.089 -8.305 7.178 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 -4.722 8.000 25.121 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 -3.160 -6.751 1.403 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 -5.239 -3.375 -5.407 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 2.005 -3.612 3.383 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 -1.205 -5.049 -1.850 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 3.637 -6.556 -14.472 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 18.048 25.622 1.359 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 -2.894 -5.507 1.819 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 -5.144 -7.712 -0.489 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 -12.699 1.728 -1.095 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 -3.306 1.401 -1.193 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 -12.228 33.249 -19.859 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 -19.612 -19.686 1.474 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 1.287 -2.055 -3.251 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 2.683 -4.317 -2.074 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 -1.157 -1.841 -1.366 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 -4.562 2.706 0.698 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 10.443 4.857 9.886 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 -25.439 -18.133 8.456 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 -1.046 -0.836 -3.080 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 24.753 -2.545 -20.108 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 19.244 -11.173 -19.654 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 4.283 -2.200 3.424 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 18.840 -4.009 0.334 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 -22.402 4.193 -2.080 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 -2.219 4.352 5.790 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 -3.307 -11.440 -6.070 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 -10.904 17.089 9.507 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 -0.112 -4.438 3.022 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 -8.791 11.563 13.218 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 -12.146 4.272 -19.473 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 0.749 1.534 4.695 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 -6.546 4.954 11.692 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 5.156 8.367 2.633 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 2.552 5.470 -5.929 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 20.555 0.493 8.460 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 23.055 19.341 -20.841 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 6.910 -1.319 -2.404 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 -8.181 6.716 -9.268 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 -4.758 -4.988 -20.899 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 4.294 0.386 13.089 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 -2.262 -14.425 20.095 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 -7.340 -3.192 -2.496 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 6.714 -2.872 -2.369 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 -25.977 15.326 12.825 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 -11.695 7.421 5.916 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 -1.810 3.931 -1.252 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 15.610 3.696 -3.009 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 -1.122 27.164 -15.619 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 1.216 -1.678 5.131 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 -0.003 0.356 -4.264 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 -2.318 -9.475 7.142 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 -1.565 0.870 6.519 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 -13.002 -6.032 6.307 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 22.053 -8.815 13.140 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 1.711 4.828 -4.731 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 -14.904 16.519 2.924 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 20.313 -3.105 -15.402 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 -3.117 0.603 3.943 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 5.126 -0.849 2.182 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 -6.727 2.288 4.437 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 -1.988 5.725 9.582 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 20.577 -4.848 -13.916 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 10.958 1.646 -11.054 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 -5.651 0.185 1.885 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 -9.318 2.037 -1.546 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 -21.938 -19.927 10.350 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 -3.555 0.451 1.568 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 -11.544 21.804 -8.040 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 12.380 3.685 -0.902 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 -3.134 2.894 3.360 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 1.321 12.990 27.958 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 41.735 -11.408 -27.476 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 -3.544 -0.694 4.233 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 -16.610 11.896 -6.897 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 -2.007 15.557 -5.481 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 -0.120 0.424 4.113 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 0.824 -16.919 -21.609 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 3.343 -4.944 3.352 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 2.398 1.252 0.311 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 -4.846 7.904 13.354 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 9.443 12.148 1.939 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 5.079 -0.102 3.591 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 4.357 1.733 29.242 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 0.296 18.874 -30.120 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 -3.737 0.565 -2.606 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 -5.002 2.419 4.688 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 0.820 1.079 -5.592 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 4.232 2.712 3.217 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 0.906 4.724 3.020 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 7.632 -3.231 -16.244 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 -1.284 1.185 4.475 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 15.678 -7.282 11.203 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 -12.473 17.825 -6.693 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 -5.020 7.738 1.468 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 1.535 20.356 9.876 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 4.728 15.181 2.639 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 6.758 -1.272 1.852 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 7.337 -1.488 7.492 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 -0.035 -1.649 0.568 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 3.999 -4.099 -5.030 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 6.921 4.682 -13.580 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 10.864 9.697 -5.138 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 3.648 -5.334 -5.146 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 16.408 2.172 7.352 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 3.388 6.547 -2.599 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 0.266 10.473 3.874 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 12.903 -0.194 5.686 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 0.861 20.627 7.214 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 6.764 -0.105 4.832 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 6.523 2.099 2.327 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 8.614 -2.847 3.751 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 1.942 -1.249 -1.703 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 4.327 7.810 -2.044 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 -3.222 -2.329 0.106 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 -0.651 1.662 1.369 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 4.080 36.961 3.506 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 -26.937 6.882 -0.273 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 -2.982 -5.086 -1.573 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 -9.387 -6.319 -7.460 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 -7.423 -13.215 0.553 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 6.945 -4.377 2.267 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 -3.096 -2.640 -14.115 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 16.510 -9.716 15.405 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 1.007 3.327 2.727 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 -0.799 -13.868 7.577 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 11.010 4.246 -1.338 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 2.548 3.141 -7.757 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 13.169 -2.699 -4.510 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 4.682 -0.364 -8.770 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -5.603 -0.882 4.911 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 -20.235 10.065 -9.255 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 16.069 2.559 -5.767 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 -0.383 3.497 2.216 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 12.645 -11.667 -8.909 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 11.496 -11.601 5.814 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 -1.039 9.898 -2.141 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 -2.975 14.049 -6.146 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 -3.056 11.672 4.337 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 -0.330 -5.160 -6.123 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 5.476 -29.062 -3.732 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 -0.440 -6.767 0.874 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 -3.103 -0.297 4.054 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 -9.622 2.925 13.081 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 7.944 7.774 26.007 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 2.907 2.891 -6.313 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 -2.793 -1.531 28.491 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 9.162 -0.664 0.509 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 -3.044 1.074 -4.389 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 -18.832 23.507 -0.558 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 -25.629 9.283 -12.513 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 2.017 -1.552 0.777 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 -16.447 -15.684 -19.586 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 16.932 15.290 10.351 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 2.234 -2.605 -4.474 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 35.366 -31.930 -11.196 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 -9.176 -15.889 17.939 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 4.590 -5.446 2.471 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 -8.388 4.047 22.545 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 -10.044 -10.188 -15.739 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 4.374 -5.839 -1.014 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 -0.238 -22.591 -1.266 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 -3.685 -0.766 -6.933 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 -6.456 -4.386 -1.679 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 11.671 -14.833 2.213 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 -1.200 10.113 -16.868 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 -4.084 -0.350 -3.030 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 -11.401 7.860 -19.285 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 -13.849 -34.603 36.314 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 1.786 4.279 -0.611 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 20.457 -5.238 2.027 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 -1.697 -1.946 7.740 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 0.034 2.087 -3.904 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 -4.889 6.899 -2.866 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 8.065 -16.525 -3.042 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 -7.542 -1.311 -0.421 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 -10.949 -13.235 -4.446 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 -6.102 5.806 1.448 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 -1.282 2.177 0.499 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 32.063 1.105 3.327 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 -21.991 1.128 -2.062 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 -5.408 3.154 -4.341 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 -10.359 -13.096 -11.238 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 -2.336 -8.348 -15.294 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 2.729 -1.869 3.392 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 -6.281 -13.319 1.333 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 1.287 -15.402 3.125 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 0.300 -7.045 4.330 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 -8.351 -21.266 -5.894 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 7.328 13.875 23.118 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 1.291 -0.215 2.131 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 23.352 -12.991 16.052 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 -17.747 -3.109 7.199 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 -4.502 -6.026 2.549 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 -14.491 2.451 -9.692 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 5.279 -5.287 -3.919 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 -2.196 2.242 4.009 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 -4.683 3.316 -3.719 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 -5.833 -21.463 1.939 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 4.523 0.465 -1.109 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 -9.674 0.995 -13.709 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 -3.263 -1.574 -5.407 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 -0.367 -1.631 0.529 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 -2.745 -1.846 2.599 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 6.428 -8.361 1.185 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 -1.598 1.576 -6.589 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 15.937 13.398 -10.977 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 -10.797 -17.600 -2.528 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 2.629 -7.268 -1.609 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 26.506 -8.541 -5.442 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 -1.108 -6.113 2.302 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 5.687 1.024 -1.796 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 14.821 -0.679 1.925 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 26.066 21.365 -1.468 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 -2.271 -8.092 -6.187 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 1.889 -13.242 -5.054 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 7.555 0.375 -7.116 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 -2.440 -6.545 -1.718 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 -3.611 -13.576 26.337 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 -2.633 -3.561 -8.030 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 -2.863 -1.326 0.596 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 -2.168 -30.846 14.352 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 -10.211 -0.502 -9.379 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 -2.832 5.511 -1.831 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 6.171 3.736 3.214 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 0.761 8.244 3.615 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 1.852 2.436 10.965 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 12.307 23.181 0.175 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 5.476 3.085 6.075 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 -2.167 0.901 5.424 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 7.974 11.870 5.944 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 -4.900 -0.954 5.540 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 0.587 2.951 -3.763 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 -6.807 7.588 9.772 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 -4.925 -22.631 3.168 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 -1.763 2.784 -0.200 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 -1.369 4.657 -5.631 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 4.202 1.495 -4.314 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 4.496 -4.417 4.302 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 -8.701 1.718 -4.608 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 16.526 7.997 5.752 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 -6.407 5.430 0.833 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 -2.978 4.601 -5.335 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 -7.324 10.066 -3.433 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 3.295 -2.577 4.310 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 1.275 0.204 -5.706 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 6.677 7.169 8.979 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 2.671 2.416 -4.344 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 19.973 -5.627 -16.292 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 -8.993 8.147 4.629 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 -3.061 8.713 7.529 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 -15.706 -13.965 -1.657 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 -8.943 -4.990 1.789 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 2.438 -2.614 1.303 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 28.201 9.191 -4.286 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 1.069 -14.990 -29.809 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 0.918 -1.874 1.060 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 0.090 13.532 -9.661 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 1.482 6.698 -6.694 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 -2.363 -4.151 -1.409 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 13.671 18.661 19.029 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 -2.498 -0.186 -3.487 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 3.284 4.398 4.683 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 9.140 0.066 16.859 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 7.476 5.374 25.317 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 -1.907 5.450 4.372 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 16.337 3.241 -4.451 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 -3.719 6.782 4.155 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 -1.010 1.546 -1.022 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 -2.873 -4.046 8.482 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 5.545 17.394 13.390 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 -1.289 7.425 -3.290 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 -7.849 5.045 -3.369 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 0.376 -1.708 15.979 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 -0.079 -2.631 7.731 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 9.719 5.328 9.319 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 1.253 -1.946 9.183 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 -4.190 0.045 5.247 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 -1.067 -8.646 -12.608 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 14.335 14.227 6.737 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 -3.941 2.373 -0.280 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 -8.034 -5.397 6.595 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 -2.066 1.905 21.917 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 -3.662 -0.838 -1.957 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 -7.501 -3.205 -3.488 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 7.627 -9.309 13.309 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 6.685 -1.169 13.527 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 16.842 1.336 -1.009 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 16.737 -7.166 -2.126 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 -2.301 8.524 -0.148 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 -0.671 1.841 17.591 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 -4.256 10.800 -15.971 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 6.279 -1.099 -1.724 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 1.154 3.597 3.334 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 11.548 -4.159 9.371 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 -0.610 4.155 2.112 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 -7.241 25.713 -7.796 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 -5.695 7.189 11.549 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 9.088 0.192 -7.868 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 7.089 0.691 -2.176 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 17.718 1.498 -15.409 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 -6.141 3.015 2.886 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 -8.920 3.634 4.351 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 -0.537 18.192 -18.949 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 5.090 3.988 3.268 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 9.834 2.810 11.369 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 9.190 -6.849 -5.044 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 -4.409 -3.999 -1.347 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 -6.765 -26.105 -17.526 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 13.217 -8.494 -3.168 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 3.603 -2.206 2.963 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 -9.584 -9.245 -5.466 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 4.655 -17.400 8.389 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 -4.342 -2.811 -2.006 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 -1.518 13.979 -13.135 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 19.600 9.013 3.561 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 11.833 10.354 -0.630 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 10.537 -6.556 11.479 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 4.032 -15.437 -31.525 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 2.983 -1.650 2.274 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 8.210 -13.720 -11.448 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 6.819 -15.292 -3.884 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 -7.024 7.032 2.699 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 0.056 15.407 -17.979 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 -4.032 -5.473 -11.091 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 -1.469 3.479 2.390 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 2.808 8.589 2.272 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 1.503 -3.316 6.265 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 -3.070 4.057 4.860 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 -8.222 13.320 -13.065 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 -3.445 3.456 -11.995 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 -6.142 4.113 -0.246 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 -5.454 -15.067 13.535 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 16.719 -2.042 26.100 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 -3.179 -3.180 -2.516 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 2.792 1.858 0.779 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 -3.629 -4.869 -4.979 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 -0.890 2.729 -3.028 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 5.607 -13.588 -3.508 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 3.394 -3.231 -5.987 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 0.184 0.260 -0.341 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 33.336 15.398 -1.377 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 4.698 -15.102 6.132 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 -2.999 -0.998 5.227 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 -4.460 -20.676 1.893 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 0.281 -8.283 12.876 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 5.038 -1.106 0.743 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 18.775 -11.192 -4.566 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 -2.766 12.837 -7.585 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 -5.839 -3.492 -2.254 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 -0.717 -4.878 -9.272 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 -0.647 -10.039 -8.707 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 1.901 -3.654 -3.012 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 -2.934 6.902 5.900 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 11.345 0.532 8.938 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 -1.676 -2.376 0.678 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 0.394 9.402 3.259 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 14.580 22.057 8.316 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 4.645 -3.164 0.921 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 -12.386 -15.285 5.238 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 -6.111 7.472 25.921 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 -2.274 2.171 2.632 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 -19.888 9.013 -1.481 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 -4.159 -13.777 3.581 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 3.800 -0.151 2.656 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 -0.164 -2.797 26.900 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 2.792 -7.540 3.684 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 4.889 -3.367 -2.338 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 -23.335 -18.903 -4.489 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 9.298 0.969 7.999 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 -2.517 -6.604 3.060 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 -8.312 -6.063 8.678 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 -1.587 -15.482 -0.515 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 2.592 -1.388 -2.033 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 7.605 -2.957 -11.439 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 0.393 -10.232 5.283 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 -2.795 -2.356 -3.440 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 1.636 -10.784 -11.345 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 -4.191 -5.584 13.805 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 3.529 -0.324 -4.980 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 15.461 -4.475 6.552 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 4.746 15.496 -8.336 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 -1.917 -0.246 5.870 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 5.508 6.367 23.307 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 5.874 -15.538 -5.953 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 -3.311 -2.120 2.266 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 -13.765 -41.098 20.992 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 9.508 -4.052 18.384 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 -5.032 -4.693 -5.468 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 2.934 -5.948 0.056 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 9.753 7.085 -23.855 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 7.680 2.488 -0.993 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 0.313 -17.484 -9.226 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 4.003 -1.256 -8.288 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 1.686 0.229 0.381 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 -5.738 -14.814 6.541 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 4.121 -5.821 -11.766 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 0.671 0.027 4.844 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 4.671 16.754 14.353 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 -16.871 -7.307 14.597 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 -3.813 -0.514 -1.044 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 7.231 14.236 3.439 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 4.615 -4.399 13.658 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 1.498 -5.019 3.038 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 -6.090 -6.448 -2.770 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 -6.858 -0.138 -1.115 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 -3.338 7.586 -7.067 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 6.190 -7.979 -29.178 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 2.840 -6.963 -7.374 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 -1.830 -0.353 -1.506 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 5.689 14.302 13.956 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 -8.513 -13.516 5.090 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 -10.361 -5.037 -1.953 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 46.299 3.763 -5.637 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 6.181 9.643 -14.792 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 6.492 -0.837 -2.847 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 0.611 -1.980 17.521 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 18.128 23.716 -25.657 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 -0.548 -4.347 -2.911 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 -14.708 -9.820 8.864 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 -17.553 16.726 -5.452 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 -2.460 -3.765 6.869 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 -1.759 17.017 18.758 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 1.966 -25.535 11.567 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 4.232 2.212 6.638 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 -14.445 0.239 -23.614 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 23.891 21.672 4.620 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 2.232 0.299 -5.024 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 7.448 -33.163 -4.652 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 2.162 11.812 -3.630 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 1.307 -1.269 -6.187 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 -0.180 -13.191 17.598 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 2.238 4.886 -17.095 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 -7.257 5.205 5.063 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 14.000 3.747 -15.409 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 -2.269 -1.482 -2.292 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 -4.818 -0.746 -5.525 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 1.004 -0.624 -11.740 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 22.364 6.927 -2.052 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 4.476 2.554 -2.681 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 10.288 8.889 6.319 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 8.070 14.732 -0.012 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 0.875 1.276 -0.276 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 4.062 -2.679 -15.924 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 17.719 -4.922 12.093 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 -2.971 2.980 1.741 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 -9.628 14.323 2.664 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 7.008 8.747 7.111 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 -0.487 -4.688 -2.259 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 -6.930 -1.391 -13.320 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 -5.764 0.136 -12.698 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 2.135 4.820 -4.999 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 23.770 25.880 -10.734 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 16.684 25.518 -5.304 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 0.953 -6.362 3.611 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 -10.219 -0.927 3.426 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 -2.162 10.804 4.839 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 2.444 -2.510 -0.465 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 -1.090 19.635 9.169 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 3.700 -4.953 -2.007 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 -2.865 -8.908 4.268 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 -2.056 -13.125 -13.518 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 8.475 -5.567 8.038 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 3.120 3.508 1.534 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 -20.587 -20.444 -0.707 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 16.191 -7.108 21.596 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 -1.975 -2.590 -2.444 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 -31.693 -17.815 14.185 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 6.233 -1.863 2.769 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 1.243 7.244 0.181 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 8.807 9.758 -21.781 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 8.634 0.940 -4.361 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 9.707 -4.804 5.666 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 -11.595 4.095 -6.570 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 16.921 15.263 12.496 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 -6.083 -2.397 2.109 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 4.921 -30.971 11.461 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 10.657 1.481 24.672 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 -0.567 -0.529 -3.924 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 -9.370 0.477 -0.945 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 7.027 -5.935 2.538 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 0.941 -0.476 5.317 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 23.142 4.388 -0.244 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 -5.580 12.127 -10.286 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 -1.787 9.595 -0.847 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 15.775 10.430 22.461 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 -9.398 1.483 -16.687 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 -1.760 -8.945 -3.065 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 -7.126 -6.027 -4.356 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 -10.498 -2.438 21.314 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 1.516 -1.083 4.122 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 14.046 -4.171 -2.834 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 6.660 -2.563 -4.684 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 6.834 -1.252 -2.450 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 3.778 -11.266 -25.463 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 6.268 -10.091 -12.897 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 -1.136 -1.911 8.137 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 -4.624 -1.412 -17.925 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 8.464 -5.278 25.054 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 -3.643 4.465 -4.147 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 -5.329 8.270 -0.135 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 -2.568 7.017 -1.902 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 1.632 1.702 3.587 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 1.110 -0.775 5.559 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 -12.529 -8.153 -12.114 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 2.634 -1.409 5.205 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 4.747 26.775 -7.059 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 -4.806 10.968 -0.877 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 -3.200 4.138 4.491 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 0.585 -14.958 -6.209 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 -16.579 -8.762 0.574 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 -5.896 1.065 4.208 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 2.962 10.609 35.286 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 -20.822 6.098 1.722 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 1.824 0.951 -1.551 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 -3.664 -16.495 -13.500 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 -6.610 1.949 -8.990 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 -8.798 -3.177 4.365 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 -1.762 -3.371 4.338 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 -32.436 25.370 26.690 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 2.505 -3.528 -5.820 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 -7.253 -16.116 4.674 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 15.434 -16.852 -10.524 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 -8.810 -5.024 2.694 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 7.424 -0.200 -18.135 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 -11.269 9.003 1.390 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 1.822 -1.765 -3.750 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 19.008 -27.425 -6.355 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 2.248 30.153 4.455 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 -3.724 1.454 -2.236 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 -3.086 19.045 -20.201 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 12.100 13.069 -8.139 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 0.325 9.027 -5.867 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 1.574 9.702 -3.912 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 10.808 13.318 5.190 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 0.784 -0.135 -1.357 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 9.288 7.275 3.791 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 -2.180 -0.094 -21.109 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 -4.188 -1.371 -1.824 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 -8.296 -1.225 -1.434 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 -1.835 -0.959 -2.602 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 -5.815 -7.838 -4.998 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 -15.222 -20.305 -21.915 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 -16.147 -11.894 13.770 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 5.099 -1.702 4.355 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 -2.004 -8.538 10.001 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 6.161 1.927 7.246 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 0.988 -3.850 -0.600 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 7.314 -13.202 -5.360 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 -3.200 -0.322 -0.694 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 -2.427 -6.494 1.006 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 2.701 -15.038 1.626 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 -12.614 -1.708 29.573 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 -5.850 -4.014 -0.876 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 -5.344 15.892 -11.687 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 1.352 3.328 5.827 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 1.417 3.652 -1.856 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 -20.423 6.814 -14.613 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 9.928 18.967 2.481 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 3.025 1.701 0.778 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 -17.028 -10.976 -28.725 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 -22.127 14.588 27.576 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 2.280 1.496 -1.530 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 -1.831 7.333 -3.566 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 28.111 -4.266 -16.520 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 -1.956 -0.482 0.635 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 -33.875 34.324 3.385 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 7.588 5.548 7.337 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 -3.869 -4.007 -11.274 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 3.477 0.163 14.961 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 -13.748 6.937 16.226 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 -1.081 -2.832 6.114 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 -10.361 -23.100 5.787 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 -1.916 0.598 4.298 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 -3.331 -4.200 -2.727 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 2.846 9.193 -26.667 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 -9.262 -13.788 -11.894 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 -3.384 -5.007 -1.681 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 -16.231 27.106 0.981 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 19.966 -16.086 2.638 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 0.545 -5.267 -0.940 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 -6.660 -15.852 -1.048 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 3.811 -12.589 -7.403 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 2.651 -5.535 -2.756 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 2.251 -17.809 1.250 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 7.400 1.485 3.212 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 -4.295 -4.862 2.988 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 -6.461 -29.958 -10.394 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 -5.482 -5.114 4.077 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 -8.991 -0.029 2.457 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 20.559 4.554 -28.071 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 11.172 -6.068 -2.607 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 -0.934 1.520 -8.716 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 13.821 -0.451 -7.678 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 -22.922 19.732 -9.481 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 -3.470 -4.209 3.208 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 22.001 0.078 -6.885 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 7.793 -0.902 -2.304 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 -2.152 1.387 -0.607 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 6.633 -23.539 -1.866 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 -16.529 -0.388 5.131 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 -1.880 5.928 2.346 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 8.028 4.998 -3.749 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 -8.152 -2.738 -0.108 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 4.745 -7.910 -3.560 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 5.267 -31.939 30.205 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 16.589 19.105 -12.777 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 3.931 1.961 -2.611 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 2.904 -21.892 10.238 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 -3.133 17.647 1.321 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 7.712 -1.434 0.635 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 17.162 -3.638 -1.892 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 -7.385 -11.584 4.523 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 3.915 0.700 -0.213 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 -3.033 -12.978 1.014 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 -4.208 7.387 16.020 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 -2.865 0.138 -2.296 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 -6.486 7.070 2.704 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 -9.210 -6.445 -0.297 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 -0.582 -3.048 1.700 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 -8.744 -4.868 2.317 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 23.551 -5.160 -2.156 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 5.618 -5.013 0.667 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 7.619 -9.156 -5.310 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 0.505 -10.517 4.392 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 7.587 -1.163 -1.915 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 4.814 -7.570 7.489 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 5.685 9.956 7.911 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 -0.349 -5.460 2.520 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 4.292 -7.479 -6.470 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 -3.312 -3.118 4.468 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 8.332 6.202 2.157 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 12.395 8.431 -9.604 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 -7.986 0.107 9.935 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 3.742 5.128 4.813 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 -5.961 14.652 12.559 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 2.851 5.321 -13.845 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 3.850 3.322 -0.794 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 -4.378 -1.611 -0.390 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 11.816 2.116 -1.059 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 -4.618 -3.257 1.916 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 -7.793 -13.894 -10.492 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 -12.183 13.663 -2.453 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 -0.014 -7.133 -0.278 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 -16.250 0.077 -8.584 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 3.233 13.119 26.114 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 -3.858 0.077 -4.040 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 4.873 -1.719 -19.291 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 -8.836 1.767 4.809 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 -4.792 -1.894 -2.058 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 -8.309 0.409 21.672 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 -7.940 -0.645 -24.274 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 -0.816 1.275 -5.665 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 -0.228 -14.584 0.284 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 4.776 8.070 5.798 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 -8.167 0.860 -2.791 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 4.926 8.431 -2.548 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 -0.863 -1.931 10.961 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 2.857 1.093 2.329 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 5.560 28.448 17.364 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 -8.765 8.039 -14.159 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 -7.796 -2.423 2.364 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 3.241 -5.112 3.048 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 12.526 -8.644 5.025 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 -0.262 -2.718 0.323 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 -7.683 -2.058 6.027 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 19.324 -24.244 2.397 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 -3.782 -0.702 -3.594 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 15.109 -2.209 -11.716 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 -8.082 -0.850 -2.411 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 2.945 -2.416 -2.573 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 5.793 -13.907 -4.022 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 -7.538 0.636 -7.638 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 -5.029 3.318 1.148 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 -18.576 -4.995 11.600 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 -2.108 3.965 -11.172 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 1.532 -0.725 1.675 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 30.803 12.211 9.118 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 -6.075 -2.485 12.591 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 6.230 -6.199 -4.193 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 -6.225 16.609 1.452 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 2.084 9.027 -23.712 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 4.413 -7.403 -3.507 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 -9.288 18.216 -5.868 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 7.008 5.840 -8.239 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 4.741 -0.343 -1.746 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 4.836 2.826 -9.138 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 13.984 3.182 7.208 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 -1.877 -3.388 2.836 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 3.396 -0.043 1.317 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 17.911 11.043 5.286 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 -6.233 -5.382 -4.135 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 0.915 3.259 5.152 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 -1.361 -1.883 -14.532 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 -0.875 -4.457 5.669 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 15.564 9.953 -19.499 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 -8.397 -30.467 9.678 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 0.481 -3.411 -1.243 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 -27.789 -14.469 12.969 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 1.093 24.601 6.243 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 -8.243 -1.451 -1.479 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 -10.115 7.206 5.890 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 -8.184 -8.023 -10.631 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 1.802 0.501 -1.906 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 10.032 -8.984 17.490 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 15.016 2.669 11.551 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 -3.641 -1.679 4.228 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 -14.643 -10.031 18.875 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 3.195 6.533 4.303 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 -2.507 1.382 -1.854 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 -29.231 -19.468 12.787 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 23.489 1.525 21.269 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 0.664 -8.287 -2.335 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 -14.562 -2.058 -1.735 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 -16.149 13.294 8.852 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 4.048 1.113 -7.843 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 2.048 10.108 -0.557 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 5.044 -10.261 -18.560 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 8.386 6.322 4.920 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 -3.334 -5.130 -5.296 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 -19.348 5.323 -8.437 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 1.415 -4.648 -4.383 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 -2.079 -14.010 1.849 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 1.712 3.073 -2.573 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 -1.144 -0.160 3.188 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 19.379 20.895 -0.134 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 11.756 -6.724 1.008 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 -1.120 0.091 -1.290 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 -0.815 -4.526 5.401 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 -9.391 10.460 -25.847 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 -0.308 3.212 1.489 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 1.436 -18.174 0.747 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 3.210 24.271 0.750 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 -1.737 6.528 -3.923 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 -20.493 -6.671 -6.859 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 15.015 17.563 -1.427 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 0.275 -2.265 -2.574 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 -0.462 -2.815 -1.738 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 4.468 -1.952 -9.652 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 -0.018 3.071 -2.710 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 12.808 11.092 9.327 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 -10.619 -12.848 -16.629 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 1.255 -4.950 1.851 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 -14.544 0.050 -8.780 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 9.072 20.544 12.021 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 4.091 7.773 -5.005 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 7.702 10.638 19.168 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 27.494 9.457 -17.903 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 -5.717 -3.306 -8.175 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 -0.399 -3.845 -16.972 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 -15.534 -3.263 7.576 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 -7.546 2.339 -0.890 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 -5.822 -1.392 -8.876 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 -1.344 -0.922 5.225 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 -2.087 -3.158 -3.804 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 14.799 -9.782 -3.108 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 -2.352 -16.993 -6.869 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 1.099 -4.890 -3.905 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 -2.351 1.137 -20.219 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 21.372 4.703 5.375 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 1.892 4.533 -2.660 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 -14.666 -1.286 5.257 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 14.640 2.534 12.477 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 -0.268 2.259 -1.639 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 -19.389 4.360 12.179 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 -7.917 0.735 16.934 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 5.447 1.468 -4.360 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 -7.523 -4.654 -2.782 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 2.506 -6.245 0.305 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 1.027 2.774 5.899 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 2.576 0.502 13.146 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 -6.829 17.383 -6.385 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 -2.114 2.277 -0.755 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 18.131 -4.838 4.976 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 -5.820 3.393 -1.772 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 1.032 -3.054 0.570 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 14.131 -0.276 9.195 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 -11.969 -2.210 2.033 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 -0.368 2.163 1.239 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 5.582 4.351 0.671 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 -5.449 0.535 0.856 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 -1.973 0.929 -12.164 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 3.675 -7.192 -6.675 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 -4.623 21.808 -8.115 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 0.086 1.400 1.895 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 -8.583 7.007 8.274 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 10.066 -0.050 -5.047 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 -5.464 0.318 2.267 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 -17.034 -3.491 17.091 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 6.864 13.541 -12.844 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 0.992 -3.254 1.675 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 -1.243 -5.555 -12.194 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 2.013 -2.117 8.429 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 5.699 2.740 -0.220 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 -6.311 0.663 -4.681 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 9.059 14.004 1.187 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 2.456 4.608 -1.884 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 1.566 6.102 -8.637 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 10.399 5.021 -2.719 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 0.153 -4.735 5.254 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 6.013 7.829 14.465 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 12.852 -9.755 5.357 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 4.662 -2.089 -2.134 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 0.429 -4.602 3.634 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 -14.826 -2.725 -8.811 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 -4.217 -2.380 -3.136 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 -24.650 -17.781 -16.980 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 9.581 2.064 3.916 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 1.266 3.012 3.824 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 3.441 3.997 15.336 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 2.133 6.417 -16.142 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 1.259 1.657 -1.072 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 -21.678 -12.608 17.250 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 -7.526 3.708 -4.141 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 2.784 -5.191 -0.405 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 5.304 -6.369 -9.306 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 -0.447 -20.028 -20.125 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 0.085 7.766 -3.591 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 0.373 3.372 7.958 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 23.017 11.735 -13.223 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 -1.418 -3.569 3.120 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 -5.786 -5.046 -4.705 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 3.788 -2.182 -3.944 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 7.316 4.000 3.897 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 14.546 7.203 11.138 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 5.462 -3.625 13.076 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 2.204 -1.840 -5.811 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 3.480 -10.989 -0.296 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 2.465 -9.984 19.275 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 1.323 4.173 -2.803 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 -2.514 9.016 0.854 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 11.575 -7.039 -4.753 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 4.050 -3.688 4.252 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 13.253 0.912 -21.077 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 14.898 -2.883 5.355 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 -0.360 -7.672 -3.768 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 -4.345 3.551 4.645 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 -0.586 1.939 18.912 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 0.291 -1.678 -1.741 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 6.118 -4.947 -28.986 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 -17.929 8.988 -6.670 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 2.238 2.343 -2.176 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 8.846 3.211 -4.822 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 -1.585 -1.997 -7.112 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 -5.246 -3.326 2.883 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 -9.917 -6.705 -8.540 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 -7.024 -7.138 -10.384 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 -1.012 -1.514 4.356 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 2.705 1.810 4.865 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 8.612 0.922 9.613 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 1.974 1.821 0.846 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 -8.652 -5.351 -6.555 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 -2.798 11.461 9.408 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 -1.395 5.020 -2.153 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 -11.474 5.354 -14.116 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 -5.102 -11.257 5.520 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 4.538 0.804 0.141 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 -2.067 4.728 -12.174 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 9.095 3.361 3.445 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 -1.834 -7.026 -9.950 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 -7.834 -7.075 -3.676 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 -7.748 6.865 -14.990 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 -0.156 0.434 -1.375 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 7.691 -2.091 0.156 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 -0.533 4.147 -19.531 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 1.816 -1.838 -5.329 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 7.749 -6.510 -10.649 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 4.274 -3.379 2.628 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 0.011 1.322 -1.625 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 17.542 10.178 -16.959 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 -15.749 -5.105 14.532 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 -3.230 -2.417 7.692 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 -7.295 4.981 13.394 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 13.966 -7.854 25.523 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 0.931 1.594 4.875 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 20.520 3.595 0.757 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 -1.704 4.868 -6.967 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 -2.451 4.877 -0.146 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 -3.264 -17.432 0.516 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 -11.213 12.458 -5.010 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 6.179 -1.783 0.034 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 -15.278 1.020 2.297 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 -0.767 -1.433 -25.186 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 2.694 0.760 -4.758 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 -14.893 31.322 -2.404 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 0.404 -20.486 15.285 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 5.548 -0.590 -3.210 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 8.078 1.220 15.771 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 4.883 -0.814 -5.568 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 -3.411 -2.614 -0.113 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 -6.748 5.865 -9.621 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 -8.289 -5.843 12.052 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 -4.374 1.040 -2.404 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 9.033 4.583 -5.763 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 -23.885 -9.161 16.943 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 1.801 7.061 -1.937 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 -0.727 7.894 -3.055 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 10.584 -8.932 15.507 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 2.405 -2.137 -2.640 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 -4.602 3.717 9.900 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 24.630 9.837 -23.676 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 0.184 0.114 -0.320 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 -4.342 13.255 -2.245 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 13.693 2.117 23.878 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 3.855 -2.013 -3.960 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 21.621 -21.876 -19.742 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 -16.473 -7.906 17.866 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 -3.582 -5.942 1.479 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 -5.182 0.990 -2.411 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 -5.289 -5.190 9.195 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 -4.691 -4.933 -0.773 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 5.192 -16.178 -3.909 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 -7.211 18.226 -3.400 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 -3.198 1.781 -1.639 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 13.316 9.629 -2.018 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 -2.778 1.795 -18.350 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 3.610 -9.699 -1.190 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 -4.501 -30.840 10.201 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 -0.468 13.726 -5.514 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 6.101 1.086 1.490 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 -5.517 21.135 -0.161 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 3.967 -7.294 -20.002 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 9.472 -1.060 -0.994 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 21.214 -19.824 11.991 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 -9.175 -17.472 -6.136 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 -4.614 -4.529 0.598 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 -23.780 2.840 -18.462 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 -4.374 11.269 -18.024 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 4.118 5.253 3.004 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 6.889 13.556 9.043 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 -4.050 5.533 12.045 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 -5.942 -1.258 4.216 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 -15.215 -4.697 14.263 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 -7.551 -0.933 5.184 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 -0.824 -3.004 1.455 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 11.652 2.232 1.041 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 -0.865 -8.412 -10.346 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 -3.939 -2.904 -6.757 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 6.480 1.143 3.043 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 14.623 10.694 -0.667 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 3.795 -7.733 -5.373 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 20.753 -30.281 -18.221 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 -19.859 -10.123 8.851 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 -0.854 -1.421 0.114 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 0.596 -9.039 7.468 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 -10.229 0.792 0.744 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 -4.876 2.799 -8.309 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 1.248 18.212 3.875 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 -3.584 -6.951 1.302 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 4.914 7.364 0.272 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 1.463 3.749 8.667 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 -10.454 3.402 5.821 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 1.325 -6.420 -0.088 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 9.728 -8.140 4.097 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 -21.243 3.033 -14.792 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 -1.785 -1.033 4.230 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 -16.782 13.408 9.679 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 10.359 -1.617 12.811 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 3.378 4.676 -2.602 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 3.147 4.541 -4.501 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 4.478 -2.341 -5.842 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 -1.989 2.631 -1.481 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 1.638 1.808 2.435 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 -9.027 4.962 -7.923 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 -1.530 1.894 -4.143 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 -17.204 -15.906 10.306 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 -16.102 29.103 -3.646 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 0.211 0.597 -5.805 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 3.641 1.285 -6.040 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 -21.238 -2.338 -6.645 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 -6.913 1.835 -1.503 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 -4.373 6.742 -2.273 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 -21.451 0.703 5.238 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 -0.277 1.842 -7.773 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 -2.006 6.581 -0.966 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 -7.346 -5.240 17.360 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 