REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 -27.178 -3.675 -51.688 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 -3.841 8.216 1.842 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 3.346 -12.085 2.992 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 8.620 -15.146 9.758 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 7.782 -13.145 -3.617 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 -10.266 -5.236 -4.374 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 -5.446 15.268 12.470 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 -3.892 -4.009 0.527 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 -3.932 3.488 -1.085 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 -9.513 9.777 2.231 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 -4.465 -4.037 2.914 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 5.968 5.127 -0.559 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 4.888 -6.472 2.695 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 2.930 3.548 6.395 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 -31.308 3.119 -10.881 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 2.685 4.277 2.887 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 -3.266 9.045 5.884 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 0.217 14.148 17.290 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 21.638 -7.591 12.366 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 -0.661 1.906 -1.655 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 8.642 -1.148 -3.350 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 -3.798 -5.076 2.477 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 0.591 5.049 0.094 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 -11.778 -6.825 -12.840 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 1.983 3.334 1.862 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 1.095 1.991 14.944 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 2.401 4.382 -6.556 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 -11.569 -12.083 20.884 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 1.047 -4.037 5.608 1.00 0.00 SBOX O ATOM 30 P ADE A 9 -0.221 -2.575 4.514 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 -2.044 2.935 4.399 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 -1.790 4.327 -1.006 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 -0.648 3.914 0.207 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 2.564 -2.895 1.733 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 6.185 -2.446 22.714 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 14.628 -34.889 -7.849 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 -0.512 4.710 0.163 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 8.388 -15.366 9.596 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 4.162 4.463 2.421 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 -5.073 -3.133 -4.843 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 6.207 -25.747 -18.874 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 -1.036 5.397 4.124 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 -1.310 -2.592 5.135 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 5.195 4.262 -16.538 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 -3.377 11.069 -5.259 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 -4.559 -4.361 3.476 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 1.771 0.714 7.573 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 5.582 -4.001 -0.249 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 16.095 -14.200 26.669 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 1.247 0.844 0.409 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 -1.120 0.428 -8.487 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 0.568 5.112 -6.480 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 -16.588 25.854 -6.873 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 -2.375 -5.142 -6.779 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 -3.945 3.532 -11.074 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 -1.633 3.126 1.871 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 10.908 -3.105 -8.544 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 1.348 1.206 -1.844 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 8.918 0.906 -4.421 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 -2.929 -3.968 1.318 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 8.415 -8.050 1.816 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 -0.898 -8.172 1.200 1.00 0.00 SBOX O ATOM 63 P ADE A 10 4.008 1.927 3.710 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 3.938 0.761 -0.406 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 -3.745 0.537 0.657 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 -7.643 1.732 0.725 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 0.504 12.514 -0.029 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 -21.083 19.907 -5.587 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 -36.494 15.343 -3.299 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 -3.705 -4.847 3.029 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 8.058 7.985 -24.418 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 -4.323 -0.754 2.623 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 -0.001 3.952 0.867 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 -9.653 -10.743 -5.368 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 2.383 -1.860 -2.508 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 6.657 -0.570 -6.641 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 -25.723 -5.654 -0.513 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 -3.959 4.345 -2.728 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 -6.543 2.415 5.711 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 -5.211 -6.648 0.331 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 -3.075 -5.193 -0.683 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 23.832 -3.694 -14.271 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 2.533 -0.873 -1.237 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 -6.046 0.702 0.536 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 3.235 -0.149 1.138 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 30.080 19.926 -5.153 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 -2.810 -2.180 2.030 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 -1.776 0.401 -4.771 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 -5.831 -6.370 2.019 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 -8.818 5.562 -15.398 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 4.889 -3.755 -5.162 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 -13.339 1.230 7.783 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 4.085 0.106 -1.055 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 -17.625 6.854 -17.663 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 -0.180 1.725 1.635 1.00 0.00 SBOX O ATOM 96 P GUA A 11 2.078 1.864 1.976 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 -7.088 7.143 -3.811 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 0.247 -1.847 2.668 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 0.178 0.133 -1.407 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 -1.074 -0.406 0.256 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 -5.625 5.723 -0.355 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 -24.864 14.980 21.175 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 0.750 0.028 -3.806 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 3.940 -3.767 18.785 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 -6.025 2.958 2.579 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 -0.759 6.436 -3.827 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 -6.359 1.844 -0.341 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 -2.382 0.545 1.799 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 3.553 -2.547 -9.578 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 5.546 21.947 -19.694 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 6.619 0.653 -4.048 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 -0.299 -2.089 0.988 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 -0.146 4.780 4.632 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 2.038 4.678 -6.373 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 -1.649 0.343 2.320 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 -1.793 1.364 1.533 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 -3.802 2.724 -5.364 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 4.716 -2.726 4.545 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 4.119 3.660 9.111 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 3.994 -0.462 -12.996 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 1.742 1.073 -0.157 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 -8.960 7.087 -3.476 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 4.119 -0.287 -7.130 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 -0.487 -11.876 1.204 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 3.853 4.095 2.698 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 6.433 -13.247 3.876 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 4.211 -4.496 -1.742 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 -0.925 0.657 -0.062 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 1.998 -0.267 0.706 1.00 0.00 SBOX O ATOM 130 P ADE A 12 -3.095 2.676 -4.150 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 -2.169 -6.079 4.021 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 0.521 0.077 0.074 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 0.564 -2.249 2.315 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 5.854 -1.099 -0.825 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 -2.494 -14.888 -4.957 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 6.661 -3.033 -2.387 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 -2.746 0.628 0.471 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 -4.210 3.921 -17.739 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 3.996 -3.809 -7.754 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 3.211 2.551 -5.119 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 13.916 -3.005 -5.996 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 