3.233 -0.768 3.777 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 7.610 10.877 -7.422 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 6.029 -0.048 -1.421 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 -7.747 4.258 -5.807 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 -20.624 -21.994 -10.016 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 10.651 17.478 4.562 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 -4.984 -0.148 1.644 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 -11.484 17.635 24.658 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 6.146 -2.390 28.825 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 2.039 -2.786 -0.798 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 0.922 -15.692 -0.363 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 -0.922 13.708 1.165 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 3.187 -3.401 0.730 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 12.112 -2.130 9.387 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 -1.986 5.974 2.095 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 3.180 6.218 4.788 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 4.922 15.934 4.078 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 6.363 10.137 -4.623 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 3.221 3.020 1.620 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 -5.679 1.941 0.621 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 18.570 9.901 5.967 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 -1.213 1.964 -0.781 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 -3.366 11.403 20.382 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 27.058 13.061 -6.378 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 0.968 -5.874 1.335 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 -9.673 -12.374 -1.029 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 -1.598 -2.359 4.265 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 -3.592 3.421 -10.660 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 -12.131 0.024 10.583 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 -3.215 2.401 -9.243 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 1.075 2.792 3.917 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 -6.974 -14.265 -11.809 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 -13.058 2.794 -5.327 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 5.832 4.572 -1.856 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 15.091 9.341 7.496 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 -11.209 -7.398 -23.980 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 0.366 1.409 2.573 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 7.455 14.593 -10.474 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 -20.416 -4.751 -12.719 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 -0.041 6.711 0.244 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 -11.725 -10.474 -2.365 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 36.422 22.282 -17.012 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 -0.290 2.761 -1.166 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 2.857 -6.056 -8.240 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 11.344 13.404 2.114 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 -4.704 3.655 -6.624 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 -13.670 6.233 9.411 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 -10.535 -14.117 -12.679 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 8.820 -4.951 -0.701 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 14.518 13.649 14.941 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 3.964 5.870 -6.811 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 1.992 -4.475 4.009 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 1.863 -8.034 -2.879 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 9.691 -6.087 2.475 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 4.410 5.519 0.274 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 12.196 16.666 17.609 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 19.270 10.633 -13.178 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 2.158 5.647 1.011 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 18.505 10.990 1.349 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 -2.808 -6.050 5.658 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 -2.578 4.852 -10.466 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 -14.250 12.045 -21.946 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 6.584 -1.029 -0.487 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 -1.637 -3.632 3.202 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 7.816 1.000 -19.204 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 -13.427 13.625 8.744 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 1.621 -1.659 -1.398 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 -17.188 -17.148 22.328 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 -6.240 -7.789 8.207 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 1.531 3.418 -0.988 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 21.180 -2.642 9.489 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 -7.634 8.970 -3.396 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 -8.317 5.369 3.069 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 -14.311 -29.921 5.324 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 -12.180 -1.084 8.324 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 0.346 3.921 2.461 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 11.289 -12.245 2.877 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 17.273 -1.355 2.709 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 -1.729 -13.879 -4.751 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 -9.130 -21.270 -4.433 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 7.239 -18.360 -1.970 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 2.944 -7.479 2.831 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 -2.032 -20.210 1.961 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 -3.066 6.478 0.256 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 4.240 0.023 -5.516 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 16.081 -6.845 -8.729 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 -6.623 11.565 -13.118 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 -0.439 2.177 -3.970 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 2.269 8.028 -1.267 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 7.147 17.026 0.013 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 -2.238 -3.627 6.482 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 3.965 -10.326 -16.657 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 0.515 -5.792 15.467 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 -0.647 -6.809 -5.101 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 7.137 1.940 -17.465 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 -14.139 -4.917 -23.007 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 0.411 -4.624 0.694 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 17.848 -11.216 5.530 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 -6.402 -7.097 -7.472 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 1.466 7.792 -2.198 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 0.954 19.904 7.062 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 -1.186 13.615 0.296 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 -2.622 0.871 7.285 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 6.049 -2.691 9.181 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 -5.605 -5.124 7.603 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 0.848 -2.185 4.339 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 -11.190 4.474 1.547 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 -27.462 14.059 -2.895 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 -7.609 1.548 2.542 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 -1.485 -7.561 3.939 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 -8.720 4.395 2.414 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 5.715 3.725 -3.003 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 -0.645 17.502 3.190 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 -1.152 -9.782 4.909 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 3.858 1.151 6.534 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 1.097 -7.579 3.749 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 2.541 -17.139 12.823 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 1.866 -8.121 1.067 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 15.312 -11.993 -2.093 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 7.479 -10.237 -5.038 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 3.420 -4.136 2.129 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 -15.362 -9.265 -11.637 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 8.412 -19.577 -2.471 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 -1.793 -2.692 -0.012 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 -16.736 3.230 8.567 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 1.925 9.734 -8.385 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 -1.245 0.028 -3.154 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 12.151 2.347 -18.002 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 3.571 -17.869 4.889 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 -5.015 1.958 -4.320 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 -5.205 -1.162 -1.464 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 -5.419 -3.876 4.226 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 6.266 2.473 0.531 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 14.181 -1.614 -1.015 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 16.332 -6.365 -6.280 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 -1.339 -8.284 -3.847 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 -3.016 -6.660 -18.519 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 20.238 -6.936 8.325 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 -0.450 -1.865 -0.642 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 -25.669 2.806 18.039 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 18.801 20.500 1.102 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 -0.876 -4.566 -7.158 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 -5.965 -15.297 -10.633 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 37.575 4.285 -4.836 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 0.867 -7.372 -5.208 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 -9.511 -3.946 -6.532 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 -1.418 1.178 -9.004 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 4.871 2.700 -2.093 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 -18.267 -20.847 6.077 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 -17.346 -5.669 -3.174 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 5.215 2.927 4.867 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 -21.644 1.623 -3.971 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 -20.945 -1.717 -2.142 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 -3.862 3.929 0.097 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 -1.399 22.021 -21.610 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 3.435 -7.576 -16.892 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 -4.232 -1.615 2.044 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 0.748 8.067 7.970 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 -2.122 -8.003 -4.518 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 -0.325 -0.391 -0.120 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 -4.194 -12.016 36.707 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 9.414 -11.397 5.956 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 -6.281 -5.428 -0.819 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 10.895 18.590 13.725 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 5.814 4.741 -26.130 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 -2.340 -3.605 5.274 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 -1.765 5.595 4.154 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 -1.618 -2.229 -0.743 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 -4.141 6.182 -4.530 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 -18.400 -4.780 -2.538 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 22.392 19.799 8.212 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 -1.335 -1.792 -0.811 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 -11.680 5.413 6.568 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 1.009 11.948 -12.840 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 8.189 -9.584 -0.719 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 1.742 4.918 8.982 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 3.419 -6.613 1.747 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 0.449 -1.449 -6.272 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 15.469 -5.305 -21.636 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 -2.879 -4.930 0.897 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 -2.426 -1.049 -1.361 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 -3.724 0.635 25.355 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 4.106 10.845 19.332 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 0.307 -3.270 -0.374 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 -2.747 -2.470 1.140 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 -4.002 -3.292 -1.743 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 0.903 -2.148 5.334 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 15.545 -10.368 -15.407 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 5.690 -5.256 0.592 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 5.542 1.184 2.865 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 6.620 9.623 -3.046 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 -3.066 -3.677 -4.668 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 -0.325 -2.665 -3.955 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 -3.464 15.616 6.965 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 15.759 -23.636 -2.902 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 -6.573 -2.572 4.834 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 -8.429 -3.221 -1.075 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 -17.183 -27.293 -18.880 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 -1.496 -3.187 0.613 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 22.233 -16.524 2.887 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 -27.290 10.753 3.954 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 -5.827 -1.200 -2.161 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 0.587 -9.006 -9.384 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 3.257 -3.890 -8.260 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 -5.936 7.509 -7.795 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 -40.377 16.957 17.738 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 22.321 -14.389 -19.218 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 6.264 0.731 -0.487 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 -0.504 8.430 -8.398 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 11.086 10.185 8.447 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 3.864 9.294 3.718 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 7.643 13.676 6.959 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 -3.942 18.182 -0.235 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 3.002 4.452 1.328 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 -4.219 1.732 4.664 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 3.259 -23.173 -5.428 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 2.795 2.893 5.535 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 -19.993 0.539 16.306 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 -0.400 16.685 -14.010 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 -1.410 0.363 0.444 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 -5.118 -13.384 9.828 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 13.356 -8.435 -25.965 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 -0.959 -3.386 -9.809 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 0.917 -3.545 -7.527 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 -18.145 3.159 -29.211 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 -6.368 -2.694 -5.681 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 16.902 11.399 -11.638 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 0.191 -30.273 1.757 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 -4.342 4.343 0.755 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 -11.262 -2.247 0.344 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 -4.858 3.610 2.486 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 -3.130 7.014 3.578 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 -7.410 5.231 -8.628 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 19.920 -13.704 19.544 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 -5.189 -3.809 -0.991 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 2.563 10.559 -13.064 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 -3.449 -7.156 -1.937 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 1.954 -0.478 -4.106 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 17.169 3.985 10.591 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 -5.149 1.355 -1.357 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 3.636 4.459 -2.008 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 2.018 -12.200 11.707 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 7.165 -1.348 2.306 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 -1.437 -2.390 -0.849 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 -7.756 -2.246 -16.429 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 -18.943 4.915 -0.418 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 9.130 5.081 -2.195 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 25.792 4.032 -7.017 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 -6.192 10.772 -9.334 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 -3.227 -0.284 1.522 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 -5.158 -1.651 7.702 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 0.526 16.879 -6.051 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 -3.783 -4.720 6.552 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 6.828 -0.426 -1.496 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 -0.344 8.416 15.522 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 -0.001 -0.153 0.039 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 3.633 -11.900 -28.454 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 -8.520 12.473 -25.720 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 -0.021 -0.712 -2.734 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 1.588 -9.423 0.949 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 -8.050 29.503 -12.474 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 -4.605 5.232 -3.615 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 -0.848 7.574 -14.769 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 -2.715 6.502 -9.906 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 5.246 -4.803 -0.353 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 8.488 27.646 -19.755 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 -5.025 -13.229 -11.581 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 1.826 2.346 5.078 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 4.034 1.461 5.507 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 -9.062 -1.443 0.803 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 4.562 5.046 -1.991 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 8.385 -5.371 14.616 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 12.738 15.648 -16.243 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 -1.289 -1.642 3.423 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 5.685 -7.008 9.956 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 -0.705 -6.708 -14.616 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 -14.392 4.030 -4.858 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 -0.414 22.357 -17.953 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 0.850 7.946 -2.351 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 -2.158 1.471 -4.632 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 -6.046 5.853 -7.135 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 -10.898 10.589 -10.227 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 4.403 3.425 -3.526 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 -6.946 7.626 -3.147 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 2.911 14.141 -8.314 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 2.394 -1.658 2.669 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 2.130 -9.572 11.016 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 2.359 6.862 -9.468 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 8.546 1.680 0.321 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 -2.376 8.825 -2.962 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 1.010 14.128 -2.696 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 -6.773 1.468 -2.647 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 -4.870 5.473 19.263 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 -6.239 -0.181 18.477 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 -5.962 -7.521 2.663 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 -2.226 6.715 9.626 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 -5.890 -9.733 1.261 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 1.875 5.675 -3.817 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 -0.213 1.712 4.705 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 4.053 11.660 -14.906 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 -0.894 -3.738 7.912 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 1.755 -3.441 5.964 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 11.257 1.798 -0.434 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 -1.930 -7.380 4.570 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 -9.401 12.370 1.485 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 -17.551 3.955 0.464 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 -3.789 2.981 -8.723 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 -3.860 -0.387 -8.983 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 -10.658 9.916 -5.407 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 3.799 -2.403 3.186 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 17.030 3.806 6.744 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 -17.362 -23.169 6.211 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 0.304 4.932 -0.060 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 -5.366 7.947 3.233 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 23.855 -12.599 9.585 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 -8.301 -2.488 -1.377 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 -10.307 -2.611 -5.123 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 22.259 23.828 5.449 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 -0.852 0.835 -3.218 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 9.969 -7.681 -1.514 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 -5.494 -9.931 -0.759 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 -4.597 -5.165 4.728 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 6.395 -5.175 -13.302 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 -17.708 -3.259 24.298 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 0.902 2.257 -1.743 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 -16.307 10.708 -8.700 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 7.705 0.223 14.925 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 2.094 -4.578 1.155 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 2.686 0.395 3.646 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 -0.395 -0.177 9.612 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 6.170 1.655 1.271 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 9.328 -0.353 -1.675 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 -10.524 -17.861 -34.721 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 -0.579 -1.219 -9.755 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 -5.204 17.072 -10.039 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 10.162 10.467 -2.944 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 7.047 4.970 0.264 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 -11.640 1.385 -8.127 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 2.058 -3.906 17.578 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 1.431 5.615 2.503 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 0.133 2.558 8.479 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 3.998 9.517 -2.161 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 4.572 0.988 1.342 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 -7.660 13.197 35.599 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 7.614 7.640 23.031 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 -0.526 3.142 -3.354 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 -1.197 13.210 16.423 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 -2.620 9.117 8.363 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 -1.680 1.831 -2.330 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 21.322 24.024 7.166 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 -26.131 -13.838 9.101 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 -4.878 -1.248 6.457 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 -13.162 7.494 -3.949 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 5.337 -9.407 -1.617 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 -3.162 -4.155 7.760 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 -7.920 9.822 11.544 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 24.054 -11.537 -16.807 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 -6.915 0.460 -5.720 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 -9.419 -7.154 -21.353 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 0.919 15.047 18.930 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 2.999 -3.185 -7.568 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 0.219 -5.946 -11.311 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 -2.580 -9.683 -11.694 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 -0.347 -4.344 -0.922 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 -37.446 0.303 2.094 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 -6.516 -7.016 11.199 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 0.266 -0.025 -0.998 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 -3.420 22.360 -6.112 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 10.175 -13.187 -0.081 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 1.508 1.751 -0.198 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 1.326 -8.489 7.426 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 10.515 12.462 8.868 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 1.481 -3.044 1.516 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 -6.213 -23.309 -3.518 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 8.665 15.531 3.065 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 3.337 -7.765 -0.757 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 1.977 -11.985 10.880 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 4.343 -5.382 -8.456 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 1.029 -3.145 -0.710 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 -5.601 9.081 -10.323 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 -0.293 0.298 -4.922 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 0.003 -0.289 -2.781 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 -6.035 -19.490 -9.412 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 1.835 -6.487 22.121 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 -5.077 1.886 -0.331 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 6.862 2.060 0.237 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 11.778 11.868 -16.386 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 1.292 -0.293 -0.907 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 -0.449 0.773 -2.177 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 -5.996 3.336 -6.882 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 -1.918 2.068 -0.351 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 -20.825 -3.104 -12.673 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 -3.323 15.068 -1.633 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 -5.164 0.680 -1.253 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 2.304 2.173 2.332 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 -10.597 16.616 -5.849 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 5.749 1.580 -4.496 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 -7.283 4.659 -3.888 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 -14.891 -8.624 -10.453 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 0.697 0.110 1.519 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 -6.416 -9.731 5.128 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 20.339 9.235 -7.682 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 0.739 1.095 -0.475 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 -19.179 -2.446 -19.297 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 -4.325 -8.881 2.403 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 -1.804 -0.418 -0.695 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 -4.873 8.998 17.438 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 6.642 7.731 8.416 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 -1.198 3.161 0.354 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 -2.448 -5.387 2.485 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 10.787 7.612 -8.721 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 1.409 -4.292 3.459 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 -6.313 -10.234 -0.552 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 15.161 -4.814 -0.472 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 -0.909 3.445 2.496 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 -0.290 1.236 1.441 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 5.423 5.736 7.779 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 -1.737 2.081 7.815 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 -7.840 1.710 7.980 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 -24.337 19.028 24.351 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 1.016 -0.057 3.553 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 0.513 1.057 5.493 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 -11.992 -8.082 18.970 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 1.073 6.122 0.210 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 1.529 -6.639 24.749 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 -4.551 16.783 -9.330 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 -0.413 0.422 -0.864 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 -4.951 -7.475 7.702 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 2.748 17.861 0.296 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 -2.103 -4.831 -1.729 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 5.218 5.964 9.020 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 9.580 -12.651 -10.265 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 3.252 -2.829 6.926 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 -5.729 3.393 -10.311 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 1.757 10.619 15.880 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 -0.891 3.517 -3.396 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 -7.309 0.789 -12.140 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 9.082 19.052 -8.282 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 -2.454 0.002 4.558 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 14.334 2.200 37.793 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 4.026 -35.042 -9.578 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 -1.806 -6.631 -5.427 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 18.401 3.256 -4.320 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 -35.817 14.709 12.825 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 -2.260 0.576 -0.026 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 0.485 -16.909 -4.955 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 -2.050 -2.994 1.982 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 -2.227 4.942 -5.814 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 -4.176 12.975 -6.187 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 4.871 -3.747 6.671 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 -1.470 5.456 2.134 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 2.090 4.320 -11.895 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 -4.840 17.376 4.526 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 1.367 -2.731 2.984 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 -7.800 0.859 9.449 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 10.315 -10.874 -18.578 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 -0.550 -1.257 2.246 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 2.091 -11.829 -12.724 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 -3.350 -10.895 5.114 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 -2.092 -0.677 3.828 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 -15.913 -1.260 29.908 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 -14.288 -3.182 -1.741 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 -4.425 0.446 1.895 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 -18.750 -6.583 2.593 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 3.866 2.449 4.302 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 4.892 -0.708 1.131 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 18.316 4.158 -6.804 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 27.228 6.610 -9.563 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 1.294 5.700 -1.365 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 -0.859 1.501 12.505 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 4.512 4.542 -9.729 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 -4.766 4.854 4.511 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 -2.844 6.248 8.555 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 -8.933 6.082 4.432 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 -2.986 3.218 3.026 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 3.852 9.369 5.021 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 2.470 14.019 -24.116 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 -1.055 2.654 6.220 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 27.911 19.748 2.825 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 -0.889 2.666 -4.984 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 -2.636 -1.571 2.701 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 -5.782 -4.532 -1.882 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 0.589 2.114 1.466 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 -4.337 1.168 4.488 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 -12.131 -9.813 -13.819 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 5.379 9.492 6.503 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 -1.726 -1.420 -3.247 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 -2.516 12.279 -7.274 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 16.088 7.299 -8.322 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 2.720 -10.685 -3.543 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 19.059 -25.753 -13.947 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 4.387 -16.857 12.548 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 -7.236 -0.857 0.088 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 -2.725 -3.160 0.187 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 10.163 -20.902 -3.662 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 1.232 -2.246 -1.237 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 -13.727 2.681 -0.060 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 18.982 17.542 -27.396 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 4.694 4.060 -1.524 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 6.730 -8.183 27.074 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 -14.551 9.689 -4.829 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 5.350 4.274 -0.438 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 11.663 2.682 15.958 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 -1.983 -16.677 -8.852 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 -4.898 1.037 3.349 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 17.538 12.457 0.635 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 1.479 -25.386 -1.382 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 1.463 2.994 -0.058 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 12.538 -8.053 -3.635 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 -6.445 8.527 8.580 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 -1.481 0.855 -2.294 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 6.567 3.331 -4.783 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 -4.704 -5.896 -10.000 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 1.289 1.518 -3.071 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 3.826 -6.837 9.128 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 -1.276 12.117 -20.079 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 6.252 -2.176 3.257 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 -7.987 -20.046 14.555 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 -9.286 16.432 2.453 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 2.720 4.583 -1.045 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 -0.851 -1.330 -5.145 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 6.133 12.578 -0.260 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 -1.257 -2.619 3.229 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 10.604 -16.580 -14.273 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 0.336 -18.417 22.712 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 4.690 -2.688 -2.331 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 9.666 0.053 3.682 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 5.234 4.951 -12.621 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 -3.080 -1.721 -0.566 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 -11.006 11.163 4.116 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 1.395 -10.195 -0.022 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 -3.026 2.246 3.314 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 -13.325 -1.575 -0.005 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 -5.816 -15.695 25.698 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 -3.317 0.292 5.647 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 9.561 20.200 -2.536 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 7.108 -8.290 16.078 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 -0.873 0.315 -1.773 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 -7.090 10.853 -12.584 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 2.054 3.687 4.552 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 0.690 3.902 -2.284 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 -8.473 -15.878 0.721 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 2.705 -4.713 -3.077 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 3.078 -2.613 2.903 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 -1.899 -7.902 -19.201 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 31.385 3.026 -10.854 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 2.585 -4.799 -4.122 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 -2.460 -4.995 -3.403 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 -1.621 -11.065 3.452 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 1.347 7.771 -3.207 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 -21.399 -2.904 -4.340 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 -2.639 21.034 -9.232 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 2.787 1.240 3.542 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 4.531 38.561 -10.773 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 9.682 11.121 21.270 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 -6.339 1.556 4.053 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 -3.810 14.019 -13.890 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 -34.174 4.629 14.946 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 2.067 -1.850 3.533 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 3.520 -7.693 17.953 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 6.036 2.204 -9.798 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 2.317 -3.923 -7.288 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 17.523 -7.874 -0.243 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 -15.683 -14.669 -13.611 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 3.016 0.250 3.678 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 0.287 6.947 -4.145 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 3.654 4.497 -3.691 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 3.943 -5.320 3.277 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 8.721 -2.645 4.285 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 3.714 -8.076 3.923 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 -0.384 -10.174 4.216 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 -3.217 -7.614 17.229 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 0.586 -12.077 4.505 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 -0.613 4.386 0.501 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 16.711 15.165 -4.982 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 -18.432 1.441 12.765 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 0.924 2.636 -1.805 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 15.752 -29.297 -10.269 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 2.198 1.258 -2.108 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 -1.911 -1.952 -1.996 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 7.471 -11.329 -13.677 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 3.931 -14.623 -15.619 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 1.349 -1.944 2.639 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 15.034 -7.701 30.312 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 8.034 -7.137 -9.009 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 -1.647 1.467 1.254 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 9.174 -12.652 -0.274 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 -3.743 -11.974 11.929 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 3.573 1.810 0.452 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 0.755 8.639 15.303 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 -2.665 2.570 -28.471 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 -2.095 -2.316 0.596 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 -6.409 -8.921 14.237 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 0.679 5.160 -3.124 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 -4.499 6.813 1.651 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 -20.057 -0.331 -7.678 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 -39.994 -11.793 -0.810 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 -1.066 2.275 -1.739 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 23.588 2.966 -29.393 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 5.783 -2.218 -24.592 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 -1.960 4.529 1.323 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 2.839 -15.214 4.573 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 -4.564 -15.965 -0.727 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 -1.055 2.315 0.800 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 -7.832 -15.479 -2.028 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 13.483 4.206 -0.786 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 -0.727 5.316 0.916 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 -0.079 -3.040 -7.374 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 -15.802 -13.349 2.109 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 6.509 -3.211 -3.792 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 3.298 0.923 -1.515 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 -3.152 4.851 -10.054 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 -4.391 -1.692 -0.255 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 2.199 -13.007 -18.370 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 -1.924 9.219 10.621 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 3.781 0.873 2.438 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 5.979 -15.034 -15.008 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 8.885 10.014 -5.658 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 1.604 -5.841 -1.524 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 -6.815 -6.471 12.173 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 -1.193 -14.808 8.162 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 1.497 -2.128 2.519 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 15.357 7.624 -5.393 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 5.690 1.347 9.973 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 1.950 -2.010 0.548 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 1.202 4.732 -8.071 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 -25.368 -16.372 -4.167 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 -6.736 4.640 -7.829 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 9.617 -21.372 -0.031 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 -1.013 -2.496 -23.031 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 2.141 6.192 -5.690 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 8.262 10.736 -13.409 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 14.252 -10.261 2.850 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 -4.531 -1.399 -0.111 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 0.940 -2.814 -8.901 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 -10.330 -10.953 0.614 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 4.500 -2.988 -5.340 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 3.809 -2.618 23.620 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 0.265 16.285 -3.888 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 -1.051 0.969 -4.026 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 -17.388 -2.509 -3.517 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 -3.928 8.959 -1.584 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 -5.424 -0.933 -0.249 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 2.964 1.791 -15.443 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 6.757 -2.016 11.536 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 2.207 -4.889 2.112 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 -3.735 -0.214 -8.168 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 5.794 -7.511 8.439 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 -0.041 -1.015 -0.731 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 19.546 -16.280 -3.981 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 15.720 -12.271 -5.913 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 6.863 7.392 -4.305 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 8.097 -6.264 -12.894 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 2.521 5.690 -11.131 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 3.093 0.152 2.047 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 -3.117 0.441 7.693 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 -1.707 9.418 -1.874 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 5.230 -2.100 2.069 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 5.410 3.669 -1.678 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 -2.144 11.771 -3.417 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 5.346 6.020 0.177 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 20.882 -7.707 -16.862 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 -19.458 4.615 -1.621 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 -2.112 -0.930 4.460 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 2.772 5.326 22.400 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 10.741 -15.517 1.268 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 -0.924 7.518 1.525 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 -2.961 5.501 11.273 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 0.906 9.176 -9.389 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 -1.762 0.371 4.674 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 -9.542 0.040 -5.286 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 13.907 -0.103 -5.229 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 -6.657 -3.009 0.027 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 -13.398 -20.478 3.607 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 -10.405 -19.556 6.440 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 -1.888 -1.354 0.818 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 -2.405 -5.923 4.155 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 -1.911 0.997 -1.033 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 4.751 1.796 -6.251 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 5.426 10.730 -9.027 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 -4.102 -36.647 6.234 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 -5.409 -6.558 5.237 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 -0.405 -3.127 0.674 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 -2.646 -1.830 -2.360 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 -8.383 0.229 5.600 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 -9.722 -8.567 12.307 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 -3.084 9.237 8.960 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 -1.720 -7.746 2.396 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 -9.686 -6.315 15.661 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 -0.286 -24.163 0.214 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 3.047 0.671 -7.225 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 3.799 -5.586 -5.218 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 -7.212 2.707 -8.050 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 5.678 7.469 -7.966 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 0.291 12.760 -3.499 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 1.906 -4.115 -14.603 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 1.959 -6.499 -0.736 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 8.929 -17.680 13.689 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 16.020 9.149 -1.502 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 -2.333 10.314 -1.513 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 -2.595 -1.961 -9.734 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 -1.231 3.340 11.084 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 -3.122 6.216 3.016 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 16.467 -18.216 4.139 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 12.801 3.064 6.878 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 2.832 -1.483 1.164 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 4.657 -1.351 2.286 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 -0.868 -1.505 -0.951 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 0.219 5.598 6.467 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 -8.978 14.431 15.222 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 25.698 -3.582 7.861 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 -1.259 -4.667 7.208 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 -3.037 -3.615 7.817 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 -2.915 -9.213 10.760 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 -3.084 -2.621 0.858 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 -10.016 1.147 -4.687 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 3.214 2.528 2.058 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 -2.797 -0.373 -1.230 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 -6.914 13.146 -14.444 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 -21.006 -0.829 8.171 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 2.225 8.665 -2.237 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 0.769 -13.168 -2.919 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 24.326 -14.364 -3.236 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 7.103 -4.653 1.730 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 3.074 -0.505 -3.858 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 2.771 12.880 10.590 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 -1.139 -2.207 -3.933 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 11.215 -24.769 -12.158 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 22.520 -3.683 17.168 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 -6.526 0.921 -11.200 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 -11.235 -15.499 15.489 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 21.010 -10.889 -17.843 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 -0.552 6.267 -0.880 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 14.126 -5.940 -3.747 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 -15.714 -1.889 4.492 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 0.717 -7.080 -1.892 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 -4.428 8.146 1.961 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 4.421 -16.775 -4.541 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 -7.708 -0.957 -1.542 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 13.419 4.677 3.634 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 -23.623 23.117 -9.636 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 6.657 -8.452 5.356 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 11.683 -0.290 3.422 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 7.393 34.399 -7.992 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 -6.190 2.402 2.500 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 -13.572 3.041 -21.678 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 -10.671 -10.003 5.656 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 -4.365 -4.849 -1.336 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 -4.654 -11.956 0.039 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 -6.060 -5.813 -8.289 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 3.033 1.091 2.577 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 8.966 21.447 -14.902 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 -24.004 5.249 8.677 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 -4.883 2.088 -1.628 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 -25.765 6.180 -12.253 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 -4.796 10.932 -6.066 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 -7.503 -1.666 -2.721 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 -4.863 -9.592 15.558 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 1.929 -15.256 -7.693 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 2.236 4.510 -2.484 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 2.721 1.812 -4.640 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 3.245 -5.052 -14.638 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 3.504 1.077 0.576 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 12.969 -15.803 -5.533 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 21.371 -12.973 2.858 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 -2.930 0.508 6.457 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 9.223 23.100 15.215 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 -11.476 -17.234 -3.453 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 3.639 2.342 -1.654 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 0.482 -1.787 13.522 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 -0.258 3.276 -2.890 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 -1.403 -2.363 -5.321 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 -23.158 4.453 -18.198 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 3.775 -7.309 -13.965 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 0.591 2.433 -2.850 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 -20.971 -1.350 -4.758 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 -15.256 21.222 18.391 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 -1.285 0.650 -1.276 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 -1.984 -0.772 1.240 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 -0.858 1.376 1.240 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 0.781 0.538 0.860 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 -3.128 -2.629 4.314 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 5.748 -6.713 8.008 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 -7.066 -2.771 -0.312 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 0.033 6.384 -9.464 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 -21.292 17.158 3.890 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 4.317 -1.055 -3.403 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 7.560 -1.863 12.405 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 -9.490 -5.789 -1.327 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 -0.872 -2.717 -1.206 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 -4.673 7.286 0.395 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 -18.495 -8.007 1.472 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 -1.757 -5.962 0.556 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 0.224 -7.851 5.173 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 -9.710 0.623 -0.788 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 -5.350 6.015 1.201 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 6.988 12.785 -4.593 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 -9.737 11.464 -2.628 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 -1.719 -2.286 -2.584 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 2.542 -4.766 -3.034 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 11.610 -13.424 13.753 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 -5.918 1.347 -6.237 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 21.271 20.731 26.858 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 0.732 12.504 -7.183 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 -1.648 2.869 2.582 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 9.077 12.386 10.355 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 -8.246 -7.167 -21.579 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 -1.190 6.659 -0.783 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 -6.963 4.011 -0.601 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 15.050 14.944 -3.851 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 3.916 0.487 8.124 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 -5.694 -40.994 10.695 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 4.693 -14.290 -2.488 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 -2.453 6.353 -1.384 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 7.101 -5.609 -18.955 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 -4.298 -8.084 8.575 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 5.369 1.543 -2.836 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 16.010 9.842 -31.210 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 12.782 2.862 -3.371 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 -5.455 -5.280 -1.673 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 -7.361 -5.278 2.931 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 -11.644 0.295 -13.948 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 -9.724 -1.966 -0.484 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 -4.387 -1.627 0.292 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 -7.773 7.551 15.858 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 -5.299 1.633 -1.662 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 -23.904 -13.578 -7.092 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 -4.614 1.084 -1.102 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 -2.705 -1.537 1.412 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 -1.357 2.705 1.041 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 -5.161 -14.874 0.580 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 -3.127 2.651 -0.801 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 7.290 3.243 12.863 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 23.848 2.031 6.758 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 -5.911 -2.029 1.220 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 -3.676 -1.220 3.042 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 -7.868 -1.597 3.244 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 -0.741 -0.963 1.183 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 4.807 -3.933 -19.797 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 -12.161 5.042 1.276 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 -3.040 4.351 -10.051 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 4.108 -1.479 -17.614 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 3.037 1.527 -6.070 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 -7.439 0.220 0.050 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 -9.585 -4.987 -0.454 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 -8.957 -6.320 -11.780 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 6.350 -3.887 4.757 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 1.815 -11.318 -5.863 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 -3.967 9.762 5.897 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 -0.192 -0.331 -2.208 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 15.821 -0.012 -6.625 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 -7.435 8.888 13.250 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 3.035 1.318 -0.630 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 -1.614 12.626 -2.987 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 15.527 2.701 12.652 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 -1.840 -3.300 -2.475 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 17.357 -8.108 -13.997 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 -8.291 4.132 0.104 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 2.386 -0.955 5.256 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 4.519 -12.662 -9.071 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 1.443 16.012 11.095 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 0.767 -0.000 -3.136 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 -1.973 -2.840 -4.435 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 -2.148 3.267 -4.352 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 -2.713 2.994 -1.532 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 -8.204 -9.056 19.142 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 -5.978 -1.934 -3.274 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 0.971 4.018 6.924 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 18.664 -0.013 12.868 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 -1.721 -13.822 -12.449 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 -3.861 3.143 -1.747 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 1.008 12.435 -12.871 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 -6.896 -6.803 -11.025 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 6.079 2.471 -4.970 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 -0.630 -10.605 -7.472 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 -0.048 0.332 7.819 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 -1.700 -5.934 2.250 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 -4.168 8.483 17.432 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 14.228 2.203 -8.052 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 7.303 -5.122 -2.733 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 2.066 -10.693 -2.196 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 -14.154 8.817 -4.199 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 5.112 -3.081 0.546 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 20.618 -12.743 -4.278 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 -1.644 3.614 7.730 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 -3.196 1.792 -4.906 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 -0.303 -4.556 -2.706 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 0.031 -2.980 -4.708 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 -2.946 -0.892 4.833 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 -7.809 1.468 10.069 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 -12.801 -16.393 -1.296 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 0.832 6.003 -2.350 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 0.909 21.360 -3.814 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 -4.423 4.078 -4.777 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 3.249 1.044 -5.374 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 8.484 17.154 -2.126 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 7.297 28.943 0.289 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 -5.264 -2.614 6.753 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 -3.617 -10.913 -11.489 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 4.406 -3.074 -3.781 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 1.074 6.144 -0.529 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 -6.716 9.925 -4.760 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 3.212 1.786 -0.192 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 3.681 -4.238 -8.203 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 4.017 8.517 -8.855 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 11.796 7.466 2.773 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 -0.356 5.074 -9.948 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 7.553 -14.405 13.100 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 -14.692 4.672 -26.531 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 3.636 -0.887 -1.122 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 5.044 0.391 11.550 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 2.089 5.816 39.283 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 -7.310 -0.344 -4.510 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 -2.793 -11.431 -5.406 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 -13.487 1.321 -13.400 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 -0.810 3.391 -1.674 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 -5.522 -21.684 -4.082 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 10.822 -0.027 15.837 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 -0.154 0.444 4.414 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 -8.145 -10.662 7.568 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 -2.614 8.851 13.089 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 -1.802 2.050 -0.864 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 16.312 -9.029 -1.420 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 8.301 -5.111 -5.099 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 -2.890 -4.573 -1.559 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 -1.097 -19.432 4.318 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 -5.781 7.764 -4.286 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 1.848 4.246 -0.510 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 6.832 12.248 26.426 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 -1.753 11.344 6.712 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 -0.105 0.822 3.253 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 -24.774 -9.019 -25.041 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 10.409 19.437 15.658 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 -0.992 -7.679 0.501 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 4.905 -25.299 13.078 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 -4.691 8.182 1.099 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 3.315 2.311 -4.182 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 11.247 4.836 -16.451 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 3.249 -4.696 -4.454 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 3.755 -3.617 0.017 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 -7.228 -1.932 2.733 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 14.556 -5.773 -1.683 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 -2.744 3.386 -5.901 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 3.726 0.857 -2.649 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 7.328 -22.766 -6.794 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 -4.315 4.694 -2.798 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 10.089 8.071 11.452 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 7.403 17.612 -10.749 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 0.502 3.262 2.126 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 -21.873 -1.685 4.981 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 1.345 12.376 -19.262 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 -1.395 -1.798 2.854 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 32.109 18.290 -11.862 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 -16.467 -9.234 13.288 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 4.184 -0.517 2.767 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 16.071 -14.469 -3.562 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 12.235 -1.669 18.869 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 -2.733 -0.152 -3.504 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 0.072 0.488 1.739 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 -4.160 1.795 -9.583 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 -0.835 -5.263 2.213 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 -0.657 -0.946 2.070 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 1.210 -11.852 6.019 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 -2.040 4.559 -0.312 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 -13.404 10.175 -5.890 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 1.875 7.429 2.892 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 -6.542 -0.748 -2.561 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 -13.229 -0.234 -18.448 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 4.685 -6.173 13.731 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 1.056 2.604 -1.980 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 -1.471 -7.989 5.846 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 -10.670 4.198 -6.185 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 -2.411 1.815 5.161 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 -4.782 -1.146 -5.405 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 -10.275 10.111 22.452 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 -5.919 -0.813 2.035 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 -0.275 6.414 3.551 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 -4.447 -9.583 1.543 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 1.695 -7.642 3.939 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 -27.947 -5.873 9.631 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 14.597 2.254 28.294 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 -6.116 -2.255 -1.014 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 23.891 -22.542 2.031 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 6.638 -19.165 6.897 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 -0.797 -5.098 -0.493 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 -6.110 -6.257 6.903 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 18.359 -0.021 -24.261 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 -0.828 1.267 12.095 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 -25.653 -23.264 19.601 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 -9.521 10.629 -19.977 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 3.668 -5.091 4.546 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 17.328 0.342 17.239 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 -14.972 1.553 -1.010 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 0.113 -7.328 -2.943 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 6.762 10.159 -7.567 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 -0.015 -5.639 -3.593 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 2.914 -7.868 0.502 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 19.196 -11.072 9.869 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 -5.379 -11.106 8.600 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 5.510 -0.311 -6.640 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 -9.831 8.333 -19.036 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 -12.341 31.111 4.832 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 0.311 7.263 1.996 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 2.422 -2.967 6.743 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 7.109 7.626 15.535 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 -3.535 0.553 1.763 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 1.912 -4.435 0.272 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 -8.742 8.945 4.202 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 0.468 -2.323 -3.864 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 2.256 3.122 -6.965 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 1.919 11.616 3.086 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 -3.288 3.055 -3.081 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 17.600 -5.565 7.846 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 -10.156 -12.234 8.500 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 -1.191 0.306 -4.837 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 -25.762 4.668 16.887 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 0.683 8.073 1.659 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 5.351 3.420 2.242 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 11.038 7.636 16.369 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 -5.757 -6.341 5.980 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 4.318 -1.408 3.279 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 -2.268 -0.891 1.997 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 -4.498 -2.036 -1.667 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 -2.698 2.239 4.040 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 -8.890 -22.593 -11.397 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 35.536 8.901 -9.060 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 -6.617 -4.515 -1.919 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 -24.942 10.138 5.458 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 23.806 -40.999 -14.014 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 -4.889 -6.608 4.588 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 -7.645 -13.245 -11.852 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 -1.743 -10.531 -6.348 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 -0.629 -3.768 2.124 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 -3.217 8.879 7.136 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 -3.348 -1.216 13.321 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 4.614 -1.969 5.554 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 13.132 -2.342 -2.671 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 19.654 0.752 5.894 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 2.076 0.358 3.238 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 2.595 7.793 4.471 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 -18.502 7.675 18.281 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 -2.272 4.016 -1.926 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 -5.219 -6.275 -12.851 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 -4.556 -22.499 -17.510 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 2.430 -5.130 2.379 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 4.777 -3.940 14.216 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 4.198 -9.590 23.609 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 0.214 -0.963 3.389 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 6.818 7.829 -14.801 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 -2.975 -4.145 11.717 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 1.411 4.174 -0.552 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 -8.812 -5.729 6.139 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 8.442 29.441 10.082 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 -2.737 1.739 9.773 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 -2.434 1.798 14.877 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 -5.472 1.863 10.645 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 2.683 5.764 0.412 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 1.060 24.731 -10.237 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 8.448 4.590 -4.157 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 4.848 2.314 1.041 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 12.487 15.970 0.633 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 -8.696 -3.061 -0.310 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 1.470 -2.096 1.490 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 2.063 3.794 0.315 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 -11.404 26.010 -20.848 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 6.963 1.569 3.075 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 -12.169 -18.338 -9.074 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 1.496 5.230 16.499 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 -0.613 -5.251 1.791 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 1.102 -5.880 13.444 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 -4.031 1.300 13.607 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 -0.320 2.120 -2.971 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 -8.463 -3.660 17.382 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 -32.542 -1.612 4.644 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 2.729 3.040 3.581 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 9.046 26.572 5.020 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 9.794 21.287 -6.995 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 0.279 -1.310 -1.083 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 1.368 13.717 21.156 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 -21.813 7.465 -12.207 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 -1.751 1.680 1.998 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 6.875 3.797 -15.345 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 -12.124 -2.542 26.648 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 -7.613 -5.342 -6.062 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 -4.130 -6.885 -3.721 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 -2.232 -7.678 -6.776 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 -4.801 -1.710 7.095 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 5.155 -0.511 -14.987 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 -6.794 23.937 15.798 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 -2.236 0.686 -5.802 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 0.601 -14.907 0.352 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 -7.868 -8.370 9.199 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 5.852 6.228 -6.174 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 -1.162 7.827 4.899 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 -8.473 -2.714 -10.366 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 0.216 7.401 -1.317 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 -0.096 -10.140 11.857 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 -17.811 -0.594 -3.547 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 1.728 -1.174 -4.401 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 -2.366 -3.997 2.225 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 9.602 -2.459 -3.196 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 -0.153 -3.874 -2.148 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 -2.338 11.268 -7.375 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 9.249 -1.048 12.320 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 0.061 -1.365 0.629 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 4.926 2.801 1.329 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 1.101 7.216 -4.733 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 1.604 -0.253 -1.580 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 7.771 6.050 -2.617 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 7.991 30.728 -6.696 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 0.689 1.889 0.395 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 2.719 10.899 -6.526 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 -2.810 -4.144 10.177 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 2.860 -1.371 0.186 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 5.534 -17.379 8.338 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 -13.725 -0.128 6.177 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 1.402 3.563 1.376 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 9.129 2.292 -3.396 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 8.409 -0.970 -10.549 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 -2.902 -3.240 9.151 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 7.245 -8.910 24.043 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 22.323 -0.997 12.028 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 -0.782 0.155 -2.538 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 10.229 -0.048 1.108 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 -0.955 8.380 -11.691 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 0.268 4.238 2.149 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 5.435 29.399 -18.865 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 6.731 13.729 -16.630 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 1.111 -4.237 -1.502 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 8.388 -13.702 6.943 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 8.638 -6.690 -9.017 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 -6.022 1.412 1.390 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 -0.583 29.569 24.625 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 1.704 20.680 30.787 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 -1.549 5.700 0.758 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 -0.147 25.233 -9.486 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 12.417 -9.249 12.145 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 1.813 -3.755 2.115 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 8.280 6.507 3.461 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 5.148 -11.736 -0.837 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 -4.070 -4.264 3.912 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 4.953 5.426 4.882 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 -4.581 -3.308 3.640 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 0.746 1.325 -4.025 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 -12.360 -4.475 -3.680 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 5.851 7.804 4.066 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 -1.516 6.103 -3.575 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 -19.235 -17.285 -20.305 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 5.548 -1.259 14.479 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 6.618 1.918 8.142 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 2.827 -5.893 7.962 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 0.670 10.014 1.452 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 2.743 -6.258 -0.421 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 -7.658 -12.996 -25.419 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 -1.193 -7.080 1.713 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 -0.146 -2.766 1.747 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 13.034 -6.486 -2.774 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 -1.428 -4.334 0.215 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 -4.319 2.155 4.954 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 -10.263 -3.033 -11.160 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 -3.995 -3.767 -2.228 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 0.049 7.363 0.366 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 3.696 15.635 7.991 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 24.572 -5.982 -7.453 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 -3.712 -1.628 -2.980 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 -2.975 -8.764 1.302 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 -5.934 -1.696 0.051 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 2.596 6.630 -6.804 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 7.162 5.098 -11.360 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 4.517 -1.188 -5.970 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 4.879 -1.237 2.137 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 10.633 0.466 -3.123 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 0.153 15.755 -16.169 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 -2.166 -0.678 4.727 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 1.408 7.311 5.916 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 -5.761 -1.485 12.170 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 5.579 2.482 -4.926 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 -12.729 -1.952 -2.207 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 15.830 -3.774 7.948 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 2.932 -1.628 -5.044 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 11.445 -4.948 -3.899 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 4.714 -4.948 -15.250 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 -2.186 0.233 -1.474 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 2.062 10.425 1.430 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 -15.230 -15.581 -6.515 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 -1.755 -0.885 -1.661 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 -16.041 -15.655 -22.798 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 8.920 -12.445 -4.376 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 2.509 -3.426 1.978 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 0.440 20.462 -14.360 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 7.362 9.297 -3.655 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 0.307 3.257 1.041 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 -13.726 -7.791 5.449 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 -5.861 17.737 1.574 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 3.222 7.530 -2.675 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 -6.240 -3.802 16.089 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 6.309 -3.532 8.203 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 8.509 0.938 0.038 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 -12.509 25.989 8.803 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 36.321 -14.041 -5.331 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 -1.429 1.875 4.060 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 -1.579 -5.008 -18.387 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 -2.630 -28.478 22.492 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 -2.157 -2.439 -0.685 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 2.464 -8.051 4.301 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 -5.924 -5.783 -2.348 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 -1.667 -3.155 -0.775 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 -8.811 -20.661 16.960 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 -1.118 2.090 -3.369 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 1.173 -6.649 4.194 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 -0.153 19.794 18.585 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 2.633 4.248 -18.706 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 3.242 1.837 6.549 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 -11.690 -16.794 11.688 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 -32.970 10.877 12.791 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 -5.399 4.809 -4.188 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 -0.219 -11.541 -26.222 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 10.165 13.034 -2.870 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 4.909 3.519 4.666 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 3.675 2.469 10.147 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 6.499 6.000 0.293 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 0.198 -0.826 11.172 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 -11.277 10.271 15.923 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 -3.497 3.423 26.844 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 8.838 3.903 -2.766 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 -11.485 -3.997 -7.491 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 -5.390 1.251 -3.094 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 8.883 0.769 1.006 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 -17.350 7.719 2.098 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 18.810 -0.843 -10.873 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 -4.403 -4.476 -3.173 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 -22.416 10.300 -6.417 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 -14.285 5.885 -1.352 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 0.381 -2.056 -4.975 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 -10.683 1.638 15.432 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 6.110 -4.415 -13.086 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 0.457 -1.697 -0.665 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 -7.556 -1.851 -5.668 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 7.080 -3.610 -0.557 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 -0.824 4.922 -1.784 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 -4.186 17.353 7.605 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 -3.080 -20.738 -6.783 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 3.330 3.583 -1.612 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 18.416 8.825 -5.200 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 2.300 -2.015 -1.556 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 0.635 4.190 0.032 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 44.350 -31.993 -6.600 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 -5.675 -17.803 -9.235 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 4.955 2.679 -0.338 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 -0.644 11.286 -18.735 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 -24.182 -13.833 -33.302 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 -1.254 -4.924 5.645 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 5.805 1.319 5.338 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 4.845 3.993 4.449 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 -2.597 -5.010 3.702 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 -10.358 0.919 6.508 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 -7.343 2.185 5.770 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 -1.286 0.955 -2.669 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 5.599 19.833 -35.717 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 -30.485 8.572 10.829 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 2.854 0.022 -0.643 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 3.651 -2.181 -25.988 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 12.837 -3.501 12.495 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 2.043 -1.158 -5.498 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 -24.698 -1.251 -8.230 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 -4.777 -1.460 10.846 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 1.843 5.522 2.424 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 1.224 2.095 11.996 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 28.760 1.598 3.416 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 -3.607 -2.088 -4.327 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 -2.592 -1.706 -0.999 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 1.259 -1.244 9.987 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 4.958 -3.656 4.052 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 6.728 15.328 -12.691 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 0.172 4.064 15.365 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 -0.509 -0.907 -7.386 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 10.320 11.145 -18.808 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 -0.420 -2.203 -1.598 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 -2.808 -4.347 3.850 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 -24.902 -3.474 7.102 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 8.644 -3.445 -20.729 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 -3.151 -6.526 2.504 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 15.676 13.251 -15.664 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 24.569 3.689 12.871 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 1.041 3.282 5.306 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 -18.820 3.059 -0.624 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 17.647 -4.267 3.932 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 -0.433 4.768 -2.169 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 -0.448 4.952 -3.078 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 -0.397 4.497 -1.945 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 -5.419 5.003 1.478 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 -14.498 -9.843 -0.326 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 -9.437 -6.539 -8.308 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 -4.023 2.769 -2.476 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 -18.317 7.023 0.914 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 -3.235 17.541 3.371 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 0.834 -5.219 -2.514 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 0.876 -4.779 -8.041 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 -3.411 -12.488 -9.769 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 0.601 3.345 -4.986 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 8.152 7.890 7.311 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 -3.801 1.547 9.744 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 3.735 3.745 0.445 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 8.518 -10.301 0.581 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 0.969 11.434 -28.915 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 -1.051 -1.890 -0.174 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 0.727 10.506 -7.299 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 3.165 -1.553 -6.930 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 2.962 -3.765 2.900 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 24.881 -19.621 15.969 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 4.658 -5.447 1.055 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 1.982 3.307 1.948 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 -0.865 -3.815 10.583 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 4.192 -13.206 -5.737 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 8.653 -4.456 4.541 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 -38.022 2.210 -2.044 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 39.651 8.526 12.362 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 5.866 1.893 10.143 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 -4.570 -24.035 -4.289 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 -1.163 10.677 -21.758 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 -0.466 3.065 1.264 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 -12.332 9.214 20.418 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 -0.904 -11.100 -1.187 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 -4.624 0.863 -1.665 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 -16.178 3.607 -1.295 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 -1.384 3.772 -3.691 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 -0.670 -4.954 -0.696 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 4.501 -4.299 6.757 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 0.591 -0.549 7.979 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 -5.353 7.775 -4.490 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 -3.685 6.933 -8.135 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 -1.013 -6.593 -4.154 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 1.795 3.402 0.201 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 4.586 3.507 -6.169 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 -10.687 1.774 10.412 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 1.685 -1.294 2.593 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 -4.948 12.472 9.216 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 -0.860 3.072 1.044 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 -1.889 -1.823 -4.026 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 -7.752 -10.141 -5.466 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 -7.046 -3.722 -3.561 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 -3.092 6.616 4.935 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 5.126 30.059 16.795 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 -3.267 0.564 -2.927 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 2.620 -1.964 -1.789 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 -13.838 5.818 3.677 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 -8.638 14.797 -2.997 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 -9.914 -6.026 6.465 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 -11.491 -9.504 8.136 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 2.787 1.897 -10.179 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 0.008 -0.151 4.886 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 1.722 3.669 -6.309 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 -2.326 -1.513 -2.115 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 -4.214 5.564 3.904 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 -9.722 7.284 -17.333 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 -11.939 7.913 -21.899 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 -0.333 5.229 5.099 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 -8.975 3.076 13.706 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 -1.150 3.354 -5.534 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 -0.661 -4.501 -0.293 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 -7.446 -2.885 -8.002 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 12.360 -11.419 0.689 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 -3.977 0.005 -3.453 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 -4.297 -21.399 -1.196 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 11.781 6.196 9.031 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 -7.115 -6.052 4.808 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 12.180 -6.287 -2.752 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 -1.574 -9.210 -1.289 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 -0.276 2.024 2.714 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 -12.587 6.566 -10.813 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 2.590 4.178 -3.984 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 -1.772 2.528 -1.538 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 -11.132 -0.255 -3.058 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 4.741 -1.817 2.788 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 0.491 -5.707 -2.475 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 -1.344 -4.528 -2.145 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 -0.998 15.895 34.976 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 -11.486 0.294 -0.978 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 9.948 14.710 12.752 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 13.164 -21.856 6.814 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 -3.904 -0.923 1.292 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 -9.039 19.869 -8.264 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 -5.056 9.666 -3.015 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 -1.655 -2.711 -4.113 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 -4.743 5.622 -0.072 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 -8.311 -7.345 -8.400 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 -0.860 5.374 -3.058 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 8.066 -10.658 -17.421 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 9.251 11.834 10.053 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 -1.166 5.902 -2.232 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 5.399 19.880 -8.876 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 18.392 1.202 16.197 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 0.153 -6.539 -9.586 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 11.822 21.541 -21.243 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 -15.184 -2.883 7.380 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 4.903 9.147 -1.013 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 -3.281 -2.049 12.643 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 -9.176 29.138 -3.584 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 -4.361 -8.133 0.269 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 -13.371 -11.342 -6.674 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 -1.598 2.908 3.298 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 -1.258 4.282 -3.993 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 14.401 9.520 4.015 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 -11.938 -4.728 8.983 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 1.408 1.447 -3.021 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 -3.622 -2.028 2.155 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 6.756 6.468 6.517 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 7.811 -2.270 -2.268 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 19.387 2.590 3.136 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 22.034 16.703 9.455 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 2.197 -1.259 5.906 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 -9.818 -10.861 -5.150 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 -14.362 2.223 10.570 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 0.482 -1.688 -3.635 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 -5.349 -1.469 6.010 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 -16.972 0.221 39.944 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 -3.177 -2.234 1.207 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 -4.254 -1.629 1.092 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 0.955 -1.051 -4.979 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 -4.556 1.374 -5.721 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 -5.096 0.189 2.338 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 -0.368 2.617 -5.662 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 1.174 -9.600 4.802 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 7.392 -0.339 -0.681 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 -0.474 -2.907 3.557 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 3.935 -2.441 -5.622 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 9.780 -21.880 -1.368 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 -3.685 -5.121 7.828 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 6.959 0.226 3.385 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 3.498 11.665 3.410 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 17.592 1.343 -1.937 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 -0.510 2.603 -0.345 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 -6.763 7.180 3.357 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 -5.355 -1.491 -7.523 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 2.622 -7.259 -1.350 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 -12.253 -15.158 -20.679 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 6.157 -5.075 3.344 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 8.314 -4.923 3.297 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 -8.527 -10.481 7.702 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 -15.717 -1.621 -29.584 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 5.960 -4.078 2.151 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 6.705 -6.060 -19.005 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 0.889 1.241 35.794 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 0.632 5.752 2.845 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 13.048 1.150 -1.763 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 -1.662 6.821 2.017 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 -5.470 2.421 -2.644 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 8.178 -7.766 -13.894 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 -14.041 4.860 4.606 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 -1.655 4.293 -0.281 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 -11.634 13.769 -11.585 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 -1.409 7.470 11.642 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 -1.447 3.129 3.336 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 -4.985 -1.655 3.741 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 -3.941 4.517 4.128 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 -5.006 0.776 -5.272 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 -5.185 2.097 2.403 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 -18.097 -10.152 8.086 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 -2.896 0.659 -1.429 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 -1.252 -0.839 5.979 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 -4.860 -2.812 2.334 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 -3.224 -0.654 -7.370 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 12.143 7.850 -3.494 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 2.530 -13.212 -0.898 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 -2.505 0.379 -2.073 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 5.882 -7.076 10.313 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 -3.625 8.374 -7.006 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 -0.942 2.884 -3.071 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 -5.694 6.606 11.630 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 -6.796 -11.958 -8.044 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 -0.919 2.250 -2.424 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 -9.670 -29.727 -26.252 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 -4.960 -10.614 -15.589 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 0.589 0.575 -0.684 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 0.709 9.003 -4.065 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 9.628 -14.401 -9.352 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 4.646 -2.313 5.967 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 8.903 15.911 5.660 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 -18.459 -29.521 13.317 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 1.125 1.645 1.776 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 11.913 24.521 13.196 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 -3.548 -17.667 -6.787 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 2.564 4.868 -0.641 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 -4.232 6.926 -3.542 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 13.760 -10.221 9.320 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 -3.020 2.360 0.837 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 -4.538 4.351 -0.465 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 0.192 1.439 -0.002 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 6.178 1.182 -4.143 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 9.361 25.824 -12.260 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 4.682 -12.317 0.295 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 0.526 -0.329 1.469 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 11.415 9.633 0.534 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 -6.225 -4.332 2.755 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 10.155 0.822 -2.497 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 25.927 -4.371 -2.476 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 7.550 5.150 15.415 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 -3.358 0.846 -7.847 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 9.030 -0.701 11.520 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 -23.637 7.686 -2.705 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 0.244 -0.327 -2.158 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 -6.078 -1.508 -7.275 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 -1.370 -14.934 8.099 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 2.995 -4.939 0.735 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 13.035 -8.137 21.147 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 3.456 -5.400 1.087 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 1.598 0.829 4.044 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 1.473 28.915 8.203 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 9.194 -16.713 -12.981 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 -1.528 4.834 -3.266 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 -18.720 2.157 -8.608 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 1.012 0.943 -6.640 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 5.511 5.433 -3.883 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 20.462 35.213 0.040 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 -2.794 -13.436 -9.269 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 2.846 5.591 -5.091 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 -1.484 -14.926 13.203 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 -0.197 -0.771 -11.327 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 -4.351 -8.100 -1.856 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 9.273 -13.836 0.530 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 -15.214 -1.536 -5.729 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 -4.706 0.782 -3.780 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 6.350 -5.905 -2.639 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 -9.163 2.477 12.521 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 2.110 5.301 -1.144 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 0.993 0.743 3.954 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 4.154 11.968 11.627 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 -2.450 -4.823 -3.145 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 -10.198 -8.266 -22.888 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 -0.522 -17.193 4.385 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 0.176 -7.001 -1.693 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 -1.181 -11.320 -5.118 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 -0.495 -16.486 6.230 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 -0.143 -0.239 5.427 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 15.121 -8.377 23.742 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 -16.655 1.650 5.668 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 -0.256 8.354 -2.798 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 0.861 5.200 -5.619 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 -3.392 8.678 -1.853 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 -0.041 3.358 0.061 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 -18.702 1.689 -20.141 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 2.195 1.607 -13.408 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 6.966 -0.297 2.548 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 -8.673 0.163 -1.112 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 8.137 -7.468 -8.089 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 5.414 -8.595 -1.996 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 26.637 -30.001 -2.751 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 12.177 6.987 19.962 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 -2.415 3.744 -4.792 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 -3.996 4.766 -3.373 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 -3.042 2.505 -6.738 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 1.274 0.124 -0.956 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 4.362 22.929 1.432 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 5.256 1.080 -2.581 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 -1.410 0.339 0.281 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 -12.018 -1.998 12.176 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 -7.468 12.719 -0.566 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 5.517 -2.707 2.687 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 -7.327 -3.373 -8.130 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 19.822 2.979 -5.748 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 2.906 6.748 -4.079 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 6.617 -9.855 -25.772 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 0.581 11.733 6.139 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 6.776 0.419 6.110 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 23.127 -3.475 -12.923 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 11.428 -3.076 -6.872 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 -3.935 -0.167 7.048 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 -7.499 8.041 1.325 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 -1.891 -4.262 14.299 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 -2.223 4.048 0.476 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 11.959 4.391 20.451 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 1.262 9.881 -13.607 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 -2.710 1.315 0.935 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 -3.589 9.643 -1.783 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 0.500 -0.184 7.825 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 8.614 2.777 3.107 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 17.197 14.696 -1.034 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 17.905 -11.612 2.522 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 2.556 2.316 1.629 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 30.529 -7.654 4.999 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 -2.422 1.074 21.071 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 2.767 9.078 -7.376 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 0.990 13.055 1.441 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 13.435 2.437 2.361 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 -4.842 -0.663 -2.078 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 -9.007 16.751 6.311 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 -3.271 -5.463 -3.941 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 0.083 -2.316 -5.242 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 -2.268 -5.664 -8.965 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 5.274 -5.611 -6.459 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 -4.241 5.865 -6.625 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 -11.877 -9.061 -0.582 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 -1.475 4.175 -5.485 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 -0.128 0.515 -0.919 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 -4.632 3.020 -0.129 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 -2.690 -2.964 -1.996 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 -1.882 3.664 -3.985 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 -2.081 0.654 16.526 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 -7.662 -5.976 -4.409 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 2.973 3.509 3.401 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 -21.411 -19.577 5.944 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 7.629 -18.848 27.777 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 5.818 -1.857 -1.274 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 -7.830 -26.827 -10.523 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 1.801 -8.776 -4.590 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 2.756 -2.445 -3.632 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 32.933 8.487 -11.898 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 8.540 -0.830 -5.340 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 0.174 -5.560 4.555 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 5.041 4.063 -2.336 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 1.152 -3.791 1.906 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 -2.025 1.091 2.967 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 8.662 2.412 13.300 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 -15.788 2.684 -4.683 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 1.756 8.525 -3.759 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 -7.013 -10.081 7.249 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 1.004 4.375 -20.829 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 -1.960 0.064 1.680 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 4.177 -15.719 -15.513 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 -0.997 11.899 11.241 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 -4.429 -1.557 -3.290 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 -4.537 28.108 -2.495 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 11.755 -8.569 24.494 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 -4.899 -1.291 -1.345 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 -1.067 0.399 4.662 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 -9.365 -0.772 -11.519 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 -3.966 -2.558 -0.312 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 -15.676 -0.462 -21.387 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 -14.162 24.401 -3.740 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 -2.510 1.699 -2.711 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 7.075 2.334 -0.990 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 -12.479 6.302 3.675 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 1.004 -2.455 -1.149 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 4.040 0.419 1.044 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 -9.668 -0.109 -9.664 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 13.624 6.183 -0.972 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 9.877 2.742 1.075 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 3.468 -3.394 8.310 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 5.701 -5.695 -3.364 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 3.802 -13.732 -4.596 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 -0.183 16.411 -15.063 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 -2.301 1.760 4.947 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 -13.798 14.264 14.756 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 8.883 -8.778 -6.560 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 -13.764 4.042 3.564 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 -8.671 8.088 -9.094 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 2.289 12.839 6.912 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 4.328 -5.410 4.845 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 -6.625 -7.615 1.544 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 -0.942 5.321 4.304 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 -5.582 -4.865 -1.602 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 -18.932 -8.933 -14.650 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 14.385 -4.363 2.525 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 -2.580 -5.418 1.555 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 -15.833 -6.021 -21.844 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 15.372 9.937 -6.977 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 -1.830 4.278 0.966 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 3.383 -1.911 2.961 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 -1.651 2.299 0.911 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 -2.641 -1.099 0.047 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 -5.766 6.682 8.975 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 -15.942 -1.567 -2.285 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 0.425 3.700 4.862 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 4.518 10.299 4.634 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 -12.194 -14.172 2.223 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 0.327 0.682 -4.127 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 -7.407 -16.006 -15.638 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 -7.526 -6.364 -1.225 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 -2.137 9.526 -4.383 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 -1.956 -0.821 -3.808 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 -4.968 12.949 -13.024 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 -4.666 2.205 -5.297 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 -2.685 12.431 7.253 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 -1.106 -3.183 2.419 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 -5.258 -4.567 0.141 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 -3.390 -5.019 -0.430 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 31.346 -13.690 -4.647 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 0.667 -5.695 -2.136 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 7.496 4.561 14.635 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 3.013 6.616 -4.471 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 -3.526 -2.841 -3.231 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 4.977 13.841 -5.592 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 -14.688 -31.603 -12.122 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 -8.005 -4.625 2.025 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 2.004 -16.844 12.458 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 0.734 -13.692 7.630 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 1.140 3.757 -3.104 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 9.218 18.882 -17.978 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 -1.976 3.989 1.208 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 -4.585 1.976 -0.831 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 -11.250 -6.120 15.624 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 2.932 12.650 4.880 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 -2.102 0.576 1.646 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 -0.561 -9.235 17.754 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 5.979 -16.734 11.262 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 -9.219 8.234 0.007 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 -10.103 1.665 14.149 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 -15.839 13.907 -3.025 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 -6.566 -3.678 -1.649 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 -11.752 2.715 1.757 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 -0.069 -14.730 -4.781 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 2.061 0.343 -2.130 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 14.640 14.330 8.756 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 -10.657 -16.026 -10.507 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 -2.606 -5.980 1.684 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 -25.483 -6.159 5.084 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 -5.785 -4.561 -5.298 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 -6.496 0.726 -1.524 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 -4.275 23.559 -8.267 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 -9.311 13.213 16.490 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 -3.082 8.462 3.940 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 1.339 -1.658 4.165 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 9.294 -12.063 1.931 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 -1.159 3.688 -3.773 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 2.839 -4.317 17.080 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 6.277 -7.640 -19.278 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 -4.679 2.706 -0.252 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 -14.443 -13.314 -9.712 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 14.192 2.811 -4.837 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 -1.772 0.648 -2.293 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 -2.970 16.208 5.897 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 8.710 8.563 3.786 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 -5.127 1.074 5.387 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 13.031 -7.570 -4.914 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 8.182 17.979 17.227 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 -3.379 0.634 -2.340 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 -1.589 -2.594 14.748 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 -17.495 -2.357 -6.341 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 2.415 8.340 1.429 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 7.238 18.655 18.093 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 -2.258 -3.434 -16.449 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 1.727 1.940 1.188 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 -15.798 -34.080 5.349 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 -5.196 -9.500 1.732 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 3.879 -2.623 -7.347 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 -4.440 3.686 -10.947 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 -8.070 3.223 -17.636 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 -6.757 1.723 1.302 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 -22.046 21.288 -5.004 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 -1.449 -16.239 -20.029 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 2.835 2.485 -2.750 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 15.118 6.837 2.025 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 0.871 5.612 -2.699 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 -3.448 -0.373 -3.947 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 1.678 -3.557 4.090 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 6.962 8.120 7.648 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 -0.616 -0.442 -0.260 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 -4.231 10.617 16.903 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 -4.801 -2.637 -5.019 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 2.338 -0.681 -1.249 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 19.933 5.819 -21.171 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 4.554 10.622 -23.076 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 0.112 1.029 2.194 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 3.585 -0.165 12.671 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 4.867 -6.683 -2.327 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 -4.301 4.078 7.020 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 3.975 21.848 0.888 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 -10.014 -4.309 12.473 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 -7.070 -4.550 -2.657 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 -27.851 -23.090 5.732 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 -12.151 0.415 -4.564 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 -3.254 7.284 5.184 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 5.729 16.377 17.309 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 -9.795 -9.088 15.306 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 0.702 5.937 -4.648 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 -12.078 -1.203 -23.834 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 10.560 0.820 -12.441 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 -1.046 -0.882 -1.490 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 7.489 15.704 -8.469 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 -18.937 6.251 9.771 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 4.274 0.116 -2.988 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 13.971 -11.220 8.792 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 -23.440 28.051 -9.132 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 4.451 3.724 5.732 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 -9.672 -10.541 -1.230 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 13.977 0.737 1.771 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 2.855 -7.270 -1.385 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 1.747 -16.333 8.413 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 6.384 10.293 15.450 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 3.620 -0.206 3.092 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 6.395 3.236 2.533 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 -2.462 16.281 -0.018 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 -5.036 7.229 2.168 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 2.918 17.096 -7.344 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 -4.756 -3.428 -4.270 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 -0.698 -0.975 8.049 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 -3.171 8.535 24.891 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 -14.219 18.857 5.722 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 -1.483 -4.283 -5.739 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 2.789 8.571 3.573 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 1.465 -15.768 -7.445 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 -1.640 -2.996 1.730 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 5.081 -10.981 1.980 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 -4.881 -2.881 -13.163 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 0.649 0.191 0.586 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 17.511 3.132 8.118 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 -10.969 13.709 -1.948 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 -5.617 4.075 -0.125 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 -14.667 7.514 6.495 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 1.065 3.637 -11.137 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 3.507 -4.467 2.351 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 -19.726 -9.542 30.087 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 -3.794 3.163 3.311 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 -2.045 5.382 2.877 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 -13.618 -5.207 3.397 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 3.291 21.566 -2.108 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 -1.439 3.212 4.241 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 3.431 11.852 6.053 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 8.229 13.280 13.461 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 3.326 -6.225 -3.663 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 6.374 -9.228 -3.866 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 5.187 -3.373 -0.358 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 -4.542 0.137 3.134 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 12.773 16.817 -8.392 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 1.629 1.542 17.193 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 -5.784 -2.695 2.103 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 -6.260 -14.620 -3.130 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 11.489 -5.354 -4.007 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 -2.140 3.885 5.512 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 -3.033 -10.604 1.138 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 20.242 4.253 -0.584 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 -0.372 -0.018 -4.530 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 -10.422 0.019 1.803 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 6.739 0.449 -6.728 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 1.211 7.159 -2.658 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 11.860 6.758 -2.922 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 -2.182 7.273 -3.730 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 -5.319 -1.107 -1.264 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 -10.786 -14.516 -19.237 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 -4.848 -6.328 -11.641 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 -2.064 4.543 -5.455 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 15.976 -9.100 3.211 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 1.604 2.164 -3.306 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 0.961 -0.764 -1.251 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 7.765 -5.813 -5.297 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 -12.062 16.224 9.067 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 -2.493 6.293 -1.271 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 6.333 13.271 11.706 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 6.925 2.180 -14.810 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 -0.671 1.618 -4.193 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 -7.195 11.934 11.697 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 -15.941 6.176 5.247 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 -4.546 -1.041 -0.756 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 6.009 -18.407 27.746 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 -6.760 33.796 -31.626 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 -6.027 0.266 -3.174 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 -7.969 -2.979 -16.350 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 2.744 -23.641 0.096 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 -0.979 -1.356 -0.391 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 -9.775 -6.352 6.335 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 12.149 16.455 -6.192 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 1.001 1.623 5.681 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 -1.101 1.477 -1.166 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 1.655 -3.172 -1.357 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 4.777 3.388 -0.088 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 9.835 5.194 -3.436 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 7.484 -23.744 -9.462 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 8.293 -2.209 -2.442 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 10.992 9.075 -13.477 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 22.541 -5.707 8.329 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 -11.206 -2.353 -0.048 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 1.956 12.634 -16.017 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 11.600 -18.561 4.419 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 -6.240 -3.501 -7.390 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 1.303 -5.684 -1.646 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 3.230 -15.734 19.315 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 0.988 2.579 3.730 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 -5.707 8.589 7.579 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 2.255 7.142 1.465 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 2.699 -7.532 -1.350 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 8.312 11.072 2.447 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 -21.039 -3.312 -13.548 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 -8.791 -2.455 0.564 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 -23.116 -6.235 5.746 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 12.058 -2.217 -2.719 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 1.277 4.908 -1.319 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 -0.935 1.297 5.123 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 3.695 8.286 0.343 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 -4.070 -0.775 8.726 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 4.617 38.452 -9.964 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 -1.023 6.969 5.808 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 2.306 -3.701 -8.594 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 9.761 13.694 22.534 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 10.348 15.064 28.595 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 2.046 -2.673 -2.435 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 16.702 3.634 -5.282 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 13.628 -1.998 -3.581 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 -10.412 -0.356 8.489 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 -19.640 1.539 0.881 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 -6.227 -6.369 3.952 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 -0.764 -2.148 -1.401 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 -23.270 13.709 6.509 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 -18.668 10.068 19.315 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 6.264 3.364 0.905 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 6.936 -3.611 -6.929 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 5.804 -1.344 -8.497 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 4.586 1.669 4.288 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 -10.279 16.346 8.189 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 -15.842 7.427 6.099 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 -5.900 3.406 -3.271 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 -33.124 1.612 -0.541 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 17.317 2.339 5.469 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 3.578 -1.807 -5.085 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 0.626 10.740 -6.929 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 -1.166 3.025 -8.712 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 -5.923 6.127 3.645 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 -3.313 -22.384 13.803 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 -10.815 2.036 5.026 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 0.922 -4.182 2.764 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 1.374 16.349 19.453 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 22.465 40.588 -7.889 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 -0.648 0.819 5.196 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 -9.598 -2.817 -2.410 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 1.753 -2.027 11.921 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 6.269 -1.554 3.499 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 10.011 1.723 -30.092 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 -4.895 -3.783 15.182 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 5.953 -1.523 -5.985 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 -0.447 -6.598 -6.028 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 12.710 3.323 -9.855 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 2.331 0.674 0.122 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 16.388 8.537 -13.396 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 -18.026 -38.075 6.477 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 -2.958 -0.343 2.833 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 -2.102 -1.525 0.610 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 -6.236 2.494 1.815 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 -3.106 -1.485 -1.683 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 11.971 4.116 0.552 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 -4.395 -2.781 -3.891 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 5.102 -0.417 -0.379 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 8.823 -5.486 -8.162 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 6.074 9.209 -2.073 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 1.514 1.357 -1.364 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 -6.710 8.856 9.349 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 -4.344 -5.570 -2.468 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 3.284 1.568 3.889 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 -0.195 10.054 1.509 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 7.719 28.845 7.062 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 2.119 -2.605 3.629 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 -5.594 -12.631 -4.580 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 12.358 15.758 13.323 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 2.856 6.473 -9.909 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 -11.115 7.934 -5.207 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 -17.083 -3.237 -13.624 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 1.298 4.402 -0.297 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 0.056 14.927 18.906 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 6.468 -3.256 -11.749 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 2.636 -0.832 5.853 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 -4.599 -7.825 6.387 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 -16.603 1.941 -6.808 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 -0.116 -4.416 -2.360 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 -25.718 -20.861 -11.448 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 -10.347 -16.247 -3.185 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 -5.584 5.717 0.821 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 -26.540 -8.410 14.433 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 -2.446 4.205 -15.445 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 -4.863 -3.117 0.080 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 1.999 2.030 -9.382 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 3.192 -3.444 10.212 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 -0.148 -3.341 3.620 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 -4.868 22.487 6.395 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 -11.982 -17.776 25.425 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 -3.075 -1.325 0.179 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 -4.808 -5.835 -10.792 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 -14.034 11.042 -4.041 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 6.500 3.030 -2.498 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 -7.984 4.000 -6.877 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 -1.296 -4.497 -12.621 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 2.017 2.022 3.849 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 -2.208 12.511 -24.766 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 10.494 25.830 -14.909 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 -0.915 -5.079 2.578 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 -8.845 0.806 -4.570 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 9.993 0.700 -11.551 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 -0.387 0.496 -3.455 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 3.469 -5.427 4.893 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 6.266 -8.157 14.832 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 1.767 -1.003 9.099 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 -5.485 3.823 16.277 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 1.211 5.974 20.542 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 3.256 9.847 -0.025 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 3.541 1.257 -4.603 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 -6.571 -3.155 6.688 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 -1.453 1.426 5.199 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 11.113 -9.715 5.118 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 -3.153 -3.099 19.121 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 1.357 0.638 2.507 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 23.461 -4.072 -3.399 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 18.135 6.739 2.719 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 -5.031 -1.208 -2.700 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 -1.001 1.555 3.341 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 -8.451 3.975 -12.779 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 -5.037 4.032 0.620 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 30.027 13.923 -12.804 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 -0.897 5.832 -1.078 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 3.151 0.573 -0.610 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 -11.752 19.786 -15.655 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 -18.096 -21.040 -33.375 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 4.761 0.728 -1.181 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 -5.822 -2.667 2.987 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 10.079 -2.140 4.541 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 1.203 -0.680 -3.580 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 0.079 -2.643 -3.612 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 2.400 -2.628 -4.266 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 3.482 -2.525 4.470 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 -18.145 0.245 5.382 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 -6.724 29.402 -10.405 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 -7.674 3.064 4.636 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 -7.414 3.616 3.396 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 -8.202 2.684 4.961 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 -4.042 -6.612 0.617 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 6.478 -4.290 14.110 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 5.722 -5.274 -2.491 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 0.632 -0.896 1.075 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 16.126 -11.692 -9.494 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 -0.625 -6.397 -15.684 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 7.165 -3.295 0.878 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 -9.386 -32.769 7.823 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 15.268 -17.237 -7.425 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 0.766 -1.549 4.232 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 -5.484 2.602 4.349 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 3.167 -5.942 12.980 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 -2.173 2.938 7.168 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 -9.373 9.974 5.081 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 4.986 -5.203 1.724 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 -0.645 -0.243 -2.840 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 -0.492 -0.133 -6.797 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 -7.757 -3.046 9.115 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 1.874 1.824 3.183 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 -4.789 13.108 4.575 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 -2.716 11.314 5.987 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 3.431 -3.244 5.010 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 3.703 3.594 -4.766 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 3.745 -4.578 12.878 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 -1.881 -0.616 1.245 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 6.573 -6.431 20.738 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 -3.992 2.386 0.311 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 4.781 4.893 0.418 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 -0.249 4.377 -1.630 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 3.357 1.380 7.593 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 -7.449 -0.575 2.557 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 0.582 -8.616 20.120 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 -19.343 9.446 -21.029 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 6.791 1.819 2.507 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 4.004 8.751 -9.915 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 -1.226 8.669 -13.081 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 0.390 -1.185 0.251 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 4.088 -4.694 4.704 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 -4.830 -13.625 2.696 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 3.367 -2.015 -2.722 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 -11.335 -5.585 6.099 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 5.191 -0.583 -9.736 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 -2.386 -8.592 -7.371 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 0.217 -14.629 -6.252 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 -12.390 2.897 -3.351 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 5.147 -3.466 -4.691 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 13.129 1.768 -0.406 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 8.309 -5.647 11.547 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 -3.481 -7.138 -5.350 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 0.844 -16.585 -10.259 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 8.838 -0.519 2.269 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 5.281 0.464 4.103 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 21.892 6.064 -7.284 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 -0.057 -18.239 -10.238 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 -4.367 -2.675 3.148 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 -15.439 -2.633 -0.621 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 -29.112 15.354 18.504 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 -2.882 0.608 4.920 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 -8.569 -3.915 3.541 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 14.007 11.656 5.748 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 -4.378 4.883 -5.964 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 -8.537 16.370 11.798 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 1.764 16.719 23.951 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 -7.379 -0.881 1.627 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 2.629 -1.747 9.347 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 7.754 -2.493 12.563 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 2.311 -0.558 4.863 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 13.015 7.973 7.118 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 -18.662 2.452 4.786 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 -3.741 2.685 -3.716 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 17.086 6.056 8.773 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 -18.400 2.804 4.864 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 2.563 3.263 0.753 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 -4.108 -18.033 -5.223 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 12.294 -4.010 14.831 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 -2.712 -2.270 0.105 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 -22.469 10.719 -18.222 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 1.723 21.955 2.094 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 -0.698 5.092 0.794 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 -20.157 19.256 -3.132 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 2.698 6.345 3.738 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 -7.737 5.022 -2.150 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 9.344 17.292 12.151 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 -6.277 4.781 -17.284 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 -4.102 2.830 -2.642 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 -7.342 2.418 -0.532 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 -2.377 11.368 4.280 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 -8.537 2.571 5.475 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 -4.817 -5.175 -5.815 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 -1.186 -1.873 -4.264 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 -4.402 2.834 -1.308 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 -12.867 -4.325 20.042 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 7.227 0.851 -12.193 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 0.099 -0.692 0.050 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 1.108 0.860 -7.653 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 -1.756 1.696 -7.465 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 -2.840 -7.347 4.830 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 -15.835 -2.832 4.602 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 -14.142 -7.592 13.695 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 -5.214 0.723 -1.708 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 7.514 -0.500 -4.006 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 -19.775 -1.185 1.919 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 4.083 -4.018 2.408 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 -34.809 36.960 35.670 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 8.459 -25.470 -1.467 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 -1.627 5.041 -5.705 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 -8.352 9.759 -1.037 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 3.628 -0.748 4.285 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 2.864 0.794 3.463 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 -2.431 -4.209 2.057 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 -7.157 -13.362 2.588 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 1.508 1.925 -2.162 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 6.698 -8.384 -6.333 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 -5.160 7.861 -10.057 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 0.331 -1.207 8.826 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 2.730 -7.448 11.859 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 2.629 3.580 13.060 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 -3.669 -2.379 5.899 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 -1.964 0.572 10.603 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 6.488 12.135 10.378 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 11.707 -4.109 -3.289 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 -2.868 4.951 2.800 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 18.341 -13.887 12.610 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 0.801 0.136 3.055 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 -12.974 0.802 -0.015 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 -9.649 -9.231 10.727 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 -5.704 -2.374 5.276 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 4.512 -0.209 11.472 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 -3.103 -6.065 -2.843 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 -2.922 -7.121 -1.621 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 6.518 9.663 5.556 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 2.123 -30.606 0.890 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 -1.519 1.231 -1.232 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 -10.880 -2.053 -8.120 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 8.126 -7.781 -19.269 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 4.375 4.319 10.220 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 15.419 15.522 -4.466 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 -6.486 -10.374 -1.154 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 -3.060 3.114 5.872 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 -2.448 3.734 4.572 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 -10.443 14.231 0.545 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 -2.811 -11.219 -1.740 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 -2.099 16.401 -2.142 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 -9.094 -27.501 -6.913 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 5.219 -1.120 -3.562 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 1.291 0.436 11.478 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 0.562 -4.061 -12.506 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 4.695 0.841 -1.316 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 -3.078 -8.016 -8.446 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 16.495 17.240 10.780 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 11.661 -2.479 -1.525 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 19.350 -4.071 -7.268 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 -0.275 1.360 -5.354 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 -5.732 -0.950 6.102 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 -6.446 0.528 4.915 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 -5.646 0.476 8.013 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 -1.511 0.279 2.689 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 -22.161 7.097 13.560 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 -9.446 -8.037 2.441 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 -1.259 -0.312 1.046 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 15.333 -3.577 6.633 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 -10.204 -6.606 2.428 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 7.767 -2.220 2.584 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 15.320 6.431 0.001 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 -2.281 -0.958 8.380 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 -4.052 6.258 4.846 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 -17.757 31.084 1.061 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 -6.948 13.846 3.943 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 -1.998 0.325 4.844 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 7.651 0.425 15.183 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 -0.583 1.790 5.337 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 3.326 -8.337 -1.891 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 1.179 -9.373 3.950 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 -6.736 1.800 12.105 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 12.428 4.444 -4.030 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 -0.602 6.172 16.179 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 -13.413 8.271 -17.989 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 -0.760 3.863 8.786 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 -13.700 -5.836 6.609 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 9.226 -4.012 19.419 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 1.487 2.377 0.884 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 -1.187 3.183 -10.863 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 6.076 14.128 2.191 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 -3.012 2.947 -1.274 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 -12.013 3.114 3.903 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 13.894 10.618 -4.228 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 10.395 -2.170 0.639 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 7.530 -9.267 13.884 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 -1.296 6.118 -0.421 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 9.904 -0.417 -2.122 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 8.027 11.204 -3.418 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 15.607 -14.954 -8.658 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 -1.437 1.764 -3.542 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 -2.685 0.819 -9.499 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 2.085 5.028 -3.201 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 4.757 0.879 -12.187 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 0.868 -1.636 -9.044 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 5.989 -4.436 -12.179 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 5.457 -0.193 -2.707 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 15.169 -18.962 13.912 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 -15.500 -8.539 -19.082 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 -0.681 -8.437 -1.979 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 -20.239 -15.590 -2.113 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 17.124 -3.657 12.972 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 6.427 4.715 -2.160 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 -14.465 -2.493 0.399 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 -11.225 -19.278 9.277 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 -5.876 -4.263 -9.566 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 -13.802 9.010 5.592 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 2.019 -9.275 -36.242 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 0.401 4.644 -3.415 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 5.713 2.003 -14.250 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 2.091 12.936 2.944 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 9.815 3.657 12.794 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 12.789 6.521 17.896 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 1.718 3.015 4.949 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 -6.627 -2.365 1.247 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 -7.612 14.899 -12.360 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 -10.431 -18.076 -10.755 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 -0.708 5.702 3.902 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 5.635 1.081 -4.939 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 7.226 26.633 7.625 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 9.983 4.855 -0.419 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 12.740 -8.394 -9.459 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 23.661 -11.051 -8.083 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 1.644 -4.946 -5.961 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 -7.967 1.784 -13.134 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 -16.137 -13.047 -32.039 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 9.336 0.462 4.141 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 -0.708 15.053 -3.926 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 16.271 -2.965 -23.901 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 -2.013 -2.067 -2.858 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 6.417 -5.274 14.640 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 -20.217 4.293 2.679 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 -0.675 5.539 -1.108 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 -4.806 5.301 0.003 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 -1.351 -7.844 4.501 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 -1.903 4.113 -0.718 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 -1.344 -1.124 1.691 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 7.286 1.686 15.770 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 4.820 0.535 -1.368 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 -22.412 17.096 -38.058 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 11.115 2.468 4.641 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 -1.936 6.380 5.913 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 -12.831 -2.957 3.235 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 8.749 -14.046 3.843 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 3.591 0.212 -2.275 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 2.592 0.876 12.876 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 4.229 1.185 -10.759 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 3.032 4.151 -0.680 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 8.635 3.058 3.286 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 -16.440 15.047 19.694 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 -3.725 2.560 2.617 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 -3.723 8.831 23.454 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 -4.678 -2.190 -11.602 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 -1.370 1.564 2.028 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 0.027 -0.017 0.837 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 4.023 0.032 -3.473 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 3.027 -2.088 2.246 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 6.994 -7.027 2.625 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 18.199 42.241 8.322 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 4.695 -7.268 -0.426 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 -1.821 -11.052 -2.311 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 -6.288 8.159 -2.909 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 1.931 -4.199 -1.024 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 24.671 17.729 -25.679 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 8.023 -3.549 2.135 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 -3.912 -2.132 -3.823 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 -13.378 11.059 -9.428 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 1.564 -1.849 0.674 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 0.617 -8.463 -1.587 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 17.652 23.743 29.815 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 -9.871 15.616 -4.563 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 -3.942 -1.623 -2.707 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 13.227 -3.264 -1.229 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 -4.489 11.308 -5.409 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 1.406 6.435 -1.208 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 -3.817 -3.424 10.950 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 0.749 12.151 5.570 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 -3.632 -3.301 1.589 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 2.030 6.614 30.913 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 11.330 -12.869 -27.463 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 3.824 -3.516 -0.265 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 -2.611 -35.867 -18.219 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 -6.050 -9.976 22.667 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 -2.214 -1.151 0.170 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 -14.753 -3.930 -2.777 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 -0.657 -5.010 5.477 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 2.186 0.891 1.510 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 -11.560 -5.855 7.044 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 -8.645 -4.585 7.079 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 -1.308 0.980 -5.951 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 -11.786 6.513 7.429 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 8.713 -12.589 1.843 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 5.961 6.780 1.314 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 -8.639 10.833 22.905 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 -10.094 8.441 -13.054 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 3.694 1.718 7.412 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 -9.718 10.620 -9.498 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 -1.766 1.722 -9.082 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 4.188 2.053 -2.532 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 -15.945 -24.595 -14.260 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 -0.538 -7.179 -8.226 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 -2.196 5.927 1.959 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 1.365 5.248 2.012 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 -7.628 7.035 1.465 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 4.545 -4.705 -2.959 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 -18.622 -16.039 -19.055 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 2.518 -15.667 17.962 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 -0.948 2.505 -2.102 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 -2.572 5.216 4.130 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 -12.738 1.407 1.478 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 -2.801 1.633 5.745 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 9.718 -1.278 4.342 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 -7.681 4.790 9.304 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 4.224 0.921 3.177 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 6.334 10.096 -4.637 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 3.748 -3.196 6.192 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 1.147 -0.918 0.566 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 -12.296 -8.721 -8.858 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 10.271 -17.269 -3.084 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 5.198 1.227 1.122 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 -3.909 6.378 -6.753 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 -2.250 0.488 -2.699 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 2.716 -6.157 6.840 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 0.598 -6.631 3.552 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 18.421 -2.946 5.569 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 1.263 -4.579 -1.000 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 6.687 2.793 -23.486 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 2.923 -8.765 2.297 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 2.296 -1.435 4.355 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 -17.844 -10.305 0.675 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 7.327 2.513 4.372 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 0.256 5.484 -0.541 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 -5.841 -20.078 -0.027 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 23.972 -16.853 -9.970 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 2.099 5.654 -5.464 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 -1.086 -1.138 -4.711 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 5.979 3.345 -13.554 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 -3.163 2.835 5.467 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 2.092 6.404 2.250 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 -3.942 4.709 8.252 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 -2.179 4.874 2.825 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 -0.934 6.525 2.698 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 -4.715 -1.485 -3.444 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 -2.652 -3.793 2.075 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 10.708 -15.430 2.309 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 6.599 -0.685 -10.594 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 4.501 -3.022 9.764 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 -0.025 -0.409 5.415 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 -9.886 -12.283 13.398 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 -0.914 1.717 -4.950 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 -1.277 12.921 -12.993 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 -2.867 -1.900 -2.576 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 4.093 -0.914 -6.758 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 -0.038 -2.929 -5.562 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 10.599 -11.205 2.981 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 0.776 -1.378 -0.889 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 -2.238 4.459 15.137 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 -9.883 8.718 -13.297 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 -8.826 1.357 -1.172 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 -11.521 0.707 13.882 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 -5.009 3.213 -26.452 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 6.314 2.573 1.932 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 2.402 15.125 -6.629 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 -14.924 40.552 27.395 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 10.578 -2.240 -3.695 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 24.469 -26.172 -2.524 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 12.185 18.251 -14.781 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 -5.319 -1.500 7.348 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 8.402 -13.441 -1.189 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 10.538 -16.884 -19.584 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 -0.793 -7.588 -2.604 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 -3.402 10.675 5.822 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 -21.764 -1.916 -6.448 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 -4.900 -2.914 -3.800 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 -4.293 -4.281 5.580 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 -7.207 -0.045 -13.788 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 1.354 -2.114 -1.560 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 -2.337 -0.131 -5.641 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 2.013 12.736 -10.510 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 6.259 -3.866 4.167 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 30.841 -6.172 -21.157 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 0.665 -14.585 2.805 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 -1.903 -7.384 -6.162 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 -1.202 -18.576 -1.395 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 5.084 -9.341 -16.127 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 2.826 -5.001 3.589 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 6.457 0.329 -12.897 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 6.626 9.690 9.108 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 1.708 -3.406 3.122 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 14.074 -3.646 1.170 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 9.214 -11.062 2.885 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 -3.391 3.553 -3.133 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 10.761 7.226 2.250 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 -12.889 3.921 9.345 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 -1.850 -3.449 4.381 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 -19.011 -0.102 -7.778 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 9.467 0.386 -4.700 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 -5.896 2.238 -2.908 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 10.111 -20.827 -5.492 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 -2.099 -25.559 5.344 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 4.332 -1.003 3.209 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 2.596 -0.228 6.079 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 4.954 2.841 10.587 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 5.638 3.801 3.311 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 10.822 7.636 12.829 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 9.282 4.396 0.459 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 -5.862 3.325 0.439 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 -11.607 15.115 1.859 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 -5.727 -0.396 5.665 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 -2.585 -4.363 3.945 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 -3.976 10.701 2.704 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 -2.430 -7.485 4.765 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 -0.777 4.584 -3.008 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 0.707 -1.505 6.445 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 -0.638 4.033 -2.041 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 0.758 -5.046 -3.104 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 4.076 6.204 19.433 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 3.886 -6.599 -12.018 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 3.827 2.446 5.816 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 15.939 -6.067 17.815 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 6.039 -12.200 -4.765 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 -4.742 -4.412 -2.768 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 7.988 -3.490 -9.906 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 -6.866 -6.362 2.383 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 -5.657 -4.299 1.167 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 13.094 -7.995 -16.990 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 1.871 -3.608 -4.659 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 0.515 1.065 -6.946 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 -0.248 -12.239 12.019 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 -8.395 1.656 8.710 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 -5.344 0.713 1.356 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 -3.788 5.398 1.658 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 -4.470 2.302 7.428 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 -3.927 4.097 -1.585 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 -4.360 -21.356 19.031 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 1.144 13.591 -7.337 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 1.892 11.805 4.288 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 -7.129 12.066 13.750 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 -5.085 15.437 9.764 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 4.375 5.106 -0.191 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 16.861 3.652 6.180 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 -3.209 2.864 -4.726 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 -5.803 -12.060 -2.069 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 -11.120 -17.002 34.451 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 6.853 -19.820 -16.128 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 6.320 -4.111 0.726 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 4.562 -11.075 -7.471 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 0.541 6.517 -3.709 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 2.997 3.231 0.125 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 5.666 -2.919 -8.513 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 5.961 0.401 -16.335 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 1.021 -5.437 8.331 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 13.241 -13.960 -6.839 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 20.838 -12.384 17.271 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 -2.358 -1.202 0.864 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 8.995 13.533 1.398 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 7.434 -14.150 -11.461 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 1.749 -2.391 3.487 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 18.033 -8.805 -2.216 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 -25.152 21.060 -16.616 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 6.404 -8.028 -3.195 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 -4.126 -12.109 -10.643 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 15.684 -6.888 -4.081 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 -2.587 2.551 -7.665 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 4.327 -7.809 30.218 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 8.720 1.630 12.218 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 3.880 2.011 2.497 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 1.781 -11.871 -6.578 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 -2.137 -3.483 4.374 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 1.451 -0.248 -2.261 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 -12.555 -3.363 3.058 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 16.177 6.699 8.329 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 3.210 0.654 1.016 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 2.108 7.786 -5.445 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 20.575 14.868 18.767 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 -1.875 0.577 0.788 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 13.031 -13.574 10.287 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 -11.816 -8.604 -8.517 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 8.291 -0.013 0.573 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 -9.365 -7.414 -17.399 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 -0.930 -8.128 -8.583 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 0.457 5.488 -5.455 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 7.726 5.876 3.781 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 -9.599 7.768 -25.265 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 0.649 0.267 3.676 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 3.756 -0.544 -0.183 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 -0.506 -6.025 10.883 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 4.570 3.884 -2.098 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 11.526 -6.947 0.535 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 -2.486 12.704 5.389 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 3.892 -1.185 -1.941 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 -1.109 10.088 -17.800 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 2.677 1.612 -4.461 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 -5.085 -8.112 -4.940 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 5.391 -8.099 -24.831 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 0.768 11.014 5.266 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 3.725 -2.011 6.257 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 -7.255 -15.652 -6.263 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 13.322 -0.212 8.304 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 -1.708 1.899 -2.637 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 -0.183 8.488 2.001 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 -9.770 -0.936 1.790 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 -4.391 2.917 -1.491 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 2.560 14.981 9.183 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 -12.424 -7.010 -30.339 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 3.308 -1.347 -0.721 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 -15.170 -10.086 4.320 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 12.187 6.672 7.970 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 -1.444 -2.574 2.599 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 -1.846 -6.539 8.462 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 -6.376 2.802 3.788 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 7.561 -1.570 -0.189 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 -10.751 -6.879 4.599 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 14.811 -9.020 11.198 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 -1.628 2.635 4.575 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 -5.123 1.290 4.806 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 -0.755 2.521 6.824 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 -1.143 -0.422 1.034 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 10.219 5.978 12.784 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 15.972 3.961 -6.988 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 1.326 -5.247 0.417 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 -2.400 5.589 -3.775 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 12.751 13.237 -10.135 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 -3.943 -8.603 -13.585 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 -30.548 -20.339 13.813 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 18.723 0.525 -34.660 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 0.431 4.947 -6.731 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 -20.169 2.583 5.845 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 13.938 -11.687 4.802 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 -1.381 -1.484 -2.134 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 -0.699 -13.352 -4.450 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 7.271 5.481 -2.414 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 -4.765 0.050 -7.345 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 -11.473 1.483 -25.422 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 -4.871 -12.846 -5.087 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 -2.439 -3.593 -1.269 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 -6.572 0.332 8.615 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 -7.655 -1.660 6.190 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 6.066 5.431 -3.644 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 -17.999 -7.422 31.571 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 6.801 -11.162 -2.650 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 -0.710 -4.767 0.083 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 2.422 -20.286 22.266 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 -4.773 6.223 -13.032 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 -0.646 -0.519 8.799 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 -2.642 0.881 -9.507 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 -17.835 -2.540 15.572 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 -0.295 1.702 -3.258 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 6.356 -2.658 1.838 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 -17.178 0.962 -3.051 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 4.278 2.171 -3.320 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 18.264 5.854 -0.211 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 -1.752 1.580 -3.542 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 0.117 -3.296 2.571 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 -13.807 -9.395 -13.113 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 17.658 4.094 -1.511 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 8.022 -3.733 -0.461 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 -15.730 -18.858 -3.593 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 0.293 5.128 12.190 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 7.540 0.825 -2.894 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 10.753 -0.095 -11.275 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 -16.361 3.368 -7.783 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 0.788 2.155 -2.908 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 -7.585 0.250 -10.360 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 0.452 -6.846 4.980 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 -3.948 1.831 -2.070 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 -5.569 -4.203 -15.641 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 -1.094 7.688 -5.562 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 1.786 -5.113 1.014 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 11.899 0.232 -8.269 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 -23.455 1.508 -0.862 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 -3.862 -1.756 3.452 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 35.818 -7.630 -4.302 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 4.491 -13.461 -8.399 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 -2.314 -0.193 -5.024 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 5.714 4.611 8.821 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 -7.002 5.144 -19.465 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 2.567 2.410 -1.831 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 -5.124 -6.846 -8.415 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 -7.411 -9.153 -11.125 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 -0.670 14.297 -2.281 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 -30.308 7.973 -24.454 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 -2.539 -13.256 2.387 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 -5.413 5.319 5.402 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 -13.112 -6.046 8.586 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 -2.695 21.281 -0.260 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 2.156 -4.820 -7.314 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 4.998 -13.822 -2.604 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 0.537 1.447 -22.711 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 -4.024 -3.177 -9.719 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 -26.028 15.491 -16.807 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 20.678 7.070 8.566 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 2.973 4.816 1.137 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 -4.055 11.043 16.976 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 16.168 -5.290 -14.142 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 6.972 2.032 -2.492 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 20.997 3.275 -18.274 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 -20.884 -20.707 14.722 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 5.460 -2.211 0.546 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 5.859 -22.728 -8.738 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 9.841 15.102 -14.680 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 -2.495 1.048 -0.960 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 -12.974 -5.960 -12.615 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 -7.657 -3.167 -1.850 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 -7.838 2.139 1.164 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 1.726 10.315 -0.698 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 -5.978 -3.355 6.588 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 3.783 -0.177 1.348 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 7.774 2.326 4.226 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 -7.584 0.862 20.891 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 3.266 -4.091 0.285 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 0.235 -2.708 -5.252 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 1.791 -4.020 21.715 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 -0.278 -3.596 -1.360 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 0.064 -3.182 -4.864 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 -0.278 -2.373 14.422 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 -1.721 0.176 -0.873 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 -10.198 -22.346 3.343 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 3.953 11.466 -1.874 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 1.248 -8.250 -4.586 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 -3.025 -2.566 10.173 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 -8.029 -4.385 -4.403 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 -2.702 0.359 -2.201 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 -5.928 37.698 -29.926 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 40.333 5.740 17.783 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 3.947 4.226 -2.629 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 4.979 -15.415 -2.764 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 5.210 37.783 -3.996 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 1.517 -3.438 0.710 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 -7.005 7.730 -0.707 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 1.569 -3.500 -3.045 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 6.076 1.142 -0.820 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 2.569 10.116 -2.890 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 24.561 9.505 11.265 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 -3.350 4.395 -2.691 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 -1.787 2.489 -4.015 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 -3.476 6.468 -4.414 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 4.329 1.674 3.273 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 5.929 -4.753 2.691 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 4.256 -3.514 -3.153 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 1.177 5.750 1.378 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 -13.681 15.090 -3.218 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 -5.078 -8.042 12.400 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 8.112 11.331 2.003 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 9.623 6.964 -11.556 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 11.469 8.312 -7.075 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 -3.784 -3.843 1.171 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 -0.551 -20.184 -22.184 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 2.854 2.786 -12.129 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 2.103 1.930 -6.757 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 12.847 -2.392 -12.803 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 -0.330 0.005 1.825 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 -2.052 1.468 0.552 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 6.242 14.251 -4.030 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 -0.346 0.649 -4.072 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 -1.310 1.086 9.736 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 0.331 -6.248 18.507 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 10.578 6.610 -23.321 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 -6.543 0.071 3.200 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 -4.492 -0.583 13.977 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 -3.885 2.829 3.676 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 8.524 5.955 2.678 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 6.575 7.195 -1.823 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 9.095 3.076 4.667 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 0.862 4.864 -8.236 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 -1.193 4.097 -10.215 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 2.649 4.022 -5.930 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 -2.825 -7.357 1.560 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 -2.160 -6.087 -0.367 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 -2.419 -10.082 2.241 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 10.819 -3.499 -7.346 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 4.451 -13.611 -17.974 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 12.265 -7.453 2.950 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 0.670 -1.326 4.650 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 -2.305 -12.904 -7.079 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 8.233 -7.246 15.000 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 0.135 -2.378 -3.471 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 -5.849 -9.452 -7.697 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 8.760 -1.611 -7.492 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 2.224 -0.613 -1.430 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 3.316 -3.873 5.926 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 -1.040 14.148 5.583 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 9.479 2.692 0.626 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 -19.359 26.097 -5.114 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 -12.439 -2.607 -5.696 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 -2.610 5.481 -8.419 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 -3.141 6.900 -13.886 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -7.186 6.006 12.947 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 2.335 -1.398 1.370 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 6.121 -5.967 3.342 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 -8.014 5.520 2.137 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 -0.917 1.955 -2.577 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 -3.945 6.299 14.629 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 13.925 6.037 -3.413 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 -4.683 5.651 1.478 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 -11.065 14.097 -7.075 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 -17.779 14.285 8.038 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 -3.866 -0.992 -3.916 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 1.327 -10.749 11.036 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 -10.501 6.303 2.376 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 -1.143 0.561 -0.129 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 -8.237 2.731 -6.095 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 -5.397 6.003 1.192 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 -3.951 -1.725 3.677 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 12.723 2.126 -2.331 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 24.530 -8.229 14.419 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 0.739 1.537 -1.584 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 12.592 7.564 -20.561 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 -12.664 -19.809 -1.653 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 4.252 3.394 7.004 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 -32.856 -4.745 -3.844 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 -3.693 11.444 7.926 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 -2.834 0.617 -0.613 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 15.758 3.223 -6.611 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 -8.137 14.032 -8.939 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 6.535 3.068 -2.687 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 6.881 -0.687 5.412 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 1.138 -5.117 -0.339 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 4.912 3.530 -0.186 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 -13.473 -1.670 -16.804 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 -1.882 -2.869 14.260 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 0.815 -2.781 -1.587 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 2.507 14.547 -4.885 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 -2.447 10.495 14.682 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 1.346 -2.473 -2.520 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 -9.805 -2.773 -4.104 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 -11.210 10.065 -13.201 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 -7.445 1.033 1.173 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 -23.041 -13.569 -0.198 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 0.874 6.608 2.440 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 2.309 1.012 -1.502 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 -0.215 -2.563 -3.506 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 -10.679 -20.879 -14.948 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 12.358 11.704 -2.995 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 26.656 -12.058 6.774 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 26.898 8.085 1.771 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 -0.376 -0.399 3.065 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 8.947 10.623 -1.313 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 20.364 31.422 19.543 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 5.469 -5.986 -4.201 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 -16.608 -7.167 -1.420 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 8.914 13.576 0.552 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 -0.878 -0.381 3.477 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 -5.717 35.025 -8.986 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 2.324 -7.347 5.361 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 1.305 -3.077 2.506 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 -24.204 20.675 -19.534 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 21.487 -21.879 13.487 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 1.965 -4.722 0.829 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 -5.508 -3.577 0.318 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 -0.233 17.280 3.383 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 -6.719 -0.662 8.401 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 5.827 7.098 2.926 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 -3.276 0.402 6.235 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 1.039 0.169 -2.761 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 -3.253 2.875 -5.262 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 -8.279 5.543 -9.004 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 4.169 -2.645 3.134 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 -14.433 -10.685 11.936 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 -6.407 -1.994 15.520 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 -4.112 0.838 -1.675 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 -19.985 -8.013 -4.086 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 -6.265 8.410 12.813 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 -9.365 5.322 1.388 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 -2.331 -2.910 -1.455 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 -9.038 -0.021 9.925 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 -6.697 0.064 -1.836 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 -7.437 9.062 -8.218 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 1.581 6.626 5.407 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 1.912 -3.653 -3.222 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 -11.271 -17.086 4.645 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 -2.599 0.668 -7.124 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 -0.117 -8.294 1.301 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 2.223 -1.976 -7.741 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 2.272 5.397 -15.073 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 3.712 -0.044 -4.043 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 -14.084 6.131 8.834 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 -8.643 8.532 14.094 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 -3.104 -4.184 3.340 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 -1.926 28.288 11.335 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 0.964 -23.046 -21.497 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 7.134 -0.448 0.231 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 -4.024 -13.827 1.989 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 13.134 11.716 1.095 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 0.041 -4.918 -1.214 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 0.441 -1.119 -7.957 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 19.781 -20.902 -8.954 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 6.096 2.917 -2.850 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 24.554 -11.512 2.270 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 -9.230 -10.066 -13.822 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 -2.034 1.151 1.467 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 -1.371 4.900 22.296 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 -6.774 -18.748 18.809 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 4.323 2.802 6.502 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 -6.740 18.073 5.699 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 1.162 1.301 23.360 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 -6.474 1.881 3.507 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 1.379 -3.755 10.328 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 -14.691 -9.192 -8.248 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 -1.562 0.760 2.818 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 -4.298 -4.210 2.226 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 -5.786 -2.439 15.091 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 -0.717 -3.016 -0.874 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 15.578 11.514 21.403 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 3.546 6.881 -5.123 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 -2.850 4.163 0.638 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 -7.235 -23.713 -27.748 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 9.957 -0.491 0.171 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 1.867 -4.939 -2.297 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 16.704 -17.371 -13.622 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 4.696 -11.641 -10.831 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 3.655 0.560 2.827 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 4.496 -6.708 29.674 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 13.668 25.853 -1.554 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 -7.919 -0.719 0.165 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 -9.334 3.709 3.464 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 7.346 1.922 -21.320 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 -3.391 5.327 -6.303 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 -8.199 -0.397 8.492 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 -1.468 7.186 -12.979 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 0.584 -0.264 2.012 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 -4.117 10.380 0.487 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 -14.830 -3.027 1.986 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 -3.409 -4.155 0.864 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 7.484 -1.329 0.221 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 1.084 -7.767 -3.303 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 2.091 -0.395 -4.795 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 -25.790 11.246 16.141 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 -24.033 -12.296 -26.231 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 -1.852 0.681 -5.455 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 18.855 -5.888 11.917 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 -4.416 -4.714 -30.215 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 -1.513 -0.090 -2.045 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 -9.892 -21.431 -16.857 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 -23.900 26.396 -8.340 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 3.106 0.347 -5.594 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 -7.668 -14.581 -10.068 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 -24.238 2.788 1.893 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 1.358 -8.510 0.980 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 14.516 -0.062 2.954 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 -4.685 -9.283 -0.476 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 -5.046 9.467 5.398 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 -4.589 30.629 -36.223 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 17.559 -9.001 17.141 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 0.265 2.939 0.268 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 21.903 3.717 -2.988 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 1.846 1.006 -2.825 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 2.312 -2.003 -2.281 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 -17.195 -6.985 17.241 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 4.940 2.176 0.942 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 -4.643 -1.225 0.051 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 -1.320 7.958 -6.171 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 17.863 -2.752 6.764 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 -4.896 -1.333 -2.773 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 3.827 -32.442 14.514 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 -1.084 13.827 -23.966 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 2.124 -5.230 4.186 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 -17.918 -8.322 8.737 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 -1.316 -1.266 3.513 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 1.479 -0.643 -1.022 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 15.298 14.672 8.165 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 -17.797 5.992 11.480 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 -2.023 5.954 -4.303 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 7.215 7.759 -5.334 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 2.339 5.359 -5.290 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 3.053 1.234 3.401 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 -11.116 23.674 12.411 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 -3.750 11.601 3.517 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 -2.597 0.792 2.057 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 -1.597 -7.852 7.800 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 -5.673 16.071 12.504 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 0.430 -1.692 6.168 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 1.639 -9.808 24.059 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 12.889 2.159 6.987 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 -0.624 1.041 -3.476 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 -1.353 -1.658 1.059 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 2.774 -4.127 9.856 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 7.984 0.003 4.350 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 -9.092 11.954 27.194 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 -13.263 -7.075 -15.728 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 -5.914 -5.184 2.804 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 -7.826 -12.060 -1.790 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 -9.920 10.054 2.650 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 -8.523 1.372 -0.981 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 7.113 -11.276 -6.060 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 -7.940 24.552 -1.960 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 4.303 1.734 8.044 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 -2.500 -1.655 25.308 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 -1.208 -7.801 -7.417 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 -6.699 -4.261 -5.084 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 -3.723 -27.986 -12.630 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 -6.536 -16.668 4.489 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 -1.477 0.665 0.743 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 -16.882 1.873 0.723 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 0.523 3.492 1.012 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 1.710 1.807 2.917 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 3.239 1.376 1.599 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 7.997 12.065 -1.595 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 0.130 -0.244 -2.955 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 3.004 1.554 0.717 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 -6.504 -9.133 -20.764 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 -1.436 1.924 1.195 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 13.018 14.949 11.319 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 -3.859 -10.798 -16.471 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 -1.847 3.162 -5.292 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 16.093 -5.594 5.796 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 -9.812 3.777 11.391 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 -0.806 3.090 0.841 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 14.967 -6.448 7.382 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 7.780 22.456 0.896 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 -2.372 -2.481 -0.155 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 -22.577 16.446 -2.774 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 11.658 -10.507 -3.800 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 0.026 -0.646 -1.233 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 -4.494 2.187 -18.275 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 -1.212 1.070 -9.265 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 0.239 -4.883 0.925 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 -3.104 -16.206 16.566 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 -3.899 -1.292 16.409 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 1.329 1.815 -5.411 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 10.905 -5.755 -9.785 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 -26.567 10.970 -5.246 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 -3.936 3.737 -0.884 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 1.642 8.913 -6.380 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 5.274 10.297 -12.307 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 0.718 -5.017 1.436 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 7.697 -4.992 11.685 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 -1.495 9.312 -19.063 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 0.514 -4.847 -8.621 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 28.076 36.919 1.352 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 -5.532 -16.234 1.664 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 -7.449 4.488 -1.350 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 12.664 -0.269 -3.667 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 -3.188 0.161 4.877 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 -1.877 -9.988 -3.351 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 3.820 17.310 -8.159 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 25.507 -15.376 -17.398 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 -4.893 -2.140 -11.802 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 9.119 7.531 -9.094 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 -17.809 -28.171 -22.335 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 -1.473 4.042 -0.204 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 10.029 -1.460 0.840 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 11.066 8.967 -23.083 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 -1.287 3.101 1.955 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 -5.924 0.180 -12.267 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 -1.142 4.109 7.940 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 1.350 3.250 2.395 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 6.376 -18.125 2.713 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 -5.188 31.769 2.007 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 2.233 7.145 3.549 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 23.141 -16.902 3.256 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 -19.381 0.447 -6.967 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 -6.583 -2.128 1.857 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 2.262 1.042 8.647 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 -18.818 1.051 1.821 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 -2.303 -3.230 1.125 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 4.238 4.239 7.273 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 -12.826 3.263 0.994 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 12.946 0.526 1.052 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 1.057 4.223 3.028 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 11.888 2.205 0.586 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 2.086 -1.000 -1.879 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 4.325 0.612 -11.339 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 14.102 1.439 -13.313 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 -5.094 2.043 -5.533 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 -12.639 12.260 -13.796 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 -10.147 2.792 -17.685 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 -3.387 2.477 -2.948 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 -7.109 -8.579 -1.986 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 -2.492 -8.677 13.204 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 -5.498 1.599 6.190 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 7.078 -11.241 11.878 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 16.773 -20.236 12.200 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 4.150 2.444 -2.391 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 -12.295 2.860 -13.863 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 -9.574 6.320 12.247 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 -1.569 0.472 1.248 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 1.260 -0.548 -4.341 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 -8.800 11.778 10.228 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 -8.126 -2.230 -2.434 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 3.775 -1.138 2.896 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 24.908 0.173 1.852 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 2.461 1.533 0.600 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 -1.957 11.848 -9.890 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 19.032 15.033 -15.669 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 -1.826 -4.340 -0.491 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 -1.712 -3.030 -5.579 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 9.826 -28.382 -18.385 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 0.777 -1.040 0.042 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 11.389 3.872 5.005 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 3.785 -13.697 3.382 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 1.592 3.985 -0.500 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 0.991 -8.067 -9.411 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 4.489 17.840 13.303 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 -0.622 3.374 -1.604 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 -8.252 6.756 -0.821 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 2.765 -10.640 -14.385 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 1.709 -0.653 -5.509 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 3.955 3.103 -27.629 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 14.526 11.960 -2.090 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 -1.134 -5.676 0.191 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 -8.259 16.700 5.190 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 -18.434 -17.817 -4.683 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 -4.748 2.290 -2.846 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 -7.149 2.543 4.042 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 -9.443 0.048 -7.299 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 7.677 -1.906 0.344 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 5.657 9.052 -16.047 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 11.674 -26.352 -0.614 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 0.634 3.327 -0.123 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 27.172 31.859 -23.623 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 -9.891 -7.015 6.433 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 3.189 3.808 2.107 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 10.661 1.812 7.493 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 -5.667 9.846 1.776 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 6.485 -1.303 10.126 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 24.885 -11.609 -2.318 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 -11.893 7.620 -7.394 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 8.506 3.433 5.233 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 5.167 6.550 6.588 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 12.238 6.332 9.427 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 1.358 4.899 -4.088 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 -0.165 8.157 -2.398 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 1.347 -3.979 21.212 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 -1.883 3.365 -5.101 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 18.103 -16.783 12.160 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 -1.105 1.241 -4.238 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 -0.504 3.589 2.200 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 -8.590 9.015 13.540 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 10.850 -4.164 -14.554 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 4.193 -0.636 4.946 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 14.145 25.558 2.459 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 -0.446 4.509 15.959 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 -1.137 -0.857 2.801 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 -0.502 -7.790 -9.644 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 -0.633 -2.653 0.677 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 -2.748 1.104 -3.065 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 -8.730 14.681 7.457 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 -0.009 -4.427 -11.677 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 -3.218 5.972 -0.339 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 10.960 -5.112 7.459 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 -16.316 -3.737 -14.557 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 1.645 -0.371 4.472 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 13.786 15.465 -19.393 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 -23.359 -14.491 -4.846 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 -4.587 1.563 -1.147 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 5.220 -11.590 14.822 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 -21.614 15.193 2.690 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 0.902 -4.851 -1.609 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 1.831 -2.025 -2.113 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 -2.804 -17.383 -0.868 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 -0.181 -1.291 -2.392 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 4.660 24.148 16.309 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 6.817 -0.989 -0.052 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 -4.495 -2.632 -6.671 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 -8.988 -7.184 -13.935 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 -7.426 -8.188 -9.929 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 2.677 4.221 -3.360 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 3.388 4.341 -4.837 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 -10.264 1.582 6.291 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 3.306 -2.252 -1.843 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 26.449 -28.728 2.383 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 7.652 3.790 -0.016 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 -7.016 -8.022 -1.199 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 5.873 21.013 -11.941 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 -9.914 -19.525 -0.729 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 4.387 -2.800 -1.758 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 8.285 -10.543 -8.993 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 -17.324 -10.069 -11.315 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 3.025 -0.890 2.220 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 -9.249 -14.039 2.496 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 -8.560 -12.424 3.862 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 -1.883 3.049 4.815 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 2.092 7.515 -0.653 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 14.050 3.452 -8.687 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 2.905 -3.276 0.958 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 7.664 5.322 1.938 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 2.583 0.932 -10.818 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 -2.241 0.661 5.336 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 9.231 -11.734 -3.671 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 -7.711 -14.109 -1.196 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 -2.113 -1.539 0.168 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 16.237 9.997 -35.476 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 3.900 15.613 -14.674 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 -6.640 -3.347 -3.546 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 -13.836 2.998 5.258 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 0.900 -8.569 4.155 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 -6.063 1.945 2.538 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 -6.736 9.123 4.805 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 -1.651 0.573 5.027 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 -5.146 -1.390 0.553 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 -1.131 -3.810 6.957 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 15.851 -6.925 11.219 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 -2.081 -3.326 -4.378 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 -0.857 10.944 6.886 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 4.879 11.160 -4.997 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 8.443 -3.232 0.317 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 2.191 1.741 1.706 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 -3.598 7.195 2.581 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 1.048 6.413 6.831 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 6.743 9.649 7.868 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 -0.134 5.163 11.623 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 3.422 -0.967 -0.618 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 8.808 6.589 11.021 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 -2.375 2.634 2.794 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 -5.018 1.494 -3.285 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 5.496 6.727 -0.123 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 -4.894 3.947 -3.439 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 1.296 3.157 3.700 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 -23.989 -11.973 21.678 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 -11.005 -1.295 25.258 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 -2.883 0.610 2.543 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 19.349 2.463 -6.303 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 14.544 -4.474 7.138 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 -1.221 2.889 -3.617 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 -1.235 13.470 2.348 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 -7.290 2.558 -13.881 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 4.934 -2.081 8.137 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 0.103 -28.247 -10.745 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 3.022 -19.004 20.225 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 -0.624 -5.035 -1.713 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 -16.957 -3.700 21.139 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 11.794 5.969 -7.612 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 -2.196 0.506 3.425 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 -18.000 -25.411 -9.113 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 -8.582 -13.555 -0.619 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 2.796 -0.650 -3.009 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 16.474 -14.719 -9.915 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 -0.598 1.659 -7.418 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 4.811 3.751 -0.852 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 -6.183 -4.110 2.354 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 1.333 1.578 2.127 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 -3.740 2.267 1.673 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 -12.641 -13.638 -2.556 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 -15.159 -24.558 -6.405 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 2.147 8.606 0.415 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 -18.887 10.047 -11.199 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 -23.279 3.735 14.036 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 1.183 7.196 -4.788 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 13.450 -4.847 0.737 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 -9.812 14.609 -5.050 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 4.902 -0.590 3.046 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 7.846 -1.133 -9.787 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 12.260 -19.206 -20.032 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 -5.715 2.108 -3.009 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 -5.622 -12.149 1.757 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 -0.324 2.766 12.647 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 -1.783 4.940 3.658 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 14.203 16.942 5.240 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 -8.221 6.699 11.377 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 -7.103 -1.363 -1.574 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 -0.914 -4.354 25.713 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 0.548 11.004 -7.055 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 -3.597 5.539 -2.979 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 1.887 3.612 -1.239 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 0.509 1.743 -7.168 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 2.374 -1.937 -2.390 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 -6.814 17.809 -6.354 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 5.236 7.225 3.310 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 -1.145 -3.560 -1.280 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 1.386 -5.536 -18.675 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 -0.172 -6.389 -19.213 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 -4.195 3.930 -5.640 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 -1.910 1.711 -1.037 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 12.897 -5.590 22.651 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 2.162 1.135 3.567 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 -5.469 -15.503 16.504 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 22.023 -13.362 -4.516 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 -4.383 -5.428 -2.344 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 -25.823 20.448 -22.040 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 2.166 -10.765 14.472 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 0.719 -2.486 -2.798 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 19.646 -28.797 2.050 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 20.904 20.607 -18.427 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 1.058 -2.996 -6.995 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 4.992 0.018 -11.021 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 11.210 13.826 -17.694 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 -9.139 -0.354 -0.217 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 -1.423 -0.213 18.746 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 6.433 3.024 23.698 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 -3.868 0.067 5.683 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 0.143 -3.953 19.320 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 -7.432 -0.540 4.968 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 -0.969 -1.723 -4.601 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 18.747 -13.061 -9.059 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 -17.757 -3.972 -28.088 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 8.133 -3.201 2.037 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 16.133 8.600 16.971 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 4.452 15.669 2.630 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 -6.765 -6.376 4.685 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 9.471 -2.226 -6.712 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 -0.073 1.741 -2.813 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 0.196 -6.313 -6.030 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 3.879 -6.829 -7.497 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 -3.549 3.897 -1.144 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 7.101 -4.024 5.032 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 25.463 -11.989 11.932 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 -0.329 -6.949 14.890 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 7.764 -2.502 -9.796 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 6.731 -13.747 6.036 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 15.409 -22.764 14.913 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 2.208 -0.843 -1.261 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 2.090 -5.258 18.841 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 1.912 -3.313 9.982 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 -3.557 0.249 9.974 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 -16.046 -0.294 13.414 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 -4.003 1.880 9.878 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 2.924 -2.980 -2.056 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 -3.514 2.682 -8.080 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 -2.361 4.991 -2.919 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 -2.007 5.068 0.097 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 2.211 7.798 3.979 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 -12.850 -1.792 -9.049 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 5.260 -4.722 -5.843 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 14.480 -1.507 -17.666 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 9.775 0.558 17.669 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 2.961 -1.420 -6.342 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 -20.340 -9.098 8.494 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 -2.789 -10.335 24.632 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 1.237 0.437 2.609 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 1.322 3.716 -3.065 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 0.221 1.153 2.112 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 5.524 1.738 -0.392 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 6.562 3.792 -28.241 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 10.137 -56.407 18.856 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 -0.514 1.329 2.392 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 -3.482 -6.820 9.232 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 -8.931 -19.899 21.261 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 0.483 -2.638 3.221 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 6.254 7.348 -0.049 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 1.075 21.763 3.790 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 -4.448 2.176 0.798 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 5.380 -2.732 2.014 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 -7.589 -33.993 12.465 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 -0.192 2.896 -0.699 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 -6.984 -7.475 -1.111 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 0.342 -2.179 -6.491 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 -4.672 -0.212 -8.449 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 2.258 0.551 -6.027 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 -5.142 -4.436 -1.890 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 5.078 4.421 5.861 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 -0.566 3.838 -1.897 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 8.101 2.916 2.970 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 3.261 4.425 -4.979 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 -8.113 12.275 -3.893 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 8.003 18.062 -17.683 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 0.462 -6.966 -0.804 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 -18.338 -0.915 -28.683 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 -4.690 -6.394 -7.321 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 -1.275 1.530 3.287 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 -6.562 8.198 -12.329 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 11.745 9.173 -9.051 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 5.242 6.368 -6.954 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 -8.129 5.602 5.598 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 -0.252 10.806 -3.691 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 -3.515 -4.686 2.132 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 2.662 -2.136 1.733 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 -1.233 -1.771 2.287 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 4.326 -4.528 -3.045 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 9.688 4.538 -2.397 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 -1.042 24.973 -12.314 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 -1.906 -0.677 0.881 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 -26.619 -3.644 -22.849 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 -0.591 -12.859 25.673 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 -4.192 1.254 -0.704 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 5.185 -1.123 1.842 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 5.747 -9.099 -5.097 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 0.408 -0.102 -0.422 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 -0.089 3.101 13.315 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 14.997 9.493 8.831 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 6.298 1.769 1.150 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 -6.163 12.699 -10.747 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 -2.446 1.036 -11.047 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 -1.988 -6.485 -0.674 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 18.256 -5.200 -10.210 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 3.646 -4.621 -3.888 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 -4.350 2.844 -2.555 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 -15.122 10.938 -7.397 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 -1.815 0.845 -2.242 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 -2.863 -4.581 -3.685 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 -2.175 -7.546 -3.981 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 -8.699 -6.627 -0.142 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 2.538 0.506 2.770 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 -1.019 -2.339 15.735 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 9.815 6.957 3.253 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 6.440 2.825 1.642 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 1.449 2.497 6.204 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 -5.522 -2.142 25.457 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 2.293 -2.927 0.075 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 2.192 -2.504 -0.005 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 9.623 -19.606 -12.779 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 -3.794 -2.493 0.394 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 -2.509 -16.631 6.955 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 -2.798 -3.725 -8.484 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 4.300 4.482 -8.311 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 -0.594 15.802 -11.648 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 9.452 5.978 -4.912 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 2.633 0.321 0.177 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 -3.250 -12.663 14.041 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 -5.744 -12.064 18.027 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 -4.081 -2.304 1.792 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 -5.777 7.312 -0.199 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 1.203 -24.402 5.809 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 -4.524 -0.527 -2.552 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 -15.081 -0.370 -4.335 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 0.123 -6.191 -10.715 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 3.184 -2.254 -3.362 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 -1.035 6.683 -17.329 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 -17.799 2.765 -21.731 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 0.324 -5.672 3.073 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 -4.248 4.515 -16.633 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 -11.298 -3.331 12.688 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 -2.077 6.728 -1.449 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 12.514 -4.349 -3.370 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 8.547 0.654 -14.433 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 3.127 -11.736 -0.034 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 28.841 -14.422 -3.047 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 -10.424 -14.398 -2.692 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 3.660 -3.943 2.418 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 12.802 24.788 5.623 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 -0.455 -17.120 -1.545 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 2.209 -4.919 2.336 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 20.007 -4.193 13.265 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 15.396 -4.940 4.966 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 -7.212 -0.922 1.227 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 0.404 -22.372 9.011 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 -12.947 2.516 5.573 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 0.302 5.869 -3.059 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 1.018 7.345 -3.485 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 -1.967 8.157 -4.044 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 2.071 5.436 -0.061 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 -3.963 -6.851 -1.050 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 -14.890 0.472 1.324 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 -4.577 -1.597 -0.382 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 2.672 12.899 -1.002 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 -0.903 8.259 2.182 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 -3.658 6.592 2.349 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 -0.046 3.180 -8.475 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 -2.626 2.561 17.080 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 2.324 -4.509 2.963 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 -11.730 17.000 2.143 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 5.676 26.114 -3.475 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 1.470 3.366 -4.832 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 6.875 9.943 -13.526 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 3.728 5.476 -8.599 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 -3.628 0.591 0.544 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 -4.780 -0.313 1.664 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 -8.515 -2.708 13.775 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 -3.455 0.692 -0.683 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 16.264 17.268 -2.264 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 -13.483 8.812 -19.025 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 2.023 4.406 -2.916 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 16.001 12.702 -11.814 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 -9.255 -0.107 -15.080 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 -0.935 -4.327 2.214 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 -1.119 -9.117 10.153 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 -5.936 2.205 -4.030 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 -0.747 2.518 -3.333 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 -4.344 -15.891 5.912 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 1.931 2.363 11.726 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 3.252 -2.027 -0.814 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 -1.973 -4.552 -4.002 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 -0.643 6.737 -2.662 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 5.967 3.291 2.971 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 8.297 0.602 2.083 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 5.247 3.396 -0.016 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 2.410 -4.366 -3.328 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 4.037 -16.776 1.481 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 3.350 26.777 -8.110 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 -4.273 -2.939 -1.145 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 -14.220 -7.191 -1.212 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 -1.803 -5.993 -0.674 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 -9.492 4.594 0.200 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 -4.995 -8.132 -2.759 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 14.162 -9.190 7.096 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 -3.982 5.678 4.059 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 -7.685 6.268 4.912 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 4.673 2.040 -5.098 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 2.467 -3.066 0.411 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 -4.544 -12.749 3.425 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 12.007 3.883 18.194 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 5.017 1.682 -4.154 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 -12.947 -22.913 19.802 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 18.055 26.571 -25.237 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 2.283 3.076 -1.492 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 -5.808 12.255 -2.630 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 -1.323 12.502 -7.666 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 3.444 3.805 5.024 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 -8.699 6.281 21.372 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 -11.769 -8.758 1.805 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 2.009 0.490 3.277 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 4.715 2.435 3.156 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 -2.807 1.267 9.194 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 -5.700 2.579 -0.769 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 -6.723 0.855 -1.793 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 -16.748 -4.441 -1.074 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 0.888 1.500 -3.826 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 11.768 -5.228 -16.474 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 3.163 -7.168 10.109 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 5.565 1.771 3.641 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 6.281 -4.739 1.765 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 -4.865 7.606 -1.757 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 -7.077 -4.642 -1.108 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 -3.255 3.598 -6.258 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 1.729 -7.026 8.584 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 -7.163 -0.912 -2.838 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 1.887 6.818 -6.171 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 -10.877 8.608 7.262 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 2.410 3.558 -0.724 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 2.913 -16.732 8.270 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 6.430 8.626 -12.819 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 -2.575 -1.170 -2.736 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 -11.467 12.173 -16.631 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 0.680 6.167 16.527 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 0.905 -1.624 -5.301 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 -18.487 10.975 -10.688 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 -6.716 -12.133 15.849 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 -1.596 -1.423 -0.671 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 -5.099 -22.425 -3.904 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 -21.313 14.108 -14.841 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 2.165 -2.733 -1.304 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 9.083 -8.518 -4.203 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 -3.733 17.186 4.006 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 -0.278 5.040 -5.036 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 -2.611 0.830 -1.878 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 2.086 25.182 4.152 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 4.055 -0.481 3.213 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 4.639 -5.178 7.969 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 -9.472 -4.148 -5.800 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 -2.853 2.083 -1.169 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 6.581 8.993 -4.439 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 -5.913 4.958 16.223 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 2.163 -2.950 1.859 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 -1.356 -1.299 2.092 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 2.011 -6.448 4.333 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 -7.405 -0.554 -9.485 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 -15.735 0.726 9.419 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 -1.247 -7.373 3.837 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 -2.453 0.716 6.020 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 15.703 -10.337 -19.722 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 -7.591 -7.434 6.954 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 -9.489 -5.993 -2.952 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 19.015 4.024 9.082 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 -23.201 5.739 12.533 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 -0.452 1.683 -1.963 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 -6.168 2.449 -25.222 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 -0.645 1.901 -1.467 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 0.304 5.354 2.148 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 -5.145 -2.555 3.848 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 -12.542 7.283 -28.169 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 -0.657 -2.583 -1.762 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 -2.628 -17.246 1.875 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 -2.844 -8.949 -20.121 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 -8.097 2.254 -3.101 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 -8.532 -0.225 -7.356 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 -5.984 12.999 15.478 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 -1.564 -7.745 2.143 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 29.841 1.369 -5.500 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 -14.935 17.197 11.047 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 2.198 3.811 -4.382 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 3.745 -9.217 0.755 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 7.976 4.773 -7.338 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 2.336 -4.947 -3.393 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 3.640 -7.955 -9.870 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 10.134 -5.474 -3.443 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 -0.452 -7.261 -1.493 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 -6.187 -18.041 -3.601 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 -4.965 1.545 -8.650 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 4.095 -4.029 -0.992 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 16.580 0.180 5.322 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 4.458 4.640 -3.774 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 -1.320 2.531 0.477 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 -0.009 3.292 -1.273 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 2.310 2.000 -1.900 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 3.144 3.040 -0.677 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 -0.153 7.930 -5.479 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 8.467 -3.061 -7.816 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 -1.705 -0.899 -1.995 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 21.983 22.476 -1.427 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 2.393 10.301 9.969 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 -1.616 2.536 -2.013 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 -5.702 0.539 -8.948 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 10.969 -3.307 0.973 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 -1.528 -1.163 -2.895 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 -3.695 -5.454 9.113 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 -1.124 6.864 -41.688 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 -0.480 6.719 3.034 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 15.296 4.095 28.245 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 -26.654 11.907 -36.251 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 -3.039 0.367 -0.734 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 -11.942 0.308 -3.792 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 -8.372 1.701 -3.335 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 -3.950 4.202 3.465 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 5.969 -8.841 7.379 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 5.780 10.896 -9.031 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 -3.908 0.580 2.283 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 5.861 -1.349 14.608 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 -19.936 1.435 -12.086 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 5.378 -0.658 -4.063 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 -5.837 -8.875 33.847 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 -25.380 -0.595 -25.779 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 -4.699 0.074 -3.139 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 9.575 15.341 -11.315 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 -3.044 1.586 -14.750 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 2.277 3.387 1.635 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 16.407 1.284 21.968 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 -8.005 12.345 7.602 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 -0.607 1.987 5.745 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 -13.872 -0.450 1.491 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 -1.163 1.534 4.894 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 -2.756 2.081 0.383 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 -4.837 10.892 -0.235 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 -3.826 -5.946 -1.500 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 3.583 2.872 -5.437 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 -11.256 -4.914 -10.215 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 12.727 4.456 -17.784 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 -3.591 1.669 2.931 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 -10.860 -4.335 -0.493 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 -8.637 8.699 -9.572 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 0.599 -1.484 3.957 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 -0.739 1.008 9.580 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 5.870 -7.528 -0.681 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 -4.085 1.316 4.968 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 -3.191 -8.024 -10.859 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 -15.369 -2.679 -9.032 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 0.415 -6.285 7.200 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 -3.543 -16.041 8.281 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 3.525 -7.255 -0.942 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 4.639 -4.283 2.778 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 -15.715 26.009 3.203 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 10.151 -11.371 3.055 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 -5.796 1.456 -0.784 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 13.871 -7.584 -16.824 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 -11.332 13.499 -9.445 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 -9.537 -1.071 -5.467 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 3.142 15.900 -16.915 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 2.117 -27.415 -17.130 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 8.270 5.894 -1.074 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 24.652 20.217 -7.136 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 10.825 -12.659 -21.497 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 3.210 -3.545 2.764 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 7.105 -15.974 -20.177 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 12.644 23.250 -21.904 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 3.652 -0.436 7.024 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 -5.493 -4.096 -6.891 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 -3.941 -38.916 -16.811 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 1.972 1.095 1.005 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 -3.277 -12.457 -4.316 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 -0.108 23.047 27.905 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 2.723 0.309 -1.808 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 9.295 -5.199 -13.095 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 17.807 10.221 -18.304 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 1.207 1.233 -7.808 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 22.712 7.962 -3.718 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 14.317 25.196 5.013 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 -7.874 -4.226 -5.612 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 -2.528 0.854 -7.527 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 -7.916 8.048 -11.101 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 0.837 9.052 1.461 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 -15.366 33.733 -4.906 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 18.626 16.146 -2.909 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 4.204 1.593 0.687 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 3.431 -4.126 -2.946 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 -1.066 9.973 8.207 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 2.369 0.357 -4.834 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 2.871 -11.264 -8.737 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 3.450 1.416 6.768 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 6.985 -3.927 0.132 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 8.391 11.639 8.965 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 -8.417 17.353 -22.232 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 -8.278 -3.274 -1.309 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 -22.438 -6.083 -5.482 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 6.463 -0.927 5.574 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 -9.370 1.349 5.556 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 -18.323 -12.553 -21.592 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 -17.794 29.467 22.180 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 1.480 5.580 4.174 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 5.567 2.290 7.469 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 2.278 1.953 3.304 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 1.443 1.402 -1.818 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 -1.307 -20.523 -1.940 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 4.039 7.270 -3.360 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 -3.361 -1.100 -6.479 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 -12.332 -3.631 -6.474 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 17.590 -6.126 0.809 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 2.708 0.955 -2.273 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 27.748 36.089 5.842 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 0.215 4.670 -2.410 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 -2.118 -3.899 4.509 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 -9.630 0.121 4.464 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 -2.800 -11.017 12.704 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 9.646 1.052 1.720 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 2.353 -35.300 -22.020 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 8.213 9.735 1.609 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 3.828 3.198 0.349 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 1.373 16.583 1.931 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 -22.209 -10.777 12.149 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 -1.212 3.865 1.232 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 1.631 -6.983 -11.303 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 -6.779 1.747 17.455 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 0.509 -1.719 6.994 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 -24.621 -3.261 5.536 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 10.082 14.640 -4.568 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 5.073 -6.493 3.811 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 5.616 -11.657 0.296 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 7.552 -1.635 0.423 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 9.044 -8.289 3.548 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 20.063 -0.075 5.648 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 -1.313 7.730 -19.193 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 1.205 -2.146 -1.368 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 2.524 6.927 -8.852 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 -3.628 18.543 1.522 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 -2.324 6.238 8.179 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 -4.350 1.909 -9.348 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 0.313 1.345 1.069 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 -0.863 5.666 4.296 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 35.017 2.219 24.449 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 -4.682 -21.086 23.055 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 -6.757 -1.103 -0.495 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 -7.394 -6.525 13.632 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 4.538 -4.513 7.084 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 -5.308 -5.733 -6.176 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 12.937 4.757 -3.139 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -7.100 8.113 -4.643 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 5.936 6.674 8.919 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 6.334 -3.968 -3.386 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 4.790 1.532 2.448 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 -3.591 3.399 5.086 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 4.945 12.201 7.939 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 -10.954 -3.286 2.264 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 3.217 5.596 2.912 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 -4.426 -23.093 -0.053 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 -15.553 -6.930 -11.461 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 5.738 1.508 -1.831 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 -8.666 16.989 -7.315 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 2.022 24.459 -19.681 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 -4.412 -0.826 1.309 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 5.695 7.811 -32.136 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 -4.981 6.927 -3.222 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 -1.308 -3.997 9.466 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 15.887 -7.202 8.617 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 -1.259 -16.799 -0.987 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 -2.463 2.583 -0.352 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 2.004 -9.607 -4.146 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 -16.571 2.673 6.026 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 0.840 -5.730 0.659 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 1.979 -3.983 5.966 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 -5.355 -9.627 5.907 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 4.303 -4.452 -1.715 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 -2.681 1.740 4.660 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 11.950 -2.285 12.730 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 -6.244 0.546 -4.846 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 7.987 13.290 -10.532 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 4.328 -13.189 6.091 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 -1.581 1.169 -1.143 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 5.653 -6.961 15.883 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 -3.502 6.791 5.150 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 0.500 2.175 3.651 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 -5.223 0.576 -5.668 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 5.815 5.978 1.739 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 -1.552 -2.865 -1.807 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 -0.630 5.001 -13.322 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 -8.855 8.175 0.984 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 -6.507 -1.401 -3.022 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 -28.522 11.491 25.885 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 -11.551 3.189 9.054 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 9.139 3.804 2.067 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 35.383 16.661 -0.687 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 -6.859 -3.734 2.996 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 1.337 5.571 2.838 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 1.126 -2.973 -11.204 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 1.274 -12.638 -20.519 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 -0.554 0.813 -3.567 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 -8.171 -2.741 -1.822 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 0.689 0.392 -19.909 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 -5.635 0.220 -2.954 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 -6.208 -1.021 6.403 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 1.024 1.225 -6.399 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 -0.794 -4.140 -0.179 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 -8.224 7.420 -6.577 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 -8.365 -0.863 -13.887 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 -6.477 -2.832 1.801 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 -1.863 -21.303 19.874 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 -26.494 -12.970 -13.366 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 -3.562 3.130 2.917 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 -3.374 -0.901 3.119 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 -15.796 2.291 -2.740 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 -7.805 -3.649 0.450 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 11.479 33.651 16.772 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 2.748 21.721 8.746 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 -4.730 -1.969 2.180 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 0.689 -6.087 7.291 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 1.843 -0.453 2.981 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 1.180 -3.016 4.062 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 13.770 12.865 13.055 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 -27.932 5.506 3.754 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 -3.644 -5.452 -2.362 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 13.985 12.671 1.611 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 18.009 -28.441 1.725 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 -1.723 -0.487 -2.753 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 4.597 -4.165 -13.795 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 0.905 11.660 -1.802 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 3.877 -2.195 0.235 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 7.107 -4.137 -0.069 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 -6.683 -0.368 -5.130 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 -1.490 2.313 -0.746 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 1.588 17.611 -6.461 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 -15.922 13.846 15.575 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 0.400 0.610 -1.755 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 2.680 -14.274 -8.301 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 7.905 12.132 1.121 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 5.795 9.252 -1.452 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 -10.859 -5.400 -20.186 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 20.357 24.650 2.051 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 -1.570 0.844 -0.595 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 -6.727 -8.501 1.839 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 2.867 0.449 -1.966 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 0.373 -2.127 0.028 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 7.098 0.863 -9.030 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 9.203 7.781 -13.071 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 -0.370 0.838 4.460 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 -3.027 -1.826 9.359 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 1.238 -3.161 0.570 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 5.914 5.030 -1.310 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 -14.536 19.883 3.529 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 -13.679 -10.063 2.094 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 4.083 0.541 -1.457 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 -4.953 4.725 0.583 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 8.729 -3.850 -3.490 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 -4.622 -1.313 2.725 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 -17.534 -9.954 3.775 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 5.723 9.542 -2.149 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 2.700 4.484 7.257 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 4.041 -0.751 5.190 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 5.240 -7.533 2.362 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 2.660 2.244 1.408 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 0.494 -6.736 1.616 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 -13.489 5.334 8.683 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 -0.592 -3.913 -2.555 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 -7.384 -3.556 -16.115 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 5.549 3.062 -2.138 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 -1.237 0.925 3.317 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 10.142 -23.159 5.705 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 -7.442 6.494 -6.738 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 0.102 0.605 -5.549 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 4.476 3.695 -15.948 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 7.685 -6.865 -1.355 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 -5.225 -2.582 0.133 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 0.262 -0.651 0.918 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 -0.243 18.426 -4.034 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 -5.063 0.777 0.549 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 19.107 -9.173 -5.055 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 6.866 14.587 7.486 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 2.972 -0.174 -2.975 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 20.636 -4.638 -0.785 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 19.279 17.909 18.684 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 -2.146 -2.717 3.849 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 0.121 4.466 5.559 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 -7.343 -12.403 -3.750 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 0.230 0.088 0.099 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 -4.685 -5.155 3.622 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 -3.482 2.619 -5.077 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 -6.206 -3.756 -8.230 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 -23.774 -5.168 -16.505 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 3.567 -15.224 10.376 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 1.727 -4.539 2.504 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 -13.090 -10.088 1.500 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 -7.339 4.771 -1.922 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 8.214 -0.935 -1.011 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 5.158 -19.174 7.579 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 13.619 26.502 -19.947 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 -0.736 0.131 1.360 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 -10.999 -13.763 -10.388 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 -1.475 15.476 16.399 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 3.822 0.712 7.715 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 -9.490 5.413 16.858 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 -0.509 -2.732 14.098 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 3.100 0.251 2.960 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 6.192 -6.048 4.681 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 4.962 1.545 8.894 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 0.307 -2.799 3.475 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 -7.683 20.454 -3.463 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 -7.360 5.251 7.368 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 -0.689 -6.069 -5.343 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 -3.460 4.276 -20.820 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 13.546 -1.605 -23.300 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 -0.390 -5.006 -1.405 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 0.249 -20.000 2.831 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 4.627 2.242 -6.606 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 -1.995 1.518 -0.145 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 -20.350 -20.325 8.181 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 2.854 5.890 -1.652 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 -1.577 -6.697 0.003 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 10.277 18.849 -23.823 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 -11.709 -27.515 -17.204 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 1.713 -4.594 4.310 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 -11.401 -2.251 -1.437 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 10.553 -5.747 11.088 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 -3.822 3.399 5.202 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 -7.868 -5.265 6.484 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 4.805 19.788 4.235 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 -5.767 -0.350 1.847 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 -16.574 -3.484 -3.137 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 2.029 -10.693 -8.735 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 -3.826 -0.145 7.675 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 -26.203 -13.705 -28.676 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 -19.989 -17.039 -13.920 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 -8.307 -4.149 -0.522 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 -15.779 -10.032 -0.368 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 20.303 23.999 4.757 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 0.146 -3.940 -1.465 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 -2.479 -1.704 11.209 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 -4.916 -26.550 12.627 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 7.697 5.412 7.732 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 -0.286 13.340 12.299 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 1.513 11.234 11.172 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 7.648 1.940 0.114 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 8.973 3.656 -0.374 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 11.178 8.401 -3.988 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 -6.091 3.131 -3.056 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 -9.326 4.023 -3.478 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 -2.014 3.304 3.691 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 -0.905 -2.504 2.326 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 -6.569 -14.112 12.699 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 -7.914 -12.040 10.066 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 0.422 -6.348 -0.472 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 0.168 -8.740 -2.791 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 -1.261 -7.537 23.536 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 0.705 -3.293 -0.486 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 -17.954 8.615 -7.241 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 8.274 6.394 18.244 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 4.390 -4.335 -1.651 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 -2.287 -4.430 19.370 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 1.890 -13.310 -2.783 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 4.257 0.122 5.563 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 -9.138 -9.991 2.760 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 10.552 9.262 5.384 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 2.827 -2.260 5.799 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 4.036 16.685 -3.715 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 5.887 11.285 3.181 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 3.174 -1.932 4.793 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 -9.129 1.138 0.279 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 3.192 8.914 13.222 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 -1.454 3.232 -2.108 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 -0.718 4.800 -1.370 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 0.765 9.565 -8.339 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 2.774 -1.151 -1.476 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 -1.728 -9.385 1.102 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 1.369 -3.748 0.367 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 -0.525 -0.771 -0.626 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 7.295 -16.852 -15.935 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 1.718 -9.864 -1.065 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 1.886 -0.319 0.744 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 5.457 3.009 -4.452 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 10.644 2.345 -1.632 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 -4.049 1.481 -5.962 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 -7.520 7.382 17.371 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 5.012 4.707 3.545 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 3.406 5.682 -1.331 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 -2.144 1.870 -3.456 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 -6.267 -2.697 -0.401 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 -2.689 2.449 -4.300 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 6.660 -9.255 3.667 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 24.438 -3.346 -10.604 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 -6.886 8.289 -0.272 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 21.250 2.673 7.777 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 12.651 -2.489 17.224 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 -0.586 3.805 0.993 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 4.794 2.920 -21.330 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 -10.764 19.033 4.215 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 -2.201 1.338 4.490 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 22.249 -17.805 -21.783 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 -0.351 14.288 -2.927 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 0.625 -10.516 2.824 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 -9.271 -15.740 5.150 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 -6.121 11.363 1.100 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 0.167 -6.854 -0.426 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 -14.680 -10.883 1.608 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 5.565 -7.672 18.888 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 -2.460 -3.153 2.875 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 -8.332 -6.470 1.948 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 13.187 -8.556 1.797 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 6.481 2.584 2.098 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 14.070 -3.942 -3.360 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 9.262 -1.613 5.930 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 -3.300 4.207 2.847 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 27.952 -2.870 0.148 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 -14.742 27.759 15.604 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 -5.791 -2.796 2.950 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 -2.291 -2.715 12.030 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 5.029 8.498 7.268 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 0.753 -1.838 -3.464 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 -1.835 -3.113 -1.886 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 -2.158 -4.586 -0.082 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 2.220 -3.794 -0.149 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 8.047 -3.544 -3.989 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 3.377 2.418 1.431 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 -0.298 1.852 -4.870 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 -3.419 13.601 -2.190 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 0.801 -3.859 -6.117 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 2.793 2.021 -2.715 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 1.255 -5.407 2.097 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 2.338 8.746 5.113 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 4.096 3.672 0.782 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 11.448 18.006 -21.969 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 -9.586 5.401 6.954 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 -1.370 -4.899 4.484 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 -9.670 -11.153 0.716 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 23.567 -0.477 13.314 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 -1.543 0.633 5.833 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 -14.742 -18.014 7.793 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 5.507 6.027 2.350 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 -0.374 -1.978 1.082 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 -1.614 16.531 -13.486 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 -4.812 -11.028 -10.085 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 -8.772 2.419 3.682 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 -15.957 3.218 3.358 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 7.782 14.888 12.294 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 -9.073 2.658 7.048 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 -5.750 13.608 -10.976 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 9.350 2.685 10.212 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 -1.767 -6.256 -1.677 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 1.717 -7.258 -2.935 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 1.712 -20.298 -1.858 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 -2.591 0.202 4.597 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 5.509 2.657 -9.063 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 -9.194 -1.459 -11.551 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 -0.221 6.372 1.875 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 -11.418 10.484 1.297 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 13.541 -1.822 2.082 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 -3.502 -1.400 3.468 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 -3.349 1.129 4.317 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 -0.142 1.847 0.958 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 -0.172 -8.799 0.678 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 10.359 -1.505 -1.394 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 22.760 28.940 -12.861 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 3.720 3.684 8.918 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 8.695 -1.344 13.693 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 7.120 0.306 10.868 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 1.117 -1.756 1.528 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 8.878 5.933 -0.400 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 14.091 0.852 -0.177 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 -7.833 -5.373 4.917 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 2.568 -6.042 -1.540 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 -10.851 -2.155 6.716 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 -1.279 5.216 0.546 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 0.335 7.459 12.819 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 -7.928 -1.087 3.394 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 3.147 0.763 -2.246 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 13.486 17.753 0.626 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 -6.475 -3.942 3.946 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 -2.935 1.154 -6.602 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 0.911 -3.960 -13.672 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 4.233 6.952 14.656 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 -1.578 1.877 3.272 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 7.068 5.339 12.539 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 -12.118 -0.805 10.124 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 1.161 2.076 3.782 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 2.777 19.720 8.068 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 1.319 -13.198 5.940 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 1.170 -1.971 -10.530 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 -9.804 6.560 -17.574 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 -5.227 1.009 -7.499 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 3.754 0.079 1.160 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 -2.293 -1.900 -4.698 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 3.271 -2.834 2.288 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 -4.685 0.875 5.200 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 3.330 -5.465 17.327 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 10.962 15.555 2.856 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 2.876 -9.895 0.517 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 -19.451 12.480 -10.643 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 0.720 -4.071 9.353 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 2.305 3.227 1.805 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 8.167 -3.995 -1.716 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 0.558 -2.640 3.791 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 -3.442 1.679 0.858 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 -0.729 -8.633 5.844 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 -2.236 -18.866 -12.824 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 -0.712 3.485 -0.264 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 -5.432 4.314 -3.968 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 11.386 -6.281 11.211 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 -5.187 -3.732 -0.386 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 -0.294 -0.860 -10.171 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 -1.444 5.888 16.259 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 -3.016 -4.601 7.237 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 8.631 2.720 -32.184 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 -33.130 12.672 5.801 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 7.980 -4.857 0.741 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 0.441 12.137 34.421 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 0.217 -16.217 -16.571 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 -1.784 -3.434 0.120 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 -0.663 -1.183 3.226 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 9.388 10.096 19.846 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 -1.292 -4.595 -5.113 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 5.331 0.083 -6.242 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 -1.623 0.042 -9.815 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 3.142 -3.202 -3.322 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 0.916 -30.316 10.307 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 20.486 -21.252 1.910 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 5.266 1.518 1.735 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 -20.630 8.530 11.456 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 5.263 -22.644 -13.611 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 1.694 -4.058 1.365 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 3.598 32.945 12.131 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 8.429 -5.733 17.060 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 -0.709 -5.842 3.243 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 -2.013 -17.967 5.887 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 -4.049 -24.161 6.294 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 1.740 1.439 -4.377 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 3.010 -2.165 4.474 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 5.447 -8.137 -13.595 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 -4.317 -1.383 1.681 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 7.692 7.626 1.291 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 -19.149 1.215 3.840 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 -0.711 -1.528 0.410 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 -6.342 -2.826 -13.156 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 3.974 -7.925 3.052 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 -1.021 5.887 -6.326 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 -4.758 29.425 -3.870 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 6.250 8.423 7.072 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 -6.855 5.647 -0.395 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 27.761 -9.672 13.665 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 9.755 -1.317 5.896 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 2.398 -1.126 -2.411 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 -2.086 -21.064 4.122 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 -9.093 21.257 -1.443 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 -4.347 -1.842 6.324 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 -1.982 11.961 12.308 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 -2.865 -38.947 5.613 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 -4.814 -1.535 -1.135 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 1.484 26.882 -15.592 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 11.178 9.525 14.762 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 3.566 -5.129 7.714 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 4.949 -17.810 14.098 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 21.630 -0.299 10.378 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 0.787 0.935 -2.742 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 -18.552 12.216 15.331 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 -27.094 15.386 10.451 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 -12.976 8.479 3.096 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 -2.880 23.499 2.190 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 -3.159 1.379 15.461 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 2.937 0.935 5.541 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 9.156 -16.157 -12.507 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 5.414 3.238 2.420 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 -1.017 4.852 1.052 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 -16.989 21.183 -1.661 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 -3.296 15.711 -7.467 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 -0.763 -5.307 -6.578 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 6.818 -22.007 -14.574 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 8.429 -25.096 -16.802 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 4.851 -2.062 -0.884 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 -8.088 0.241 14.404 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 9.091 -2.197 6.507 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 4.154 -0.344 -0.677 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 6.431 9.120 20.286 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 3.792 -19.477 -3.246 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 -0.964 10.781 -1.493 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 -20.571 26.516 14.519 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 12.160 6.411 -3.770 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 1.224 3.395 -0.586 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 -3.563 0.719 -18.359 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 -3.347 1.429 10.083 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 -4.069 0.536 2.118 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 4.008 19.207 5.713 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 -10.121 4.867 1.139 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 5.723 -0.722 1.601 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 -19.017 -19.039 -18.105 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 -12.976 10.431 0.013 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 0.584 1.605 1.051 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 20.197 -24.588 15.988 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 -0.096 3.004 1.530 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 -0.120 -8.562 -0.089 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 -14.677 -11.509 -7.399 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 0.035 20.715 -7.155 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 1.459 3.313 1.256 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 4.098 -11.492 17.074 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 -5.357 -1.236 5.775 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 -3.033 4.985 -4.997 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 14.425 -10.528 -9.649 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 -11.357 12.247 -2.752 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 2.828 -0.728 5.182 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 4.332 -4.149 -1.092 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 7.424 5.083 6.154 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 -0.061 7.887 -1.217 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 20.358 -8.394 4.766 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 -19.814 25.381 -5.802 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 -3.407 1.239 -8.544 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 -13.044 7.730 -3.751 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 2.620 -7.578 -6.255 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 -0.375 -1.259 3.109 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 -6.067 10.198 22.639 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 -18.608 -14.235 -1.565 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 -2.964 -3.167 -0.707 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 -3.638 0.008 1.085 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 -8.184 1.114 -1.690 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 -3.313 10.377 -2.205 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 -5.947 9.053 -27.790 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 -4.102 12.326 5.133 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 -2.684 3.243 -1.461 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 -9.542 16.647 7.567 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 15.986 -0.718 -13.416 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 3.899 1.501 -2.396 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 4.854 5.227 14.416 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 12.076 16.633 6.385 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 6.396 6.690 -4.924 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 -11.695 10.783 -2.640 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 16.163 20.281 -7.265 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 0.557 3.299 -3.463 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 -2.202 7.391 -2.370 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 -0.918 4.889 4.319 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 3.376 2.948 -0.536 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 -14.085 -6.004 9.524 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 -3.373 23.454 -3.254 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 -1.002 -5.356 -3.234 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 5.127 -3.028 5.215 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 2.858 1.663 12.093 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 0.377 -0.986 -2.433 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 11.128 -18.581 -32.432 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 -2.743 2.126 4.690 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 6.189 3.873 2.885 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 6.887 0.559 -15.978 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 2.800 1.803 2.240 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 -5.385 -2.523 3.351 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 14.238 10.877 -2.509 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 22.278 14.009 -5.296 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 3.873 0.865 4.599 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 -12.085 -2.172 -20.708 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 34.721 3.538 11.613 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 0.138 -1.322 1.692 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 7.889 -30.259 19.003 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 -4.775 17.849 -9.756 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 3.683 -2.806 -0.866 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 -0.717 -20.720 -10.263 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 -2.354 -19.647 -9.397 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 -4.310 -5.824 1.924 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 -14.483 11.810 2.998 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 -0.558 -15.514 2.098 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 2.183 0.493 2.219 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 8.801 -3.873 -7.940 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 -4.054 -9.338 -5.638 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 1.241 1.425 -2.849 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 8.669 -2.338 -3.672 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 -2.862 -2.069 -13.492 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 -6.692 -4.191 -7.220 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 -4.613 6.432 22.799 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 -6.673 -3.198 -4.253 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 -1.428 -3.857 6.608 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 9.649 -8.258 -3.742 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 -5.199 -16.518 3.210 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 2.815 -0.528 1.211 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 10.767 -5.307 -0.556 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 5.388 1.232 -3.129 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 -0.237 5.952 3.322 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 9.181 16.594 -4.699 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 -0.258 8.423 -1.782 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 3.179 -1.002 0.272 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 -8.190 -19.435 13.593 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 3.930 -4.864 2.950 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 -4.581 3.749 4.936 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 -13.697 -16.284 -11.968 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 -3.370 5.483 6.161 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 0.819 2.088 -0.556 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 -9.596 2.660 -1.744 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 2.682 3.723 8.846 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 -4.585 1.376 -0.751 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 -16.280 -9.708 -10.705 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 -6.488 9.726 -2.323 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 -1.377 4.570 5.958 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 -7.848 -10.351 -18.500 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 -10.754 -12.870 22.836 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 6.581 -4.442 2.458 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 18.118 -10.808 0.364 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 -1.206 -6.597 2.315 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 2.893 -1.188 1.054 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 -7.779 2.992 -5.802 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 -6.549 1.284 27.950 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 1.293 1.649 -0.251 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 30.422 -9.142 45.515 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 -12.947 13.030 -25.513 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 -1.588 -1.812 -6.375 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 -0.758 6.164 3.253 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 2.505 -9.206 4.857 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 4.021 -3.469 -4.138 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 5.855 3.755 3.851 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 -5.257 -0.453 -6.851 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 4.633 6.543 -0.316 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 -1.279 0.738 1.173 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 0.775 1.129 -19.925 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 3.466 -6.900 1.255 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 -26.821 3.618 -16.104 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 17.141 0.176 6.147 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 3.481 0.471 3.558 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 5.661 -3.122 -1.903 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 10.074 4.120 -0.056 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 2.303 2.501 -2.660 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 5.031 9.090 6.968 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 5.364 -0.718 5.462 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 -2.591 0.874 -3.118 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 -3.595 3.949 -4.442 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 -9.116 7.397 3.074 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 1.100 4.349 -3.362 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 -5.022 -23.025 5.209 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 -10.628 11.711 -23.400 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 6.516 -0.105 -3.855 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 4.428 10.287 1.926 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 11.022 19.268 -27.801 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 -0.104 0.822 3.614 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 0.451 -6.244 -7.795 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 8.721 14.206 28.613 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 0.713 2.141 0.032 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 -4.453 -7.795 17.261 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 -9.482 -8.393 6.129 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 -2.808 3.886 1.003 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 -9.751 7.972 -18.980 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 5.554 24.466 4.598 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 -2.641 -1.141 -1.481 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 -5.037 -12.441 -13.454 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 -11.498 -9.934 -23.761 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 0.465 -0.087 0.381 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 -13.341 -2.325 -14.035 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 18.845 2.319 13.857 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 5.585 -3.465 -3.825 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 3.976 -9.233 -7.060 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 19.843 14.157 -12.419 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 -1.316 4.738 -3.199 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 23.784 0.147 3.899 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 0.451 -1.812 2.563 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 3.832 -3.098 2.488 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 -5.102 10.820 -12.341 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 -1.119 11.784 -8.729 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 -5.899 -2.310 -1.295 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 4.887 14.801 -8.294 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 -13.592 -1.325 -5.639 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 3.130 2.034 -1.019 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 -20.495 -7.502 -2.982 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 10.323 -19.408 -13.128 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 -4.069 7.818 1.169 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 25.615 13.400 -19.907 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 8.308 -5.710 15.646 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 -2.064 -9.030 -2.771 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 -26.691 -7.425 2.862 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 -4.539 -18.875 -16.184 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 -5.239 -0.438 2.542 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 2.257 -0.543 12.996 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 -1.543 6.598 -3.437 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 4.349 -3.973 -4.101 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 5.667 -7.904 13.642 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 6.152 -5.503 -4.927 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 5.773 -2.302 4.430 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 13.086 6.997 3.278 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 12.047 -8.577 16.887 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 -1.752 -0.242 -4.161 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 4.824 8.581 1.013 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 8.762 15.028 -19.146 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 3.586 4.529 0.511 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 16.434 3.781 -10.691 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 1.153 -12.251 -1.856 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 6.648 -6.903 4.292 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 0.467 1.345 6.469 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 6.872 -9.494 15.293 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 3.735 -4.482 -1.512 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 -12.382 -3.789 32.576 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 3.391 -6.383 5.889 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 3.430 5.169 1.631 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 -1.423 21.657 -11.980 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 9.458 -11.936 14.196 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 -1.353 5.197 -1.568 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 -10.226 -16.744 -3.163 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 18.092 3.478 -15.150 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 -1.373 3.434 2.889 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 -9.542 -3.481 5.942 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 -6.145 16.109 -0.185 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 3.696 3.600 1.769 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 -7.045 1.073 -7.983 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 20.558 5.752 4.553 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 -0.160 -0.484 4.070 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 -14.463 -15.649 1.674 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 6.214 17.533 11.673 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 -2.341 -4.621 4.675 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 -10.646 -10.176 -2.869 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 -6.598 -7.964 15.395 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 6.906 -1.585 0.693 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 -0.075 24.852 -0.836 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 7.445 -8.167 1.570 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 -0.313 -1.048 -4.773 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 -3.180 -9.223 -5.164 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 -3.349 2.330 1.512 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 -0.526 5.505 -1.380 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 1.304 11.586 -18.117 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 -17.849 6.198 13.805 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 -1.949 -4.599 2.736 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 -9.089 -5.435 -5.869 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 -0.593 -7.769 9.373 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 -7.857 0.540 6.607 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 -3.471 -12.747 -1.944 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 4.123 -16.831 5.125 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 -9.869 -5.756 0.523 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 0.651 -19.229 8.122 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 -4.761 -3.548 -8.033 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 -3.546 1.395 0.411 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 -18.367 -9.705 -29.941 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 26.407 5.058 5.963 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 -0.865 1.131 -2.239 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 -1.344 -3.977 9.522 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 -1.469 -2.967 -6.946 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 -0.297 7.158 0.427 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 -12.306 -20.342 -21.432 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 -18.692 -11.942 -25.966 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 -1.598 -4.881 -1.433 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 -6.544 0.229 -12.412 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 -9.435 -5.528 -22.122 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 0.652 -2.066 5.641 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 -13.563 -14.332 0.262 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 2.574 5.635 7.164 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 1.658 0.308 0.400 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 -13.171 8.413 16.815 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 -0.495 3.790 5.723 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 1.986 -2.515 1.883 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 -16.184 0.163 -9.684 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 -1.390 1.721 22.955 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 -4.725 -4.808 -1.312 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 -5.303 -1.005 -4.263 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 -2.386 -11.433 3.555 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 4.932 4.345 -0.724 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 -19.958 3.870 -7.768 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 6.042 -13.730 19.983 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 -2.519 -3.719 0.319 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 4.207 10.199 2.784 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 -0.096 1.612 1.098 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 5.331 7.536 -2.980 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 16.738 31.294 15.082 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 9.619 -7.443 4.250 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 -2.213 3.128 -5.005 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 5.734 -0.332 1.457 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 -16.928 -0.373 -4.645 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 -3.587 -1.376 0.483 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 -25.042 18.714 27.166 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 -5.259 -5.811 -8.764 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 0.760 1.750 4.082 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 1.657 16.837 -19.013 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 -0.326 -24.810 -11.536 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 -0.321 -0.640 -3.807 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 9.661 -2.113 14.848 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 10.627 5.416 8.566 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 -1.938 -3.551 8.921 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 -4.945 -5.636 5.848 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 -6.936 -2.125 -4.453 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 -0.903 -1.463 -0.713 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 -7.305 2.936 10.727 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 -8.661 1.669 -13.802 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 0.278 1.678 -3.605 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 -1.817 6.302 -4.797 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 16.048 -4.857 -4.851 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 3.380 -1.507 6.138 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 7.071 29.141 11.416 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 3.012 6.455 22.822 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 -0.023 -0.146 -0.211 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 17.533 8.192 24.035 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 21.667 15.003 -7.438 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 -0.755 3.983 1.301 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 4.041 -7.434 -5.874 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 -3.361 9.483 5.022 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 3.997 -1.201 1.925 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 3.546 12.203 14.733 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 6.121 2.950 6.839 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 -2.414 2.800 0.401 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 10.740 -12.244 16.348 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 13.976 11.579 -14.096 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 3.919 7.765 3.929 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 5.334 -18.944 20.102 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 -0.646 6.852 -7.917 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 0.518 -6.966 -4.088 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 -3.204 -6.393 -14.575 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 -3.380 0.819 12.366 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 -2.480 3.344 -5.092 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 1.244 10.847 -3.724 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 -7.349 0.772 9.471 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 -7.489 1.424 -2.927 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 10.921 22.903 -32.342 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 5.696 4.373 3.256 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 3.302 -5.085 -9.576 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -16.956 -16.143 -6.170 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 5.720 -5.162 1.401 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 0.998 3.761 0.678 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 -4.818 -1.339 6.100 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 -10.479 -7.588 9.435 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 -2.208 -1.021 -3.348 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 -1.247 15.019 2.855 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 21.678 -2.784 -10.748 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 -1.719 -7.630 0.382 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 -22.081 -7.057 -10.730 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 -12.282 -4.094 14.359 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 -1.629 -1.601 -12.062 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 -13.758 -8.967 4.729 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 -7.058 21.120 -18.605 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 -4.989 -1.253 -6.028 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 -22.801 12.641 -25.959 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 -3.586 -0.344 -10.251 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 -2.698 5.778 -0.288 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 -1.765 7.956 -4.087 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 0.957 5.482 -13.948 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 1.611 -1.209 -1.211 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 1.615 -1.726 4.206 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 3.336 1.624 -19.124 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 4.118 5.874 -0.184 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 5.785 7.683 12.120 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 -3.266 3.075 -2.137 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 -0.263 -0.306 1.421 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 -2.354 3.089 9.041 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 -1.487 -1.052 -1.973 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 -3.059 0.195 6.888 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 -5.055 1.539 6.104 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 -3.158 0.318 12.046 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 2.504 0.516 9.972 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 8.560 -17.856 8.090 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 -5.988 9.930 6.321 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 -5.756 3.813 -1.463 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 -1.569 3.197 4.547 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 -15.002 6.190 -2.781 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 -4.030 0.388 -1.539 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 8.674 -15.162 -1.271 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 -3.559 15.675 -8.177 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 -5.475 -6.110 -1.769 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 -6.088 -15.412 -3.019 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 -4.509 -1.592 -1.371 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 -6.360 4.453 -6.594 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 -3.638 13.633 -7.733 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 -17.619 11.752 6.683 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 2.969 -2.390 -7.736 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 -7.652 -4.215 12.151 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 22.475 -1.034 0.017 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 -3.606 -4.115 -3.293 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 -10.406 -12.958 -4.032 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 15.299 17.748 -6.033 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 0.887 0.800 1.331 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 9.333 12.311 2.454 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 13.168 -1.452 -18.048 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 0.114 4.999 -0.468 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 -10.249 23.288 8.953 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 6.642 -3.761 -9.571 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 0.805 2.240 -5.178 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 -4.442 -8.628 -19.965 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 -6.511 5.232 -0.893 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 2.826 -2.731 -3.006 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 -16.217 -10.589 23.131 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 -8.577 27.560 -12.451 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 -0.280 2.770 -2.585 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 -5.540 17.339 9.349 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 19.941 -5.448 3.259 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 -3.543 -0.320 -0.065 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 -21.830 19.815 -4.265 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 -2.571 -11.294 1.844 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 2.989 -0.170 1.681 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 20.205 23.433 -6.757 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 -1.019 9.687 -2.426 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 -4.345 2.052 -2.044 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 3.946 -1.616 -17.644 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 15.239 5.367 -9.237 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 2.478 -1.043 1.201 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 -0.796 12.743 -3.624 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 14.936 1.807 9.023 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 1.646 0.947 6.808 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 -33.194 -13.593 -6.663 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 23.965 22.284 19.775 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 2.310 -3.497 1.952 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 -7.314 -5.014 3.354 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 -11.168 -16.044 -19.598 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 5.387 0.610 1.948 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 -10.508 10.179 -35.762 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 -4.558 4.359 -19.288 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 4.375 -5.854 0.502 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 21.435 -13.390 -1.578 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 -9.992 -6.699 13.305 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 0.539 8.066 -1.497 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 0.261 13.442 4.278 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 0.358 1.759 -9.403 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 -1.120 3.943 -2.152 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 23.568 -10.690 0.354 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 5.441 5.189 -5.102 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 7.235 -1.247 3.911 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 -5.297 13.509 9.790 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 -7.120 -14.795 -8.317 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 2.544 -0.321 3.246 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 12.517 -8.558 3.671 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 -5.210 13.165 -3.686 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 -5.149 -1.728 0.325 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 23.487 0.986 -2.615 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 -14.282 -24.309 -6.195 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 -5.662 1.271 2.411 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 -12.818 1.216 3.115 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 -0.030 -4.491 -7.704 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 4.790 1.304 5.252 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 8.370 1.773 2.317 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 5.979 5.006 7.470 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 4.122 -4.134 -1.348 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 9.243 -3.795 -2.647 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 -5.643 -3.276 -14.586 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 -6.366 -3.723 -4.324 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 8.736 0.310 -0.199 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 6.800 -17.490 -1.740 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 1.945 4.895 -8.707 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 5.571 -2.090 -0.407 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 1.068 1.580 -14.524 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 5.758 4.798 1.190 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 -3.514 4.466 -26.100 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 16.592 3.583 38.077 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 4.650 1.265 3.369 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 4.586 -1.671 -4.333 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 -9.253 3.304 4.577 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 -1.195 2.689 2.101 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 7.823 3.787 -3.845 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 22.008 -21.920 -2.191 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 -2.676 -8.819 -4.241 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 -6.351 2.005 -29.134 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 -6.995 9.596 4.563 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 -1.566 -9.498 -0.574 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 -3.047 15.132 8.137 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 19.120 -16.382 -5.984 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 4.704 3.437 2.812 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 20.503 -2.107 -0.333 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 -10.777 16.730 8.375 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 1.103 6.884 -7.466 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 2.196 15.331 -5.722 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 -12.301 7.891 -16.764 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 -1.086 -5.831 -1.362 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 10.700 5.353 -12.657 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 -12.057 5.293 11.121 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 1.623 -0.921 -2.814 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 -1.202 15.559 -17.300 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 -0.009 -1.926 -4.217 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 -8.180 1.157 3.017 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 -9.887 5.177 -6.021 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 -6.669 4.982 5.436 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 -5.700 -4.390 -0.222 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 -5.321 -10.735 -5.598 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 -1.092 -9.810 6.310 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 -0.287 6.439 -4.705 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 8.842 13.949 -3.152 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 2.464 2.238 3.319 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 1.428 -4.185 -2.826 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 3.858 -7.629 0.151 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 3.889 3.977 8.445 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 -0.585 -4.257 0.826 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 5.083 -2.372 17.143 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 -16.104 -6.715 4.218 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 5.883 -7.688 2.770 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 -4.553 6.324 0.388 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 11.125 -0.115 -0.587 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 -1.824 -1.459 -2.707 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 -13.750 -9.241 6.295 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 15.672 -3.231 -5.729 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 -3.520 5.664 -3.489 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 15.073 -6.311 -3.267 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 -3.509 5.559 -3.539 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 2.610 -5.274 1.133 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 0.123 -23.042 -2.405 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 1.716 2.313 -4.539 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 0.183 -0.353 -2.291 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 23.232 0.300 -2.996 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 -34.948 -10.069 -10.775 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 2.004 -1.076 0.220 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 -11.361 6.018 23.786 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 17.106 -12.225 -38.506 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 5.533 2.533 -4.405 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 -8.570 36.617 -8.765 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 -1.816 20.081 -15.264 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 6.842 1.661 -8.396 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 -0.015 14.574 -3.287 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 -28.537 2.909 -4.847 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 6.074 -6.380 -0.118 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 -6.188 -14.593 -11.813 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 -2.350 -9.963 15.573 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 0.563 -11.079 4.877 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 9.363 1.992 10.305 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 -3.982 -15.387 4.116 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 2.556 -2.223 -1.485 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 11.835 -10.597 3.853 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 -3.401 11.713 -29.611 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 10.652 -0.124 0.362 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 14.210 -1.516 13.032 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 15.416 -12.052 -4.954 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 -3.092 2.946 -2.063 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 -3.495 11.642 -7.145 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 -5.403 -15.836 18.419 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 -7.226 2.784 6.745 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 1.602 -1.353 -6.907 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 -2.770 1.988 9.274 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 2.576 3.319 3.181 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 7.739 -4.383 12.476 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 -5.710 -14.064 0.425 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 -2.085 -1.955 -2.159 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 -3.816 9.776 -5.277 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 0.206 3.594 -2.713 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 0.724 5.949 -0.719 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 0.039 -1.991 -5.740 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 6.098 4.144 7.548 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 -5.337 4.047 1.799 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 16.163 -3.617 7.707 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 -17.694 -28.725 10.227 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 5.697 -3.440 -1.487 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 14.607 12.396 -0.035 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 -0.221 -20.199 -24.272 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 -4.153 -1.272 2.025 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 -2.824 -4.598 -0.690 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 -4.343 -0.024 2.119 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 10.421 3.337 5.391 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 30.762 -7.680 -4.226 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 -12.182 -6.802 -21.572 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 -2.237 5.381 -2.850 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 3.749 -13.205 5.066 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 -0.829 1.088 -0.200 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 -0.103 -0.496 2.276 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 0.914 17.444 -0.946 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 -6.581 -10.611 1.175 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 -1.926 -4.389 -0.690 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 -15.443 15.695 6.019 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 -12.827 7.403 -7.705 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 0.378 3.820 -9.027 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 -12.747 -10.409 -14.489 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 -3.394 -0.408 -9.821 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 -3.774 2.517 -3.138 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 -11.252 -6.899 2.189 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 -3.691 -7.354 -0.619 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 7.867 0.217 -1.766 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 1.656 8.611 5.256 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 -8.519 21.877 17.600 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 2.361 -3.282 9.372 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 -25.700 -5.493 -2.059 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 -11.073 -5.980 6.806 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 -1.257 -0.653 -1.568 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 6.722 8.704 1.724 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 -9.418 11.173 -28.053 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 0.468 1.387 7.693 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 8.717 -6.540 11.157 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 1.401 -35.108 15.341 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 9.023 -3.772 -3.144 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 -2.316 -19.307 6.802 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 -0.877 -2.572 -19.769 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 2.018 -4.717 1.944 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 8.539 -8.717 0.691 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 7.419 -6.678 3.855 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 4.926 0.468 -6.756 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 0.417 32.770 15.861 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 5.570 -9.929 -14.579 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 -4.917 -1.855 0.433 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 19.100 -25.265 -5.562 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 12.929 20.809 10.542 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 3.484 -2.339 -7.945 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 4.050 -0.329 -12.369 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 4.270 -7.666 -0.911 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 -0.991 -5.388 -4.994 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 6.432 3.511 -5.522 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 -21.000 -4.952 -12.875 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 -4.899 1.767 -1.571 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 -27.450 1.770 6.925 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 -0.496 -1.773 -1.402 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 -2.483 -1.397 -1.331 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 3.948 -19.947 14.073 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 -15.793 7.896 2.203 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 -1.594 -4.834 -0.802 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 -1.312 -1.776 -11.927 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 5.668 4.923 -3.402 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 4.260 2.776 -7.082 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 6.312 -7.855 -6.438 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 13.176 -22.528 -7.271 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 3.322 -3.082 4.701 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 -4.371 -16.386 15.376 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 9.620 4.662 -7.944 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 -1.858 -0.395 -2.105 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 -11.990 -21.157 18.695 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 -12.230 0.574 12.733 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 -1.354 -5.813 2.852 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 0.392 -0.514 9.890 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 7.650 28.290 38.168 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 3.885 5.034 6.940 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 -0.913 8.705 15.678 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 -5.755 -0.977 -10.674 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 1.802 1.825 0.245 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 2.140 20.296 19.757 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 5.906 -5.107 -13.094 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 -1.812 5.465 -1.317 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 -24.996 -8.316 3.671 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 -23.398 0.669 -0.625 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 -2.957 1.166 4.806 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 -6.538 -1.613 22.080 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 -11.482 -12.239 -29.697 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 -4.741 1.912 -3.817 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 -12.050 -16.201 -2.658 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 -5.090 -5.612 -23.461 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 -1.451 -2.306 -2.841 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 -6.858 8.130 11.802 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 -20.400 2.009 17.136 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 -3.474 -1.225 -5.393 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 6.664 -6.571 -16.514 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 -5.004 0.265 -16.781 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 -0.079 -1.420 -2.759 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 3.048 -13.379 -5.657 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 -7.073 9.566 -8.377 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 -6.524 2.365 -2.388 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 -11.953 -0.403 -11.427 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 -14.227 -0.243 2.093 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 1.288 3.720 2.704 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 12.837 -1.524 21.638 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 -20.712 13.708 16.849 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 -7.658 -1.994 1.298 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 -6.869 -11.169 6.010 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 -21.150 -2.306 -24.541 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 -3.171 1.906 0.850 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 5.263 10.804 2.115 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 -6.415 11.452 -0.903 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 4.808 0.099 1.461 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 8.926 -9.379 -2.588 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 9.171 1.934 11.374 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 3.299 2.627 0.314 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 8.533 5.287 0.489 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 4.061 4.609 6.756 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 -1.445 -4.048 2.273 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 -22.664 14.289 3.458 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 -4.500 8.328 -17.056 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 -2.732 -2.777 -0.554 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 11.282 -7.483 -13.975 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 10.086 -7.303 -12.172 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 0.758 -0.387 -0.742 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 8.297 11.612 25.278 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 -9.324 -10.460 10.837 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 0.347 2.908 -2.701 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 14.572 6.841 -26.319 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 -6.461 4.309 -44.138 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 0.600 -2.696 -0.997 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 6.764 -13.207 2.587 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 -0.609 10.182 13.896 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 0.200 1.023 0.446 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 0.915 -9.804 -8.668 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 8.634 -11.707 -17.960 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 -1.284 6.574 4.467 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 11.393 9.982 -3.385 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 -18.844 2.648 19.754 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 2.519 -3.294 0.076 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 6.803 8.739 7.250 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 6.337 -1.490 -12.070 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 5.232 2.087 1.314 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 -13.229 5.865 8.998 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 12.680 1.359 -1.358 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 -2.302 9.476 0.596 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 -2.299 10.539 4.958 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 -3.053 14.306 9.230 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 6.313 -0.574 -9.714 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 10.326 -3.347 -22.042 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 1.461 8.701 -2.236 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 -1.096 0.687 -3.220 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 -2.674 0.021 -3.063 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 11.248 3.025 2.454 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 6.884 -0.012 -10.366 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 1.015 8.461 1.485 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 12.430 0.402 -25.777 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 -2.772 -0.314 2.589 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 -4.599 6.043 7.777 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 -5.096 -11.366 -3.821 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 0.033 2.870 5.980 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 9.571 8.842 4.510 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 -2.647 0.967 2.254 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 2.934 0.228 0.119 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 -9.119 -4.230 -8.560 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 -2.890 13.257 8.432 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 -0.247 1.386 5.003 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 -5.407 -7.192 -0.216 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 -8.247 -20.437 8.763 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 -3.444 1.993 2.204 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 -9.540 -0.010 2.158 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 -14.696 -0.087 -34.132 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 1.277 -6.149 -0.941 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 22.282 9.899 21.689 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 -24.773 11.081 18.237 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 1.076 -5.474 4.760 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 -3.225 6.350 -10.198 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 -4.802 2.263 -6.957 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 2.011 2.240 -1.728 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 2.230 5.832 -2.191 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 6.656 -5.437 -8.650 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 2.671 -5.930 4.258 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 -10.440 -25.869 12.124 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 2.452 -10.931 0.322 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 -3.273 -1.875 4.060 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 5.444 13.709 -9.481 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 -1.955 5.960 4.694 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 3.955 4.584 7.075 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 26.083 22.634 -19.192 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 -14.398 -16.998 -7.419 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 0.076 0.519 0.746 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 11.768 11.377 20.405 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 -3.194 26.314 -18.955 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 -3.535 -4.161 -1.062 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 3.564 -14.657 0.180 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 -2.940 -1.877 -7.778 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 0.770 -0.735 1.050 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 16.593 -9.131 12.778 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 -26.045 -4.535 -2.907 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 -1.627 4.864 -3.839 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 0.857 -36.137 -4.062 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 4.586 -23.272 5.852 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 -0.438 0.892 9.638 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 -11.551 16.764 -7.200 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 13.455 3.862 20.016 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 1.385 4.778 2.171 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 -8.704 5.503 -4.452 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 -6.896 -11.430 -8.590 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 7.354 2.264 -1.831 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 -3.054 8.793 4.761 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 18.760 -1.637 13.139 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 -0.473 -1.898 2.987 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 12.574 1.148 6.797 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 -10.309 -4.856 -2.235 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 -0.189 4.493 -0.417 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 2.473 9.756 -2.065 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 -26.088 13.894 16.118 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 -3.037 -5.646 0.451 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 3.738 -18.320 -31.738 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 -5.522 0.093 10.753 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 3.321 -7.885 8.405 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 -12.839 -5.423 -10.844 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 -0.431 -13.429 -19.635 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 -1.610 0.024 -3.865 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 5.363 -0.255 -21.297 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 -5.718 6.238 -4.749 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 4.905 2.672 1.651 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 4.792 17.686 5.703 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 -4.003 -4.153 7.999 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 -0.168 0.148 0.613 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 17.240 -2.828 27.742 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 4.718 4.645 6.288 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 -7.735 5.018 -7.206 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 -5.738 3.000 -6.508 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 -7.211 7.004 -10.334 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 -4.829 -3.247 -2.028 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 -6.302 16.741 -4.518 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 -12.672 -6.326 -11.281 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 1.090 -6.337 4.839 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 8.874 4.031 -3.203 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 4.014 33.101 6.800 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 -4.078 -1.614 -0.383 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 13.268 -13.557 -4.477 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 -0.287 10.991 -12.831 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 -9.923 6.120 -1.465 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 -13.724 -2.352 0.904 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 5.935 11.591 -14.323 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 0.325 1.886 4.294 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 1.917 -4.489 21.191 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 -1.768 -1.128 10.750 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 -9.265 -3.273 5.052 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 6.977 16.044 -8.431 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 -18.932 43.385 11.573 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 -3.244 -1.648 -2.274 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 4.475 6.037 -1.006 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 6.423 19.078 10.748 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 0.929 -3.013 -5.604 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 21.454 5.444 -15.679 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 4.788 -17.846 -5.751 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 4.126 1.955 3.927 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 1.819 -27.097 -6.464 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 -18.295 3.217 15.884 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 0.455 -6.085 -2.038 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -3.873 7.956 -6.440 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 13.795 -5.203 5.161 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 3.510 -2.452 -4.267 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 -3.011 10.362 15.737 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 -20.835 27.158 -12.198 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 1.458 1.371 -0.588 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 -1.997 -14.355 7.384 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 -18.788 -16.135 -27.814 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 -1.989 -0.332 2.597 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 4.195 5.164 -0.737 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 -8.070 -6.491 15.077 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 2.764 -2.629 4.859 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 -17.529 7.824 -5.730 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 0.247 -2.386 4.526 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 7.746 3.722 -4.626 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 1.813 -8.862 -24.861 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 9.838 7.684 -20.285 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 2.948 3.305 0.302 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 -4.009 7.026 0.815 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 6.865 4.081 2.132 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 8.446 4.378 -0.452 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 14.427 16.667 0.719 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 -3.754 -23.435 -12.321 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 2.547 -6.464 -0.907 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 11.587 -10.767 0.746 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 -3.136 -1.824 -1.091 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 2.323 1.287 1.172 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 5.134 9.315 10.078 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 -1.638 -9.756 11.063 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 -5.328 4.609 -8.583 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 4.616 -10.508 -8.365 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 0.232 27.314 1.416 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 1.776 -10.303 -4.077 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 -2.462 -5.483 -1.626 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 -1.605 -11.495 -12.927 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 6.941 -9.633 -2.193 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 -0.208 9.315 -15.352 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 5.727 -6.413 -10.765 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 -2.903 0.556 3.831 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 2.899 19.456 5.008 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 -22.132 -5.496 -2.870 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 1.159 -1.934 -3.521 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 1.563 1.528 6.367 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 -21.408 -16.881 -13.033 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 -1.103 -3.412 -1.197 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 1.427 12.404 -8.140 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 11.486 -5.432 10.157 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 0.912 0.158 0.070 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 -1.837 -7.748 -7.064 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 15.036 9.786 8.745 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 0.521 -3.766 0.332 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 1.045 -3.512 3.313 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 -19.689 -12.609 2.855 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 -6.497 -3.416 3.571 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 -20.315 2.525 -4.127 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 -10.194 -2.642 1.510 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 1.219 -0.894 -1.320 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 11.892 -2.422 -2.141 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 17.423 -31.676 4.124 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 0.487 -4.674 2.036 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 24.747 -4.412 6.107 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 -12.253 -2.669 -0.433 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 -2.599 2.681 -0.394 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 -27.010 10.193 20.911 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 13.766 -1.103 -13.131 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 3.223 2.538 -6.175 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 -10.680 -3.248 2.458 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 -20.865 2.142 -11.876 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 -5.210 -0.924 -0.715 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 -8.661 0.946 8.073 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 -3.606 4.496 -9.092 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 2.214 -2.951 0.869 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 2.688 9.114 1.949 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 3.292 3.149 2.611 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 0.418 2.547 -5.630 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 -2.932 30.309 -4.250 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 -12.565 -17.619 25.468 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 -4.231 0.494 1.619 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 8.739 -15.491 -10.624 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 1.482 -0.212 -6.961 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 1.519 -3.456 -3.063 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 -14.949 7.426 -5.901 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 -19.206 10.335 -7.448 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 2.788 3.392 -1.269 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 6.054 -10.554 37.068 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 15.755 -14.134 -3.382 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 6.787 0.584 3.357 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 -4.418 -13.428 9.446 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 -4.928 -15.492 11.155 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 1.421 4.429 2.834 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 9.555 8.138 1.126 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 11.480 16.742 4.732 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 4.799 4.409 7.068 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 -25.025 21.975 1.812 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 16.259 -16.040 15.473 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 -3.712 5.695 4.797 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 -0.725 21.366 7.090 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 4.670 18.827 5.577 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 -0.465 -3.522 1.110 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 -5.047 -18.290 -13.931 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 2.786 2.708 -13.455 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 0.847 1.620 -1.453 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 -11.895 -5.475 17.695 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 -14.568 0.625 11.132 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 4.079 2.005 -4.320 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 -11.887 -4.456 -31.251 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 -20.750 4.155 19.095 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 2.244 2.913 -2.583 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 -0.028 6.836 3.037 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 12.665 -8.771 -21.267 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 -2.257 6.408 -5.678 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 1.485 9.973 4.038 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 2.884 6.742 -7.181 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 3.038 2.130 3.840 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 -4.707 11.412 -5.481 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 -4.222 10.154 -5.381 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 -2.095 3.572 6.448 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 6.547 8.333 4.416 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 -29.123 -11.307 18.904 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 -0.628 -8.986 3.989 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 -1.831 -4.151 -0.820 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 9.797 -4.171 -0.786 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 -4.960 -1.505 -1.228 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 -7.182 -4.069 -19.428 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 -3.655 -1.419 1.157 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 -3.224 7.271 -1.284 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 -6.586 -2.645 -3.169 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 -12.051 9.469 -18.536 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 1.644 4.704 -1.420 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 -19.908 -4.646 0.119 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 23.212 12.440 -3.265 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 0.583 5.355 -1.508 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 3.130 14.607 -9.920 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 -2.970 5.719 -13.807 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 -4.569 1.941 0.219 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 10.104 13.308 -11.294 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 -20.182 9.403 4.600 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 -0.031 -1.587 -3.096 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 11.456 0.196 0.342 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 -5.854 0.944 -0.062 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 5.039 -1.050 -5.976 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 -7.901 -5.656 4.040 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 8.882 -6.502 -6.004 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 0.261 -5.381 2.200 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 -2.750 -2.110 -11.372 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 16.387 -6.182 6.770 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 -4.949 1.045 -0.584 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 -9.565 -5.231 8.974 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 -2.563 7.516 -10.082 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 0.946 -0.154 0.387 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 -9.091 -2.306 6.316 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 13.242 4.255 -13.028 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 5.375 -0.733 2.214 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 16.732 13.309 5.187 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 17.725 6.750 4.387 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 7.437 -0.503 -2.389 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 1.997 -4.398 -4.081 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 -11.569 -8.136 -4.059 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 1.675 -4.173 -10.810 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 -2.408 -0.765 -4.318 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 11.900 1.049 24.510 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 0.642 -4.994 -1.055 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 -12.711 -3.271 -12.136 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 -8.806 13.624 5.564 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 -2.654 -4.917 3.319 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 0.877 -31.889 2.157 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 -2.738 -14.116 -0.484 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 1.882 -4.922 -4.458 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 7.420 -8.294 -6.952 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 0.650 -7.437 -2.707 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 -1.307 2.153 -0.946 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 -16.881 12.390 1.841 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 -32.532 -4.954 -2.737 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 -6.265 0.918 2.423 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 -7.062 -1.641 -13.174 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 -3.866 9.002 7.175 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 -7.182 -3.590 4.865 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 -3.783 -5.315 -0.645 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 -13.771 -1.500 3.971 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 0.540 -1.050 4.237 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 -19.161 -8.119 15.832 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 0.670 1.856 10.467 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 1.568 -4.052 0.295 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 2.626 11.096 -7.872 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 27.143 -10.487 15.360 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 -2.599 -4.315 4.397 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 -2.033 -14.136 10.978 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 8.305 4.973 -3.759 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 3.711 -5.080 0.850 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 -1.036 -9.220 -5.709 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 1.371 -12.479 -3.654 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 0.532 -3.593 2.159 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 0.163 -1.278 -8.656 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 -4.873 25.614 22.357 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 -5.745 -1.713 3.193 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 -2.141 2.780 0.660 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 -17.251 -16.409 -2.939 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 -3.478 0.488 -6.718 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 17.571 8.327 4.092 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 29.358 -4.230 26.576 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 0.880 -2.121 -1.843 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 1.728 -3.651 -2.213 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 7.242 -6.071 -2.938 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 -5.548 -1.925 3.892 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 9.507 -14.330 -1.168 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 18.673 -0.248 -7.217 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 2.707 3.979 -5.628 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 -10.584 -2.636 10.870 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 3.925 5.178 -8.009 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 0.338 -3.179 0.475 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 17.191 -0.445 -2.618 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 -6.424 -18.621 12.424 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 -2.252 6.842 -8.272 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 -3.218 6.175 -6.546 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 1.156 6.060 -12.112 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 4.833 3.218 -3.996 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 -4.934 1.163 -4.184 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 6.839 -11.359 0.999 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 -5.661 -2.169 0.529 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 -4.698 -11.261 -2.441 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 8.872 9.388 -3.128 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 1.839 -6.494 5.764 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 -4.120 7.504 -5.257 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 10.060 -19.063 -6.222 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 3.973 -5.780 3.705 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 6.652 -3.969 -1.441 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 2.453 11.588 -9.227 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 -0.625 -1.853 -2.336 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 1.474 -6.128 -1.746 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 -11.469 14.782 -7.495 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 0.536 -2.734 2.246 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 35.810 -0.996 3.621 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 -9.051 16.466 14.530 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 -0.133 -7.869 -1.044 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 3.968 3.175 5.492 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 -7.349 -5.759 -0.667 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 -0.198 -3.335 -5.879 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 6.588 3.957 12.272 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 9.456 -3.301 7.003 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 -1.194 -1.260 3.632 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 -12.034 14.521 11.097 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 -15.618 5.038 2.536 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 -2.527 -7.294 -0.314 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 -1.486 -18.195 24.024 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 23.073 5.704 -3.249 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 -0.698 -3.546 -0.316 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 -1.604 -5.148 -8.588 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 -4.249 5.013 6.158 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 1.393 -0.516 0.125 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 -8.735 2.712 14.947 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 9.422 -2.950 -10.830 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 -1.116 -0.662 -1.671 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 -2.398 2.353 0.590 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 2.161 -2.368 -10.058 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 2.716 -2.837 4.781 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 0.026 2.085 1.754 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 0.894 4.485 0.423 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 -1.094 0.149 1.355 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 32.188 -2.623 5.562 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 -5.255 -4.225 -31.073 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 4.162 8.457 1.888 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 -5.912 2.652 3.147 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 -13.774 7.748 11.238 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 -2.565 0.223 0.304 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 5.325 -14.079 3.233 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 7.764 11.064 8.761 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 7.061 0.351 -2.627 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 -5.621 -2.209 -13.145 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 0.704 -3.874 -4.357 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 2.632 3.016 -0.586 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 3.072 15.856 17.509 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 9.792 27.227 7.830 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 -7.132 7.779 -2.311 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 9.257 19.581 0.640 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 -4.208 8.000 -21.021 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 -3.847 -5.489 -1.061 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 -5.992 1.745 5.286 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 -7.365 14.138 5.863 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 -7.708 -5.168 1.458 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 0.942 3.749 1.607 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 -5.449 12.318 0.385 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 -0.734 -1.025 4.819 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 -14.829 20.903 1.898 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 16.014 21.852 -14.365 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 2.946 -6.269 -4.568 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 -6.388 -21.158 -3.231 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 22.539 28.603 -2.796 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 -4.084 2.091 4.891 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 0.325 24.102 -3.429 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 1.019 -11.075 4.751 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 2.287 -5.019 -0.489 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 3.731 -8.506 -0.433 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 3.607 -5.641 0.375 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 -4.449 3.512 5.245 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 9.398 11.781 14.075 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 -6.330 -12.693 17.178 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 -0.771 -1.139 5.865 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 15.057 -3.969 -17.663 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 -22.839 -11.063 4.126 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 5.771 -2.735 6.111 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 3.249 6.326 7.717 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 5.672 0.123 -15.697 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 1.416 -2.801 -7.449 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 1.518 -5.413 -9.779 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 3.501 1.103 -4.640 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 4.491 3.439 -0.529 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 8.826 0.770 -7.782 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 5.636 3.078 -2.208 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 -1.422 3.641 -0.424 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 4.728 -2.991 -1.641 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 -33.086 -0.383 6.561 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 3.061 2.904 -1.758 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 -1.884 10.695 -7.309 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 -4.029 -7.060 -16.823 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 1.674 1.227 0.388 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 -30.434 7.666 0.140 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 -0.017 4.123 -4.255 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 -5.602 0.927 -0.006 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 -7.228 -15.641 -2.247 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 9.887 -21.354 11.429 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 3.660 2.188 -1.368 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 -10.055 -5.256 18.758 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 17.704 -1.790 15.823 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 -3.575 -5.988 -2.146 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 -5.797 2.567 11.848 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 -16.684 -9.821 -8.074 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 -1.248 0.453 -2.901 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 -1.874 0.678 -2.539 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 0.006 -8.089 -2.293 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 -0.349 -4.308 2.517 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 12.810 -14.072 2.892 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 2.221 2.457 -3.219 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 -1.785 -3.447 -3.033 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 -6.449 -7.629 -15.776 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 11.472 8.627 -6.882 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 -8.269 4.935 0.967 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 -14.185 0.856 0.879 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 -10.420 11.679 0.464 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 -1.611 3.504 -0.511 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 5.248 -1.422 5.816 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 12.884 -7.456 14.554 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 3.153 1.513 6.927 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 4.090 12.955 -25.002 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 5.040 -8.392 -13.296 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 -0.557 2.052 2.026 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 1.810 -0.671 20.230 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 1.193 -3.983 19.641 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 1.788 0.201 0.735 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 -9.550 10.036 11.119 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 20.287 4.136 11.625 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 2.632 -2.678 -5.406 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 -4.640 -31.319 2.896 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 15.884 -1.064 -17.945 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 2.752 0.555 0.294 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 -11.358 -8.995 46.550 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 0.271 5.715 7.329 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 4.894 -1.485 -4.698 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 3.452 -0.864 -2.071 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 2.061 -0.934 -0.060 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 -1.590 1.473 -1.394 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 -5.590 0.406 -1.474 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 -7.261 -2.913 -12.640 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 0.362 3.602 -0.875 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 3.454 5.823 6.279 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 4.046 15.455 -3.373 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 0.563 3.577 4.450 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 11.469 4.860 9.447 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 7.851 7.590 10.802 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 3.662 2.636 -1.174 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 21.063 4.857 -17.276 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 19.767 7.960 -27.318 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 -0.414 -3.865 4.679 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 -6.179 -11.198 -2.142 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 -12.746 4.259 -0.393 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 -1.334 -0.397 3.853 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 5.879 15.170 6.810 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 -2.154 -0.534 -12.257 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 1.447 -3.818 7.153 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 -7.052 6.497 1.347 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 -25.953 29.989 0.527 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 -2.399 9.315 1.668 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 6.773 11.123 1.149 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 0.165 9.685 1.991 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 3.570 0.570 -4.026 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 -13.167 -4.281 -8.061 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 12.560 -9.483 18.341 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 4.358 0.393 4.552 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 -7.573 -3.950 -4.186 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 13.091 1.999 -0.696 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 -2.427 2.523 -1.353 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 1.208 -5.559 -6.339 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 -6.762 -5.087 6.263 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 2.378 -5.490 1.652 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 7.299 -15.451 -10.458 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 -22.088 -13.061 -13.673 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 -5.191 -4.831 -0.199 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 -4.139 -9.379 -10.108 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 5.062 -0.519 -0.897 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 1.475 4.085 -1.137 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 -16.946 -9.000 9.487 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 14.684 25.058 0.773 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 0.912 1.461 -2.895 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 -5.313 -2.402 6.824 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 -9.242 2.141 -8.571 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 4.319 3.118 8.527 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 1.098 16.714 -7.096 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 1.375 0.831 0.712 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 0.337 0.410 -3.474 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 -0.902 -8.892 -11.813 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 6.870 -12.764 16.989 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 -3.615 -4.103 -5.009 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 -21.093 -2.874 -3.331 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 -1.829 2.874 -13.052 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 -2.842 3.657 -0.371 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 -13.545 20.354 -16.669 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 6.297 -8.268 12.577 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 -2.857 1.980 1.569 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 -11.810 -20.717 -20.809 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 15.754 -7.574 12.457 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 -1.621 -0.560 2.899 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 -12.474 -11.080 4.056 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 5.155 -25.099 4.954 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 -0.282 3.030 -0.090 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 0.658 -16.070 12.739 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 -10.864 4.514 -4.251 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 4.706 1.631 -5.471 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 -13.499 -16.736 1.990 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 14.289 11.855 -15.436 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 -1.801 -5.185 -2.957 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 1.133 32.507 17.377 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 3.001 13.693 -4.099 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 4.295 -2.138 6.216 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 -8.261 -2.431 10.981 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 3.188 28.156 -8.791 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 1.654 -1.226 -0.018 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 -1.196 -10.796 6.117 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 2.737 -9.768 -1.233 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 -1.040 -0.165 8.334 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 9.240 19.145 -3.739 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 -7.237 7.537 -2.316 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 5.227 3.737 1.688 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 8.564 1.549 -5.589 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 3.291 -2.086 4.116 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 -1.643 -1.205 -3.269 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 7.974 14.514 10.718 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 -31.422 5.578 -7.372 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 -0.857 2.395 -4.713 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 -19.125 -7.500 -12.561 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 12.318 -16.817 1.938 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 7.053 -3.353 -8.103 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 2.971 -1.183 5.957 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 -6.792 0.046 -6.683 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 2.260 -4.440 -0.835 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 41.055 1.998 16.155 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 -12.870 11.326 30.617 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 0.925 8.259 -3.533 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 -9.062 11.850 -20.503 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 -16.329 -5.694 -9.599 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 -7.937 -2.292 3.569 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 -9.862 18.329 -9.454 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 28.596 -7.489 -7.832 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 -3.717 0.122 -2.091 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 0.804 -6.639 -5.773 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 -8.487 -0.638 -15.136 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 -4.305 0.261 -0.105 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 5.162 13.152 3.551 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 -13.878 3.351 7.942 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 2.043 -1.390 -1.832 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 9.371 -11.759 1.147 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 -15.182 -12.547 -16.824 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 -7.446 2.188 -1.985 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 -0.262 9.052 -0.800 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 -16.148 5.844 -4.127 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 6.154 -3.713 0.120 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 11.599 -3.491 1.036 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 1.784 21.303 16.198 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 -3.601 -2.418 -5.089 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 17.153 -19.141 16.151 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 -9.081 4.584 -7.657 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 -1.852 1.368 2.227 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 15.388 -0.051 0.570 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 -4.143 -19.840 1.017 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 -2.646 3.249 -2.117 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 -6.575 26.796 -7.098 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 -0.930 -9.618 -8.166 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 1.898 5.076 -1.164 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 9.990 -6.305 -1.592 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 -12.402 2.300 -1.324 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 9.478 0.738 3.184 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 -0.183 -1.745 -7.744 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 -22.860 -12.508 15.029 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 0.463 3.354 2.089 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 3.259 2.218 5.370 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 -39.527 28.064 -5.418 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 -1.067 4.992 2.440 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 -3.304 6.207 -8.735 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 -0.834 5.088 4.632 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 -1.994 5.336 4.442 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 -13.813 12.711 -1.090 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 11.190 0.882 11.554 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 4.573 -5.823 -2.114 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 5.847 3.575 -10.922 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 12.554 13.297 -12.568 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 7.794 4.397 -4.660 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 -1.156 6.180 -4.042 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 -8.913 -5.312 0.030 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 5.265 -3.146 -8.247 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 13.740 5.767 8.292 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 4.357 -3.027 -5.859 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 -3.178 3.715 -2.018 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 10.218 7.946 6.245 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 -10.266 22.647 7.130 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 2.697 0.949 2.087 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 -4.163 -10.322 25.242 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 8.941 8.252 11.063 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -0.281 -0.744 0.437 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 -5.891 14.140 11.550 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 -5.661 -13.545 9.032 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 1.021 -0.596 3.460 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 -17.513 21.560 -1.102 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 1.276 -0.309 8.043 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 -4.095 -1.855 -3.251 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 -9.494 23.998 -0.605 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 9.945 -6.929 19.023 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 1.391 -3.123 6.335 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 -10.537 4.627 -9.675 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 4.964 -6.405 10.321 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 -2.712 0.525 -3.037 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 -6.338 8.049 6.376 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 -26.066 10.477 19.796 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 -2.434 4.270 2.440 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 -6.984 -13.757 -9.513 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 1.438 3.636 7.016 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 1.076 6.623 -3.005 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 -9.203 16.899 -5.967 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 -20.330 32.859 -6.897 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 -1.234 1.110 2.925 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 -1.232 2.073 3.636 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 10.788 -4.834 -16.833 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 5.616 9.763 0.378 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 -8.728 6.251 -6.610 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 2.750 14.314 15.889 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 -0.361 -2.756 -4.954 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 -1.219 2.918 -16.131 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 3.654 -5.807 -6.890 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 3.381 1.033 -0.016 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 9.934 8.150 0.582 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 17.545 8.913 14.291 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 -1.675 7.446 -2.955 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 2.270 9.949 1.440 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 -6.149 12.103 -5.863 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 0.963 -2.591 4.614 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 -6.026 -6.937 -1.974 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 9.660 2.838 21.369 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 -6.207 2.588 -4.068 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 -3.984 -1.366 5.395 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 -13.240 -12.292 11.073 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 3.671 1.175 0.654 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 8.601 -0.714 -5.111 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 1.093 2.768 -0.950 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 -1.750 2.497 -3.407 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 8.396 13.659 9.034 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 -12.350 14.754 4.337 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 8.705 2.676 -6.510 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 -1.078 -13.985 -12.955 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 -9.010 -22.095 20.364 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 -0.454 0.774 2.139 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 -7.934 -3.141 3.201 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 13.263 10.918 -8.105 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 -0.937 -0.054 -3.041 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 3.087 -17.123 13.109 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 -4.920 12.666 7.560 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 -1.374 2.270 -0.488 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 7.181 -2.455 2.956 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 3.438 12.324 -7.767 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 1.730 0.498 -3.812 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 0.554 1.505 -3.425 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 -1.602 3.564 -14.597 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 4.650 -2.213 2.658 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 -23.167 14.051 0.326 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 26.636 16.258 9.989 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 2.047 -9.690 10.020 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 -4.817 17.741 3.291 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 -2.878 -0.643 8.569 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 3.944 -1.420 -7.712 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 -7.897 -6.402 -6.062 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 8.719 -10.292 0.446 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 6.081 3.174 1.785 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 11.485 -12.749 -14.960 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 -23.360 11.347 7.612 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 4.256 2.184 0.828 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 4.398 8.950 5.146 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 15.403 -2.476 -0.351 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 -4.084 -1.726 -5.526 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 15.648 -0.294 9.456 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 20.604 1.579 14.932 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 0.911 -2.030 0.425 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 3.398 12.185 4.503 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 16.895 -8.097 -12.106 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 -7.821 -5.624 -0.829 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 -9.356 0.459 13.638 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 -2.834 -15.663 -10.326 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 3.786 -3.326 6.513 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 2.725 15.204 -1.854 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 19.738 -6.896 5.870 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 0.481 2.500 1.517 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 -5.106 2.793 10.225 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 4.604 10.435 -7.046 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 2.447 -3.066 2.590 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 -15.806 -13.237 7.753 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 6.063 4.006 23.742 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 -4.584 4.471 -2.115 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 21.898 41.659 -2.947 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 16.563 8.984 -6.040 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 2.038 0.563 -2.254 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 2.234 -3.544 -2.860 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 4.142 1.786 -0.368 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 0.833 3.196 1.505 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 -19.735 -27.613 5.540 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 -9.753 -19.566 5.128 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 4.480 -8.891 -7.699 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 -1.479 -3.960 -1.567 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 -4.134 -6.633 20.418 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 1.631 1.201 7.454 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 8.592 -17.307 -4.741 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 2.128 10.736 14.304 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 4.239 0.468 1.803 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 -4.978 16.895 14.596 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 -14.741 -13.083 -7.604 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 0.086 4.787 0.639 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 32.343 -13.828 -5.753 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 -1.810 2.009 -3.058 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 -0.464 -1.194 3.857 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 4.099 2.703 -11.977 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 -14.035 23.656 10.337 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 0.016 0.038 -4.077 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 -1.352 -10.486 -6.317 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 -6.064 -0.339 6.258 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 2.829 4.876 -6.259 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 17.967 -11.973 -25.210 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 4.522 3.813 -9.300 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 -2.985 1.553 -6.525 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 -11.300 -9.262 19.859 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 15.034 -15.683 -3.866 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 4.880 -3.193 1.285 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 6.152 -1.754 4.860 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 -13.297 6.561 -44.666 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 7.453 3.739 -2.333 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 3.007 -0.196 3.392 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 -1.515 0.169 8.340 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 -6.807 -0.286 1.155 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 -8.081 7.405 -1.305 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 -14.522 5.439 -13.878 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 -6.114 -4.862 -1.372 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 16.056 -4.765 -3.218 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 3.813 -1.942 -5.365 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 -2.452 -3.959 0.214 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 -10.279 8.766 13.372 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 -4.834 5.137 12.010 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 2.551 1.924 -3.228 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 -12.893 2.797 -7.357 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 4.251 -12.660 1.827 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 1.646 1.322 2.376 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 -13.434 4.378 -11.345 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 -4.605 0.937 -1.274 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 2.739 -0.559 -1.931 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 2.498 -11.153 -6.099 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 3.687 -1.951 8.967 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 4.573 -2.076 0.759 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 -3.604 1.661 -19.541 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 9.437 6.330 -0.946 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 -2.535 3.220 -0.021 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 -7.910 3.467 8.622 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 -9.938 -15.901 12.518 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 5.344 1.153 2.543 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 -14.448 7.962 -21.261 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 -19.086 4.422 23.939 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 0.554 -3.640 -1.264 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 -2.650 -2.724 14.404 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 0.723 -1.093 -6.457 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 0.255 5.779 0.888 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 12.116 -5.065 26.489 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 -7.100 2.712 10.649 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 0.871 -2.764 -1.505 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 -4.664 -22.791 -5.603 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 -8.023 -2.128 0.924 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 0.916 -1.964 -0.426 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 4.951 -5.104 8.493 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 -0.601 3.780 8.896 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 0.622 0.212 -3.971 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 0.775 -19.473 -2.739 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 -19.678 3.238 -5.057 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 0.780 -2.072 -6.237 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 9.454 -0.414 32.439 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 1.233 -5.957 20.614 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 -6.073 5.962 1.809 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 -8.772 9.943 8.041 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 -0.322 -7.306 -5.633 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 -3.114 -7.631 5.582 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 -2.454 -9.981 11.965 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 -2.222 -8.155 11.572 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 -0.628 -6.470 -0.584 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 0.587 -28.233 -11.939 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 -4.696 7.349 8.952 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 -2.551 0.031 7.247 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 5.249 25.377 -7.429 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 24.228 -6.517 5.778 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 1.589 3.733 1.162 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 1.881 28.390 8.372 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 -26.216 0.852 0.778 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 4.982 2.288 -3.243 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 -29.348 9.074 -25.445 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 23.893 18.475 9.913 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 5.576 -5.125 2.241 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 -8.058 8.718 4.882 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 3.679 4.959 -2.510 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 -3.711 2.375 -2.381 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 -2.597 0.966 -3.533 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 -0.173 0.479 -1.365 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 -2.243 -0.958 -1.188 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 -6.129 -0.535 -6.549 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 1.425 -1.203 3.885 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 6.639 -3.189 -0.306 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 -3.934 -3.976 -13.620 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 29.930 0.631 26.830 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 2.414 3.285 -5.578 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 -17.576 18.675 -24.504 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 -8.210 7.897 -22.495 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 3.101 4.358 -1.645 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 -31.806 -4.056 1.871 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 -5.742 16.781 -8.220 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 2.512 -1.954 -2.131 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 0.647 -9.619 -9.798 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 2.060 -6.923 -6.321 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 1.090 -7.906 1.025 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 23.105 -7.209 -8.726 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 16.724 -6.998 -6.050 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 -5.559 -1.305 2.763 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 -3.883 2.336 5.524 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 -9.085 -11.134 5.114 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 0.027 0.643 3.096 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 -3.008 11.400 7.342 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 -13.005 13.205 0.180 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 2.467 -5.147 0.712 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 21.222 10.105 19.598 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 6.984 -33.336 -9.724 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 -0.096 -0.825 -2.738 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 -12.725 8.931 9.346 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 -7.403 5.709 5.602 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 6.601 -0.097 -1.435 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 -3.416 8.446 7.110 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 24.739 1.302 -7.784 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 2.378 -3.531 -3.961 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 -8.154 -1.479 12.075 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 16.517 -6.976 3.742 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 -3.501 -1.868 -5.154 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 1.150 19.308 -16.009 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 -3.700 -21.710 2.229 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 -5.466 1.920 -3.398 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 6.863 -8.021 0.431 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 -1.212 0.550 -2.336 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 -2.087 -2.297 -6.863 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 -1.441 16.535 10.926 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 -14.707 10.685 -2.839 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 8.023 1.490 1.586 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 5.135 0.676 -1.950 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 9.939 4.887 1.120 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 4.653 -2.272 0.023 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 8.337 -7.723 17.312 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 -0.457 1.503 -10.054 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 -1.300 -3.822 -1.086 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 -0.360 -2.437 23.556 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 0.804 -4.128 -14.831 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 2.565 -2.997 1.230 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 4.094 11.460 -19.705 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 -1.242 -1.636 -15.393 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 8.916 -0.621 -1.385 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 13.029 -7.107 0.188 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 3.945 -2.235 1.597 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 2.135 -4.389 0.619 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 13.324 -10.452 -7.330 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 -20.368 11.137 -24.026 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 0.189 3.123 -1.390 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 -1.726 21.329 2.889 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 -3.018 -8.192 14.518 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 8.215 -0.499 0.883 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 6.094 -0.093 -13.475 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 20.974 1.003 3.052 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 -1.891 4.714 4.006 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 0.262 -28.995 3.577 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 -1.116 1.364 11.963 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 -6.447 7.190 -3.904 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 7.165 15.310 9.852 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 20.195 20.988 19.713 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 -4.649 -3.533 4.817 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 11.601 15.654 -11.772 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 -8.793 -1.241 -8.013 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 -2.236 1.708 -4.691 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 0.869 3.431 -5.937 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 -8.672 6.043 -9.837 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 7.766 -3.871 2.352 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 12.024 -4.943 -27.224 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 16.605 -8.521 1.318 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 0.554 0.781 -5.130 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 -10.464 9.865 12.799 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 2.570 3.434 14.801 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 -5.329 -1.671 3.985 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 1.405 -7.824 -8.338 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 -11.345 8.773 19.974 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 3.015 -2.686 -0.030 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 14.419 1.950 2.814 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 -3.631 -19.926 -5.724 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 6.558 -0.330 0.733 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 -0.123 3.156 1.922 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 10.002 -6.824 9.533 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 0.597 3.377 -5.415 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 -0.813 -1.960 1.849 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 -0.655 -0.763 0.039 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 -1.899 1.922 0.537 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 -16.687 -22.130 -3.350 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 15.356 -4.868 23.397 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 5.014 0.480 -1.833 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 4.670 -2.033 25.402 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 30.618 -3.541 -9.101 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 4.874 -1.965 3.639 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 4.027 3.476 9.977 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 7.570 -11.791 17.021 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 -1.018 3.268 -2.381 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 4.001 1.936 3.758 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 -0.970 -11.279 -11.813 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 0.381 3.539 8.829 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 -4.697 9.133 3.589 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 -14.151 4.689 0.002 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 -0.020 1.609 -3.950 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 2.998 3.767 -1.417 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 -0.730 -0.424 -3.086 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 -3.138 -1.174 2.523 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 -5.776 -10.842 3.614 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 4.076 21.870 0.056 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 -0.008 -2.451 3.227 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 -9.871 2.148 -24.951 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 -12.454 9.461 16.766 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 -4.237 -0.524 -6.370 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 -10.416 -6.215 -19.547 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 21.460 17.003 14.031 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 -1.240 -5.952 -4.232 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 -8.860 -16.737 -11.105 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 -19.598 5.899 -0.746 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 -0.029 7.965 -0.540 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 -6.212 -4.671 2.147 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 4.363 -12.922 -5.143 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 0.619 -1.218 2.718 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 -20.219 19.775 -9.825 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 37.320 -10.335 -4.165 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 -1.253 -2.590 -1.972 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 -6.032 -2.170 -8.119 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 1.643 -3.740 7.311 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 -4.422 -4.065 -6.820 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 3.335 13.849 14.916 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 20.398 -12.935 -23.520 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 0.422 4.417 2.506 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 22.934 -11.384 -10.589 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 -19.002 9.456 -20.837 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 0.844 0.050 3.503 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 -6.936 -6.226 -10.012 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 2.680 -22.075 17.906 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 5.061 2.642 -4.827 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 -4.470 0.552 -7.031 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 9.900 0.287 -14.375 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 2.696 1.340 -2.731 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 -6.203 13.274 -6.846 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 5.065 -0.081 -2.800 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 4.493 -3.918 -1.997 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 -3.135 -6.675 0.007 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 -12.299 -7.645 3.946 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 1.216 3.252 0.313 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 -0.016 21.843 -4.363 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 29.139 -2.650 5.939 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 -5.002 -2.796 -2.323 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 0.170 1.999 -15.767 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 -6.346 7.419 -25.276 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 -2.386 -4.078 -2.793 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 3.828 -2.962 -11.187 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 -6.957 -5.499 3.132 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 -0.104 -8.529 6.192 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 1.237 -6.176 12.178 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 -3.037 -6.565 16.867 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 1.287 -2.708 0.549 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 -0.402 -2.447 7.224 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 -4.105 -7.089 0.897 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 -2.415 3.660 3.382 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 -20.515 10.939 -4.195 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 -15.127 6.916 6.608 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 5.432 -4.552 1.032 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 10.360 23.752 -20.497 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 12.409 -5.882 11.266 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 -3.925 -1.461 0.625 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 -8.544 -2.899 -5.790 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 -9.312 -2.827 -8.840 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 1.814 1.967 -1.397 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 7.269 -3.469 -11.314 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 15.239 -3.873 -0.604 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 0.916 -4.773 3.261 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 5.844 -2.221 3.942 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 4.177 -8.441 -0.463 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 -0.784 0.596 4.582 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 5.054 -10.918 4.105 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 3.987 -16.189 1.789 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 -1.542 2.709 -8.258 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 3.936 -6.813 -22.430 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 -1.342 20.660 12.318 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 2.525 -4.597 -5.827 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 3.823 0.995 2.518 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 -10.593 6.942 0.096 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 1.452 0.530 6.089 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 14.791 -14.013 19.294 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 7.984 2.703 8.139 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 -2.595 3.218 -0.479 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 -7.437 2.362 13.802 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 3.476 7.327 -12.049 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 2.381 -1.212 -1.797 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 7.901 -3.164 5.717 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 -0.096 3.190 -0.308 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 3.475 -3.155 0.581 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 -12.106 6.587 12.428 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 14.318 4.242 -6.384 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 -0.275 2.997 -0.359 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 -10.159 -0.972 4.342 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 -4.212 7.677 -10.745 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 6.471 -1.819 -6.213 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 10.884 0.105 32.626 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 -8.313 3.799 6.590 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 -1.740 1.212 -2.330 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 -2.122 -2.834 -1.399 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 3.932 18.724 -4.848 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 3.323 -1.593 -3.148 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 -14.316 19.264 -15.960 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 -9.694 4.841 -4.546 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 -1.182 2.654 3.354 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 2.735 -5.523 0.159 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 0.837 -16.676 0.336 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 1.368 6.264 2.392 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 -11.422 17.566 -6.530 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 -0.898 -5.447 14.282 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 3.735 4.505 0.487 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 9.637 -27.857 -0.540 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 -14.986 6.387 18.035 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 3.108 -0.521 0.562 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 8.087 -6.841 1.173 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 16.148 2.478 -13.325 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 6.248 -3.090 -1.422 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 8.880 9.716 8.076 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 11.074 -8.849 -3.384 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 -5.459 3.611 -6.101 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 -6.727 5.676 -17.991 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 -3.329 1.509 9.421 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 0.032 -7.399 -0.311 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 -11.347 -11.262 1.127 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 7.579 -18.192 2.665 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 1.740 3.751 -0.892 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 -14.309 0.296 2.503 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 -8.193 -8.249 9.588 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 -3.464 -0.164 4.000 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 -0.286 -0.550 -1.299 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 1.549 -3.220 2.775 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 4.174 5.887 2.071 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 -10.652 9.338 10.744 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 -1.734 3.094 -11.604 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 -5.163 2.897 -6.408 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 1.468 -23.956 1.190 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 10.872 -4.196 -0.099 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 -1.344 -4.417 -1.092 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 -19.555 -10.464 -21.355 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 6.118 -7.942 16.642 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 -1.063 -3.390 1.669 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 6.408 5.782 5.550 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 5.966 -14.083 -9.586 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 3.374 1.732 0.795 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 4.955 1.653 4.996 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 -3.657 5.779 12.575 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 -3.030 -4.981 -2.827 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 -5.092 -0.945 15.742 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 8.746 -4.526 36.217 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 -2.695 3.318 3.097 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 0.611 -10.969 1.295 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 -15.777 20.922 -4.152 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 -3.504 -2.470 3.997 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 1.789 -17.720 4.613 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 12.303 0.990 -3.541 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 0.702 -1.484 1.994 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 0.822 5.667 13.719 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 1.456 -8.110 34.935 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 0.017 1.416 -9.639 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 7.782 -11.902 -13.138 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 -5.138 2.093 -13.583 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 -3.163 3.324 -5.982 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 1.746 -2.226 0.125 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 -1.322 11.711 -3.876 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 1.784 1.011 -5.096 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 1.097 5.146 -21.470 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 0.844 1.233 -6.878 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 5.257 4.553 0.473 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 8.593 -2.599 -5.757 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 -13.449 -10.234 -2.500 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 2.578 -4.155 -6.898 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 10.931 5.274 -9.545 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 3.767 16.959 10.361 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 -1.722 4.279 7.396 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 -19.411 -2.010 -14.710 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 -1.428 -0.490 18.743 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 0.841 0.336 2.146 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 -5.540 -1.342 13.342 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 3.391 17.443 7.367 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 1.766 -1.762 0.314 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 10.477 11.812 14.458 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 -7.783 -17.241 11.778 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 -4.963 3.126 1.942 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 -15.348 -20.287 -8.981 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 -8.695 -19.245 -6.321 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 -2.036 -3.094 3.877 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 0.067 7.904 4.505 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 -4.030 13.184 2.370 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 -0.252 -2.919 3.867 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 -7.794 17.903 -20.483 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 1.855 5.953 -7.300 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 -8.164 -3.942 7.103 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 -4.773 -4.874 3.950 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 -6.654 -3.080 6.595 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 6.005 -8.284 -7.682 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 0.818 -10.249 -10.101 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 12.141 -5.594 -0.612 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 -5.984 0.991 -1.068 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 10.353 -2.040 -1.936 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 -13.576 -11.103 -4.715 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 5.111 1.779 2.799 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 5.692 7.785 7.053 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 6.331 -4.918 12.520 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 -1.013 4.569 4.097 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 -25.748 6.535 17.927 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 11.208 2.399 -13.927 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 3.176 0.158 -1.344 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 1.221 9.466 -4.661 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 15.352 -1.992 13.992 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 1.124 -6.156 3.426 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 2.894 10.902 -16.966 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 6.242 9.922 -2.151 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 -5.389 -4.196 0.790 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 -5.530 7.856 -3.332 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 -5.166 -7.507 -0.039 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 4.136 -7.346 4.073 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 -12.622 -1.164 1.931 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 8.748 -14.581 -11.178 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 4.182 1.557 1.075 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 1.174 -21.677 -13.310 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 20.513 -15.740 -18.166 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 -7.537 -1.331 -2.348 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 11.119 5.401 14.183 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 -13.365 -27.391 1.909 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 0.380 1.787 -7.714 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 -6.604 2.475 -5.882 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 0.362 3.983 -29.646 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 -2.810 -2.313 -0.156 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 28.355 10.945 2.002 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 10.019 4.458 5.734 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 7.015 0.018 -2.621 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 5.125 0.197 -3.196 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 11.674 3.198 3.186 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 0.561 -4.689 6.759 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 -0.963 6.098 10.901 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 1.402 5.102 2.931 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 1.869 6.103 -0.445 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 7.868 -10.030 -9.102 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 -9.829 7.778 6.688 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 3.356 -1.293 3.013 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 -4.353 5.369 11.615 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 0.535 1.903 5.540 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 -0.956 -3.640 12.640 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 1.795 -12.212 7.121 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 -2.191 5.527 1.626 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 1.499 0.705 -9.735 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 -4.198 9.316 -4.416 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 -8.813 -12.707 14.345 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 6.716 -6.068 5.084 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 18.928 2.024 0.009 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 14.056 3.423 5.021 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 1.209 -5.456 -0.839 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 -12.763 -22.884 5.130 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 8.720 7.515 7.252 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 -1.483 4.926 6.443 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 -11.073 -16.242 -7.910 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 1.590 -1.376 10.077 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 4.960 -2.704 -2.990 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 6.342 3.978 1.413 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 -4.295 -10.239 -21.028 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 4.341 -3.340 -2.936 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 -20.533 -7.916 12.352 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 -3.915 -6.509 0.674 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 2.289 0.294 0.052 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 3.778 -14.240 -14.751 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 6.754 -19.004 -0.878 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 0.822 -0.141 -6.171 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 -10.549 -3.931 27.098 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 10.392 -4.365 7.755 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 -2.422 0.707 -7.859 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 -1.134 -2.363 -10.254 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 -15.675 26.239 23.734 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 -6.795 -0.995 -6.002 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 -0.506 -3.545 15.611 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 -9.558 2.544 -6.889 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 0.627 -0.577 4.530 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 -10.939 14.623 18.892 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 10.930 15.826 -13.517 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 -0.206 -4.225 0.448 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 -0.454 -2.958 -0.403 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 0.106 -6.293 4.968 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 0.791 3.357 1.495 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 -14.202 -3.325 -6.027 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 -2.179 6.332 9.899 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 4.964 -3.645 -0.108 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 -2.404 -6.067 21.606 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 6.652 -4.458 6.234 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 3.346 1.434 -2.344 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 -3.998 -19.643 -1.341 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 9.186 -21.830 7.801 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 2.542 -1.346 0.129 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 3.539 26.968 -9.235 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 35.283 6.646 -6.290 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 -0.022 -4.777 -1.665 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 16.597 13.197 -18.341 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 -11.590 -12.837 -9.464 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 -0.827 -4.185 -4.508 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 23.320 -10.316 -0.574 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 4.306 5.126 -10.418 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 -2.016 -2.762 2.901 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 1.618 -5.252 12.654 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 -4.374 -6.381 5.481 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 -0.855 0.583 -0.927 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 -20.331 -20.666 -8.026 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 23.389 -4.620 26.480 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 4.918 -3.730 -0.765 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 0.876 3.973 9.778 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 3.302 3.667 -8.821 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 -4.895 0.330 3.908 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 -26.044 8.258 13.375 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 -8.360 -19.545 -2.856 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 0.671 1.487 -9.147 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 -3.345 13.928 -5.557 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 -13.560 19.190 1.065 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 5.245 -8.113 -1.734 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 -0.586 -4.108 -12.343 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 11.242 -12.400 7.142 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 -2.538 -0.683 0.683 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 -6.889 -16.667 5.269 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 3.540 14.239 19.949 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 -7.519 5.861 1.964 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 -20.666 0.819 -16.678 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 8.231 1.471 -5.825 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 -5.193 6.950 6.355 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 1.316 -1.534 -1.538 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 -3.076 1.522 15.436 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 -6.292 1.033 -0.104 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 20.715 -1.630 -7.925 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 -15.737 -1.341 0.572 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 3.318 -4.257 0.769 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 -18.598 -23.265 18.314 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 11.733 21.068 -6.753 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 -5.644 -4.080 -4.391 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 -1.728 -5.046 -5.658 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 1.213 -13.727 -19.677 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 4.132 3.605 1.308 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 1.666 -1.213 -17.627 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 5.229 -7.683 -11.773 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 2.861 -0.562 -1.511 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 2.941 12.772 -0.278 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 -7.939 -4.639 10.541 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 -1.304 -2.293 6.906 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 5.860 2.687 -0.012 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 -2.250 -2.455 7.388 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 -6.909 -0.858 3.243 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 -9.492 -9.458 -21.752 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 -4.116 -0.892 -2.439 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 0.824 6.157 -8.807 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 1.156 6.313 -8.360 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 19.503 -7.205 2.921 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 0.976 -8.160 0.520 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 -10.311 -26.512 16.336 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 -9.802 -0.530 4.350 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 0.313 7.326 -0.351 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 -32.578 -23.106 -8.501 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 -10.618 -3.723 -4.918 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 5.171 0.957 5.109 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 -5.343 -34.267 5.735 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 3.928 -3.099 5.761 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 -1.823 -1.301 -0.574 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 9.184 -2.476 -8.231 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 -5.087 2.923 17.113 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 -0.207 1.232 0.677 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 2.391 4.695 12.623 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 -7.302 0.158 -9.273 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 2.816 4.378 -2.162 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 -13.306 15.200 2.625 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 4.223 8.026 0.513 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 2.784 -2.227 -9.088 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 5.084 -15.451 -9.485 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 9.497 1.500 -15.494 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 9.227 -1.102 0.263 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 4.061 20.174 6.515 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 11.794 -8.524 -1.011 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 -5.731 3.318 -4.825 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 -16.732 24.632 -3.183 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 -0.094 -8.827 28.161 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 -5.113 2.805 -3.128 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 -17.188 -2.085 11.162 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 -12.627 3.325 9.775 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 -0.999 0.803 -1.843 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 15.552 2.587 -9.950 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 -33.229 7.060 1.052 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 1.930 -5.563 -1.022 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 -11.979 -16.353 -7.260 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 2.297 -23.773 13.090 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 -3.506 -0.499 1.764 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 -10.299 -4.513 1.773 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 7.116 -8.573 -3.239 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 -1.510 -1.509 -1.197 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 -16.230 -2.640 5.924 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 3.523 -2.472 1.698 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 3.481 -0.268 4.502 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 -12.338 16.363 5.643 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 -0.216 -3.199 2.105 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 -9.118 0.419 -0.111 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 -16.235 3.162 5.203 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 -6.564 -11.253 -16.163 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 -2.975 -0.408 -3.186 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 -11.504 6.645 -13.462 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 -6.495 0.750 -8.898 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 1.799 -1.303 -2.591 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 13.018 -5.064 -11.163 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 8.171 -6.833 -4.122 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 4.322 1.458 0.244 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 -16.701 0.859 -28.050 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 13.529 -29.172 0.837 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 1.799 -7.448 2.148 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 3.935 -4.976 6.017 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 -0.569 -4.380 6.393 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 -1.297 0.972 2.990 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 -18.476 19.673 9.574 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 -3.420 -7.690 33.758 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 5.837 -3.186 -5.336 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 22.903 7.492 0.757 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 17.372 -48.442 -2.308 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 -0.627 1.583 2.202 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 -1.077 -4.726 13.261 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 -3.858 -4.301 10.224 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 1.115 -10.607 -2.298 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 9.493 -9.716 -4.999 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 21.335 -5.887 -12.701 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 -0.353 -1.376 -5.533 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 -7.236 -1.391 -0.655 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 -7.471 13.699 9.390 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 -0.375 5.723 2.328 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 7.287 -14.535 13.794 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 8.017 -7.177 10.839 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 -0.054 1.631 3.366 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 11.393 -13.886 -1.006 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 10.898 -11.588 0.707 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 -0.156 2.806 3.402 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 0.178 14.197 7.261 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 2.437 8.645 -10.555 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 1.140 -0.629 6.570 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 -7.563 -4.621 -2.989 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 11.843 13.739 1.031 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 -0.942 -3.750 -0.348 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 2.362 8.155 -10.011 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 9.443 -15.968 -4.053 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 0.795 4.878 1.059 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 0.369 1.067 20.387 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 -27.621 -7.131 -9.445 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 1.862 3.513 2.816 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 -4.187 13.117 4.261 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 -14.148 -1.894 -2.887 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 2.861 -2.974 0.354 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 -0.668 2.884 10.878 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 -0.512 9.011 1.917 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 -0.329 -1.616 7.057 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 0.884 -7.743 7.317 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 0.156 5.797 5.103 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 -1.699 -2.629 -4.905 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 2.437 -7.931 2.911 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 -8.851 13.482 -9.821 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 2.225 -6.737 4.330 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 -8.877 2.222 6.121 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 -2.621 -17.555 -22.921 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 1.859 2.384 -2.806 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 6.831 11.734 -31.750 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 0.658 8.223 -20.665 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 -7.517 -0.326 4.361 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 -2.249 8.116 -20.585 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 7.358 11.859 13.123 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 1.563 3.989 -8.255 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 7.420 -6.139 -14.407 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 -3.714 10.174 -5.316 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 3.504 -2.547 -0.527 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 6.274 -1.736 -11.580 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 12.603 2.505 6.168 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 5.259 1.627 -2.202 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 3.641 -4.938 -3.231 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 10.150 -9.578 9.974 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 -0.410 -3.894 -6.682 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 -11.343 -9.743 12.599 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 -3.229 -7.569 -0.751 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 -0.795 -1.684 -12.659 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 1.405 -3.534 -17.209 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 -4.843 -0.779 -14.025 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 -6.310 -1.317 4.282 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 0.473 39.209 -4.296 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 -3.064 17.062 -2.590 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 -4.658 2.149 2.768 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 -5.168 11.408 -10.769 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 -11.081 13.862 7.779 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 -0.791 5.445 0.717 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 5.777 -5.084 10.776 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 5.260 -17.106 17.954 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 -8.819 0.995 1.745 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 -7.642 2.666 -4.813 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 -5.160 -1.267 7.989 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 -4.103 -1.088 0.288 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 2.444 29.387 -15.475 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 -4.489 -3.452 2.048 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 -0.895 -3.243 1.597 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 -11.338 -13.800 -3.305 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 0.610 13.216 -9.771 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 2.515 3.141 -2.307 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 -10.784 -0.684 5.482 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 -4.341 1.624 25.710 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 1.989 -7.037 -2.698 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 1.102 1.440 -18.295 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 -4.572 11.791 -3.284 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 3.387 -0.489 1.983 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 9.867 2.606 -4.998 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 -10.778 15.673 -19.206 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 3.089 -5.975 6.603 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 -3.642 -13.604 13.633 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 3.557 -3.968 3.371 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 5.195 -2.927 1.059 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 6.201 -9.808 -23.239 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 1.080 9.537 -9.043 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 -0.549 3.541 2.768 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 -0.258 21.669 1.208 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 0.226 -8.697 4.491 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 -1.316 -1.937 0.894 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 5.128 -4.101 9.157 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 -6.483 4.819 -3.420 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 1.962 -8.870 -4.224 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 -16.781 -18.470 -2.984 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 1.171 1.195 4.194 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 -2.676 2.214 2.500 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 -4.510 0.693 9.262 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 -7.008 6.090 -0.564 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 0.459 -3.140 2.678 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 11.532 -5.830 -6.370 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 -2.354 -10.090 -3.192 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 -2.991 1.901 -1.756 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 -12.571 17.739 -15.390 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 2.397 -8.920 -24.722 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 2.107 6.870 -1.267 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 -2.730 15.948 2.025 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 5.007 -0.011 -3.235 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 -0.070 1.609 -4.191 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 -4.769 -0.773 -5.352 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 5.300 4.763 -7.529 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 -1.821 0.390 -3.517 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 3.463 -1.873 -6.685 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 -4.136 -5.069 0.913 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 1.093 -0.511 -3.193 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 19.448 17.233 -0.986 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 -3.874 -7.153 -3.808 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 -2.819 -4.009 2.555 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 -0.620 -1.420 4.689 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 -7.917 -13.543 3.259 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 1.719 -3.405 -3.134 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 12.538 33.256 -0.232 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 -2.983 -16.113 -2.405 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 5.771 4.194 -4.575 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 10.637 24.850 -32.142 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 16.991 0.864 5.044 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 -1.680 1.240 5.346 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 7.557 -10.149 4.998 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 -14.790 -15.048 0.989 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 -3.119 -2.741 5.481 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 -5.735 18.955 -5.167 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 -1.966 -1.278 4.787 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 -1.795 2.498 -2.241 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 6.628 -4.493 -3.505 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 2.267 12.927 2.171 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 0.320 -3.853 -4.397 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 -7.390 -2.289 -7.810 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 0.759 -11.484 -1.473 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 -0.821 5.265 3.050 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 -16.446 2.212 8.226 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 15.920 -21.916 -7.513 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 -0.397 -0.016 -0.344 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 -2.398 -6.573 26.779 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 24.064 11.142 -4.068 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 0.096 1.563 5.654 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 -16.891 1.612 18.333 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 13.795 -12.219 16.236 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 -1.079 -1.966 -5.194 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 5.199 10.280 -19.049 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 -4.514 20.026 0.337 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 -0.715 2.915 0.113 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 -12.653 -4.620 3.311 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 -4.505 -4.221 6.872 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 -0.541 4.528 -8.463 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 10.297 5.185 -4.310 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 14.659 -2.392 -13.519 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 -7.861 4.257 0.870 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 -1.099 23.346 -5.368 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 -12.305 -12.738 29.861 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 5.381 1.391 5.718 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 13.059 3.224 19.694 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 -18.995 -4.871 -15.627 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 -0.576 2.146 -2.774 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 3.615 -0.178 4.149 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 7.127 -9.770 -1.729 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 1.856 2.654 -3.943 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 17.177 -6.872 19.641 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 1.222 -5.503 -13.855 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 -1.116 -4.639 1.714 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 -9.101 5.173 2.069 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 -5.901 -9.748 3.289 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 2.160 1.963 -4.265 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 -9.777 -23.240 0.042 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 -9.754 -25.107 18.918 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 -2.747 1.577 -2.269 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 -4.568 -7.023 -17.912 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 -16.357 -5.514 -15.755 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 1.756 6.232 1.384 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 6.796 7.935 -4.939 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 0.681 12.286 -4.996 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 -2.700 -1.672 5.286 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 -0.594 -16.095 -1.455 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 0.911 -0.006 -0.061 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 -5.513 2.601 -0.136 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 -3.171 11.799 5.527 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 -5.786 13.992 3.412 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 -5.754 -0.971 -0.788 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 -6.433 -16.192 -13.596 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -3.047 0.042 -3.745 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 -3.167 2.991 3.959 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 -5.058 6.753 7.947 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 -5.961 -13.141 6.996 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 -2.510 0.412 -6.917 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 5.288 1.770 -15.103 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 10.799 -6.985 -18.183 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 -1.236 -1.275 -3.754 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 4.798 -5.086 19.682 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 14.313 2.024 2.512 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 -2.581 -6.266 4.530 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 -14.503 -12.417 0.417 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 13.348 -4.422 -12.955 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 7.934 1.788 -0.531 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 9.738 -12.719 -20.045 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 5.021 21.056 16.758 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 3.334 0.131 -7.779 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 7.285 21.089 -32.848 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 21.748 -3.375 3.740 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 -0.818 -0.092 -0.676 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 -8.852 -0.540 20.905 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 3.331 22.232 -4.749 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 -6.635 -1.970 -1.892 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 -3.867 7.606 21.943 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 16.629 4.157 -14.246 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 0.872 -5.140 3.982 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 -1.502 -2.724 2.211 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 -7.398 -1.514 -2.833 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 -2.984 0.000 2.173 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 1.312 -20.663 -8.855 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 1.610 -13.413 -8.106 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 1.082 -1.166 -2.473 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 16.402 -0.843 -1.200 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 -24.636 -17.499 26.550 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 -1.028 1.361 0.843 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 3.801 3.674 -0.217 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 -15.464 -15.322 6.478 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 6.422 -3.910 -5.498 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 -5.871 10.344 -6.041 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 -17.908 17.749 -8.696 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 0.055 -3.925 -3.546 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 7.240 -15.903 -0.843 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 -3.665 7.134 4.295 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 1.633 -2.011 6.393 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 -10.466 7.972 -6.529 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 -9.416 -7.583 18.928 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 -4.534 8.419 0.026 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 0.127 29.729 -14.467 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 -7.683 21.501 7.996 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 -3.071 -4.747 0.911 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 -3.849 -7.377 -19.914 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 2.337 8.367 -4.693 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 0.497 -6.211 -0.383 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 -22.536 -22.749 -12.466 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 -13.686 -9.608 26.542 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 1.508 3.877 1.751 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 3.403 -6.811 11.749 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 -1.625 -8.923 3.535 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 7.772 0.357 -4.660 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 8.742 -7.377 17.910 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 6.084 -3.167 -13.950 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 2.551 7.954 -3.915 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 24.480 5.444 -6.199 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 13.600 -0.874 -7.696 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 2.095 2.003 4.702 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 9.781 -1.398 3.106 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 -2.181 2.014 -3.051 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 -4.977 3.079 -6.623 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 -5.664 -13.115 -10.301 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 -2.583 1.417 -5.395 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 2.650 -5.737 -0.579 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 1.631 9.804 2.900 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 6.009 -8.764 1.694 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 -5.027 -2.416 -4.727 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 -6.290 10.327 -2.449 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 -8.407 -10.234 18.338 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 3.550 -3.125 2.471 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 5.903 -6.580 7.426 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 0.628 -1.653 14.045 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 1.774 -1.718 2.846 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 10.976 -6.325 0.143 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 16.231 -9.113 -3.003 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 0.561 -1.975 6.543 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 -4.550 4.677 3.030 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 -5.246 6.647 3.710 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 6.662 -3.240 1.262 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 5.632 -4.210 12.847 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 -9.467 -12.908 11.896 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 3.735 1.888 5.888 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 14.934 4.361 9.104 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 -0.477 -0.881 3.947 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 7.908 -3.070 1.312 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 -5.887 -0.690 10.685 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 6.793 11.482 -5.645 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 -2.894 -6.070 1.747 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 -2.038 5.176 -11.296 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 11.901 8.342 13.134 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 5.641 -2.599 4.202 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 19.355 16.537 -10.654 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 -1.095 -22.336 -18.148 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 0.362 2.027 4.847 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 -1.999 -0.435 -4.470 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 16.917 -6.044 1.447 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 3.347 -1.343 -2.998 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 0.621 4.946 -21.489 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 4.397 -16.475 18.924 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 1.647 -5.795 -5.643 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 5.656 13.692 -5.940 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 -18.385 -4.731 -6.528 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 -4.572 5.854 0.694 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 1.345 14.729 7.056 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 2.010 -5.087 -3.628 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 -4.146 0.316 2.058 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 -0.553 -44.394 1.148 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 11.546 -13.007 5.866 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 -1.781 -6.217 4.571 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 19.478 -5.954 -11.332 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 4.509 1.967 -7.829 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 1.486 -5.365 6.327 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 -5.153 3.395 0.318 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 2.741 -7.476 13.477 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 4.112 0.079 -1.737 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 1.652 -23.595 -7.275 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 1.771 7.790 -6.857 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 -1.203 4.680 -3.325 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 -12.811 2.311 8.794 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 -17.802 -0.504 12.656 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 9.271 1.213 6.983 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 10.509 -1.305 -2.270 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 8.091 -1.214 18.550 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 -1.197 -1.619 -1.835 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 -9.189 1.138 -19.120 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 7.733 16.828 10.369 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 -2.466 -0.240 -3.993 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 9.924 -7.585 1.694 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 -15.835 22.501 -5.084 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 2.662 -0.396 4.703 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 -2.768 22.042 3.965 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 -6.841 -13.772 0.191 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 -0.405 2.069 -1.333 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 -4.769 -6.964 -38.286 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 4.945 -21.016 17.332 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 -0.781 3.484 -1.906 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 -26.180 11.717 17.437 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 3.671 -3.422 -9.717 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 5.809 -2.819 -2.707 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 11.347 15.501 4.843 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 7.696 13.278 2.318 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 7.842 -5.033 -2.117 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 4.442 -9.254 13.293 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 12.844 -11.970 6.995 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 -0.079 6.154 0.282 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 -30.216 10.092 -13.816 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 -13.140 -9.050 9.331 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 -1.110 -1.595 -2.028 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 -7.726 1.481 -5.362 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 1.346 3.884 3.033 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 -7.391 3.522 -0.225 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 0.933 18.129 12.680 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 -0.376 6.758 -16.994 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 -5.090 2.252 5.489 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 -9.889 2.354 2.613 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 1.498 0.793 5.029 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 -8.285 4.920 -1.008 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 -3.447 -26.182 -12.990 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 -4.580 19.892 16.305 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 3.678 0.228 2.137 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 6.182 -13.931 -14.865 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 0.442 19.156 -7.859 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 -2.730 2.683 -7.219 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 8.331 0.453 -1.120 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 -10.662 -3.770 -0.249 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 -3.812 3.261 0.261 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 -1.814 -15.166 9.592 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 -33.774 -11.446 8.634 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 -2.344 -3.721 8.036 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 -4.306 -9.320 -3.001 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 1.999 -6.232 5.741 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 -5.110 3.985 -1.309 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 -0.496 11.876 6.036 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 -3.326 2.277 4.891 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 4.494 1.586 1.208 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 -1.304 2.724 -15.754 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 4.653 -2.800 -12.597 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 -0.279 -5.466 1.815 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 -3.287 5.484 -10.759 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 -0.181 2.819 -2.895 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 -0.178 1.552 -4.674 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 -14.960 -19.961 15.336 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 34.618 8.353 7.956 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 -0.081 4.128 0.148 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 6.708 9.149 1.735 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 3.656 20.769 -10.306 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 -6.752 6.162 -1.731 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 -18.020 5.659 -13.759 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 -24.569 0.832 -2.774 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 -1.816 -6.184 1.749 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 6.189 5.604 1.783 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 -6.555 2.872 0.218 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 -5.902 -0.252 -0.688 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 -8.834 11.547 -16.081 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 -9.305 4.778 19.870 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 -8.249 -7.591 1.351 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 -0.994 -10.988 5.148 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 -32.561 7.199 -8.643 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 5.885 -4.384 11.577 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 11.388 -11.219 -0.857 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 25.257 -4.206 14.348 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 -1.099 6.250 1.087 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 1.152 -6.375 16.690 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 1.318 3.307 0.825 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 -5.855 -1.581 -1.460 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 9.949 -0.409 -10.270 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 -10.907 -4.363 3.019 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 2.003 -4.528 -1.547 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 1.212 -2.620 -7.904 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 2.694 -9.944 20.034 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 2.369 -1.846 -0.734 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 -5.966 1.255 -6.351 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 11.942 -5.760 4.609 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 4.398 -0.270 -0.310 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 3.159 0.478 -0.118 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 8.209 -4.140 -2.490 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 -3.469 -0.395 -0.720 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 -4.501 -0.332 -12.227 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 -9.673 -8.273 2.998 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 -0.738 -7.303 7.258 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 11.112 13.122 -13.139 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 8.815 4.422 -10.440 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 5.805 2.803 -3.657 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 6.555 1.059 -11.316 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 20.274 -6.693 17.370 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 5.365 -3.983 0.286 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 15.228 2.682 -15.806 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 4.924 3.570 -10.363 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 -3.838 -4.843 -2.155 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 -2.185 13.166 3.681 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 -4.789 2.007 0.689 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 -6.849 1.997 -0.607 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 -2.867 14.754 14.625 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 -9.915 9.432 0.612 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 -3.034 1.187 -1.759 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 -0.944 12.114 -6.095 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 1.986 1.486 10.395 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 -5.390 -9.961 -3.577 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 -14.991 10.087 -14.256 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 -19.397 -12.974 14.721 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 -1.230 -3.888 -0.896 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 -6.336 -17.751 3.631 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 -1.441 -5.609 -6.138 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 -1.556 5.124 1.835 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 -8.667 21.501 -4.056 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 -1.229 -3.745 -13.204 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 3.139 -0.588 1.864 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 6.470 -5.271 32.100 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 4.269 0.499 -6.098 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 3.525 0.781 -0.739 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 5.746 -15.788 -8.251 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 -7.979 -0.600 0.792 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 4.997 -5.086 -7.126 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 11.899 -8.676 -11.588 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 13.218 -21.953 -1.845 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 -1.812 0.079 -2.018 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 -14.578 -10.324 16.837 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 4.477 24.540 -27.093 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 0.110 6.503 -7.186 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 15.526 22.681 10.504 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 4.062 7.973 -7.649 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 -5.836 2.293 2.130 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 14.007 9.831 -26.717 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 16.234 3.025 18.516 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 1.100 -2.307 -3.782 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 10.177 13.363 1.690 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 4.946 16.849 -0.289 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 -2.755 2.392 6.550 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 -8.045 1.284 -3.458 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 -4.815 -10.198 -8.137 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 -1.351 -2.582 3.397 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 1.724 16.915 13.568 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 -10.140 -16.221 -18.057 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 3.664 -2.323 4.005 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 -1.769 16.426 13.018 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 11.056 11.855 -29.662 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 2.791 -1.691 -0.893 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 4.970 -11.001 -21.023 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 1.476 7.091 24.417 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 3.870 -1.900 -8.167 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 -6.390 4.866 -21.682 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 -14.356 -0.295 -8.664 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 0.617 -1.197 7.109 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 1.787 -11.232 12.916 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 4.266 8.686 -15.570 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 1.227 -7.098 1.089 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 11.290 2.994 5.537 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 -8.679 0.517 1.108 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 -2.073 0.750 3.676 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 5.461 9.957 3.824 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 18.914 4.057 3.128 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 2.579 0.060 -4.864 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 12.744 17.289 -11.353 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 15.327 -6.762 -3.333 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 -5.269 1.867 8.885 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 19.132 13.946 18.493 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 -5.607 14.317 -4.500 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 0.586 -7.815 -0.136 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 -4.633 -16.602 1.257 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 -9.052 4.974 9.768 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 -1.137 -1.402 0.317 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 4.948 -10.069 -10.554 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 1.797 0.798 1.125 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 -0.848 4.272 6.961 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 -6.876 -10.717 12.298 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 1.150 -3.384 11.376 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 -2.258 3.318 -0.931 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 -2.844 5.151 -6.378 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 -12.030 10.434 4.302 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 7.495 2.671 4.389 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 11.621 4.297 -13.805 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 -4.476 -4.110 4.371 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 1.132 3.980 -6.236 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 -3.705 -4.902 6.861 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 27.910 -14.612 3.892 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 -7.031 4.639 2.506 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 -21.813 3.207 -19.970 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 8.847 20.933 3.326 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 -4.930 -1.592 5.612 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 -7.551 -4.765 -8.236 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 -7.909 -5.487 1.329 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 3.582 0.838 0.344 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 6.475 -1.346 20.153 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 -12.302 7.018 -12.515 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 9.574 1.707 0.647 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 1.165 -7.085 -0.884 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 16.936 2.317 -6.545 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 3.054 0.682 1.615 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 -5.930 6.778 5.807 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 13.411 -7.826 -0.861 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 0.914 -4.646 4.103 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 0.033 -9.020 -4.567 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 -7.390 -4.794 3.633 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 -0.730 2.831 -5.701 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 -23.106 -6.704 6.340 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 -1.846 13.913 -8.930 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 1.290 3.047 -6.525 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 25.421 -4.315 -3.565 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 -9.231 -15.692 -12.442 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 3.674 1.812 5.453 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 29.530 -8.898 -9.112 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 -16.060 -11.466 -6.258 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 1.889 -0.263 -3.163 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 8.028 3.908 -2.061 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 -19.924 -14.647 -7.840 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 -0.158 -6.433 -1.496 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 -12.775 -11.440 -26.996 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 -15.913 16.626 8.525 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 -0.956 -4.575 5.102 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 2.822 -0.716 -5.960 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 4.991 -11.330 -8.457 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 4.075 7.169 -3.060 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 16.627 -19.596 5.941 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 7.153 5.345 -3.348 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 -1.607 -0.330 3.493 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 -4.483 -19.415 -14.248 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 9.702 -11.372 24.353 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 2.951 -2.445 4.043 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 -7.640 25.379 -5.007 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 0.168 4.443 1.155 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 0.966 -5.129 1.865 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 -0.964 -14.304 13.925 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 -13.142 -7.396 0.272 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 -1.313 -10.866 -0.781 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 10.468 -19.428 -9.655 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 7.315 -0.158 -2.544 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 -0.589 3.194 -7.579 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 -17.102 9.454 -5.140 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 10.378 -0.094 7.191 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 -2.387 -4.059 -0.244 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 10.135 21.454 0.899 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 -15.955 3.703 11.472 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 3.911 3.879 -0.969 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 1.442 2.553 -5.974 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 4.288 9.021 -0.993 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 -5.532 -4.755 3.761 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 -7.403 3.158 -3.206 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 -13.912 -8.571 5.402 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 -6.320 3.480 1.441 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 -7.472 -0.496 -3.658 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 -3.497 8.032 7.879 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 -3.223 -9.697 -1.527 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 -16.773 -4.527 0.917 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 5.472 -12.089 -5.235 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 2.285 0.432 1.173 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 -7.444 -4.200 -0.721 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 10.979 -2.146 8.498 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 -1.136 0.792 3.230 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 -3.609 -2.471 -2.121 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 0.903 5.576 2.718 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 5.877 4.450 -2.154 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 0.097 -4.467 -9.267 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 8.448 30.075 7.441 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 2.277 1.728 -1.510 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 -11.304 -4.625 19.645 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 2.357 -19.372 5.536 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 5.981 1.711 1.894 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 -10.133 -15.356 14.138 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 9.056 4.222 10.155 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 1.014 0.390 -3.854 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 11.268 -0.754 -33.971 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 -6.365 1.884 16.056 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 1.131 -8.333 -1.967 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 -26.029 3.356 3.412 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 7.140 -17.296 13.480 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 -1.410 1.027 0.251 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 4.560 11.980 -9.883 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 1.191 -3.707 4.200 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 -0.300 2.402 9.859 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 14.593 -0.221 13.465 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 -12.274 -0.401 12.002 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 0.399 -0.733 -0.277 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 -18.227 15.241 6.330 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 0.401 -2.709 -1.175 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 1.986 -3.607 -1.249 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 3.037 5.068 -7.691 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 -9.511 -1.339 13.748 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 -2.602 2.245 -8.145 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 2.481 4.154 -0.400 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 0.288 -6.487 -3.332 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 -6.102 -5.176 0.801 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 -29.285 -5.094 30.083 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 -19.531 5.277 22.467 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 0.639 -10.909 4.300 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 10.591 -12.936 -2.126 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 -1.326 -8.671 8.619 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 -1.024 -1.463 5.774 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 5.111 -0.874 7.041 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 9.045 11.063 6.003 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 3.996 1.035 -5.969 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 10.703 5.925 2.800 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 -7.146 -6.708 2.698 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 2.792 0.842 1.987 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 -19.732 11.286 1.705 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 -19.337 -9.332 -3.947 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 3.161 4.405 1.314 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 6.969 -3.231 -1.510 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 2.038 -0.372 -1.470 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 -1.479 -0.509 3.244 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 0.140 0.330 -1.600 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 6.663 0.255 -1.144 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 1.564 -3.339 2.048 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 -4.498 2.712 -5.275 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 -3.775 -3.683 -2.976 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 0.780 -3.168 2.915 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 -6.085 1.362 -2.076 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 4.280 -1.461 -0.242 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 2.220 -2.798 -2.642 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 -3.107 -0.156 -1.121 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 -2.810 2.543 1.066 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 -0.408 -1.055 -5.317 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 1.655 -2.481 1.752 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 0.118 -3.595 -2.700 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 -4.555 -2.349 0.293 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 -3.299 2.763 -0.325 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 4.492 -2.072 5.652 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 0.325 -1.407 -0.384 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 2.154 6.038 0.585 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 -1.164 3.337 -5.023 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 6.370 -1.693 0.624 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 0.825 -3.164 -0.931 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 -0.471 1.927 -5.196 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 -3.225 1.654 0.305 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 -0.721 1.327 0.356 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 0.121 -3.846 -6.891 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 -2.286 -2.090 0.685 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 -1.737 -2.576 3.200 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 -4.755 -0.600 0.113 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 -2.298 -2.374 0.950 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 5.556 0.149 -0.586 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 -3.319 3.575 1.940 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 0.015 -1.295 -0.205 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 4.323 -3.698 -0.148 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 -0.352 -1.291 -1.788 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 -1.292 -2.813 4.232 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 5.044 -3.447 6.878 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 0.933 -0.766 7.263 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 -3.937 3.922 1.368 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 3.110 -3.825 -2.632 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 2.132 -1.881 -0.118 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 1.300 1.938 3.842 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 0.360 -2.336 2.952 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 1.744 -1.103 2.554 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 1.379 1.296 0.586 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 -0.517 -2.953 1.026 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 4.146 -0.668 -0.721 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 2.769 -3.253 0.001 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 -0.709 2.078 4.909 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 -1.657 1.841 6.506 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 1.250 4.319 2.903 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 -1.416 0.403 -0.806 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 -1.583 0.298 -3.312 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 1.084 4.748 1.778 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 -4.585 -0.741 -1.374 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 -2.690 -4.648 -0.803 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 4.023 2.330 0.834 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 0.253 3.854 2.244 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 -3.587 2.802 -0.313 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 0.543 -5.354 -1.876 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 -1.270 4.771 -3.674 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 -1.876 0.395 4.044 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 1.136 -2.992 3.318 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 -1.508 -4.521 3.314 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 1.624 -2.811 -2.603 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 -3.675 -0.429 4.616 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 0.168 3.181 0.812 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 10.091 -3.107 0.773 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 3.325 -0.279 -2.159 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 0.598 -2.213 -3.219 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 -1.837 3.446 -1.016 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 -1.786 4.906 3.081 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 3.421 0.807 -0.330 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 4.770 -2.303 0.558 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 -1.217 -3.778 -0.113 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 7.223 3.149 -0.162 1.00 0.00 ION NA END