2.124 4.952 8.085 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 3.856 -0.928 1.277 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 -9.940 -34.073 11.053 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 -1.555 -2.375 -2.278 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 -1.702 -4.122 -0.912 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 -2.878 -1.022 0.788 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 -0.799 1.782 3.239 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 -9.040 2.613 10.619 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 -11.754 -3.184 6.303 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 3.703 -0.276 3.342 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 -0.809 2.902 1.097 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 -34.876 21.905 7.228 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 -13.760 3.961 2.237 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 -1.373 3.430 8.699 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 4.767 0.641 1.931 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 6.669 -3.247 8.046 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 -5.020 -4.201 5.718 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 11.259 29.671 -25.676 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 -0.996 0.151 3.272 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 -3.666 12.905 32.613 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 2.268 8.661 3.349 1.00 0.00 SBOX O ATOM 163 P GUA A 13 -0.031 1.211 -4.630 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 -4.699 -0.974 0.029 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 -2.398 -0.857 -2.316 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 3.986 -1.637 -0.051 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 0.594 -3.625 2.644 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 13.659 -13.709 -0.466 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 -3.778 -11.001 -3.325 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 -10.746 2.941 -1.994 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 -20.370 -7.117 0.473 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 -2.061 5.392 8.084 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 4.471 -1.729 -4.562 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 33.272 -5.484 16.964 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 -6.202 -1.009 3.718 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 -5.561 -2.334 -1.874 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 -15.506 -0.007 5.691 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 -3.700 -5.094 1.127 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 -0.262 2.071 -7.421 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 -0.736 -1.090 -10.617 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 3.714 -1.506 2.568 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 1.689 -4.218 2.609 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 -6.339 -1.769 21.349 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 1.705 8.491 5.519 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 -2.699 0.265 1.966 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 2.201 -5.868 -4.514 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 -3.545 11.787 9.846 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 3.185 5.959 -0.058 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 5.701 -10.510 -6.603 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 -9.716 -1.340 -3.134 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 -9.775 -1.495 38.026 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 1.639 1.304 -1.169 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 11.894 19.409 27.282 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 -4.306 4.211 2.218 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 8.270 -7.235 0.163 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 2.321 -2.197 4.206 1.00 0.00 SBOX O ATOM 197 P ADE A 14 0.923 2.747 -0.161 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 -3.748 1.890 3.226 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 -0.236 0.182 3.377 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 -0.626 -2.610 -0.169 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 10.016 -4.500 -0.203 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 15.459 -9.807 13.734 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 6.940 -0.412 0.911 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 -0.235 1.637 4.491 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 0.573 -2.934 -0.818 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 -3.030 -4.180 -3.189 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 1.591 6.784 0.339 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 0.056 4.394 -1.763 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 0.439 0.628 -1.642 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 0.160 1.076 -11.638 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 -1.836 -12.551 -20.885 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 -5.312 -6.078 -6.718 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 -0.049 5.450 -0.139 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 -0.153 7.945 -1.338 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 2.645 -1.605 7.540 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 9.749 3.229 -8.081 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 -30.073 -18.377 -9.433 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 -6.876 -2.889 -0.120 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 0.817 -0.572 -5.107 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 13.384 2.737 -9.892 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 -4.510 -6.782 6.599 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 0.958 -1.123 2.968 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 0.490 1.242 -1.663 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 3.092 -0.153 0.092 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 2.112 4.235 0.713 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 -6.080 9.229 -9.744 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 0.157 0.328 -3.080 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 -4.840 -17.337 31.676 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 -1.973 -3.419 4.532 1.00 0.00 SBOX O ATOM 230 P GUA A 15 -0.906 -1.483 4.192 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 1.658 -1.342 3.193 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 0.519 3.856 -0.094 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 -3.179 -0.141 -2.353 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 -3.174 0.417 1.101 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 -12.372 -11.643 -3.399 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 8.804 7.572 -10.496 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 -6.458 4.586 -3.855 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 2.503 12.744 -6.674 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 -1.270 -0.619 8.841 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 -1.329 1.857 -2.215 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 -17.759 -0.355 -9.451 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 -1.375 5.726 -4.048 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 -6.064 2.692 6.032 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 3.463 3.147 -6.784 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 1.087 -0.504 -0.696 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 -3.610 0.958 -2.664 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 -2.509 -0.165 -3.577 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 0.950 6.298 5.891 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 0.350 1.573 -7.347 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 -25.536 -8.195 16.036 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 -9.632 0.936 7.580 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 5.602 0.565 0.920 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 -6.552 -6.065 14.657 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 7.074 3.687 15.346 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 -2.796 3.636 -4.716 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 -1.320 0.694 -0.622 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 0.892 -5.386 1.119 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 -13.409 -20.733 22.946 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 1.233 -3.457 4.089 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 8.759 -4.302 -29.355 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 4.201 -7.314 -0.291 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 -26.159 -5.105 -2.606 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 -3.536 -7.714 -10.432 1.00 0.00 SBOX O ATOM 264 P GUA A 16 -1.154 1.907 -3.082 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 4.261 2.991 -4.040 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 4.595 -5.558 -5.649 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 -2.240 0.597 -6.275 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 -0.852 -1.008 3.400 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 24.554 -6.000 4.736 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 -12.688 -4.744 -8.312 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 5.623 -7.189 4.263 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 8.532 -6.143 3.052 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 -1.053 -4.597 -0.619 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 1.795 -0.774 -1.532 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 19.846 -2.671 2.767 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 -4.131 5.479 -4.333 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 5.593 -14.855 1.668 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 3.293 -7.362 7.330 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 -3.424 8.053 -3.532 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 -6.560 2.067 -2.236 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 -5.848 -1.177 3.282 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 -5.641 4.297 -2.379 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 -5.254 -6.793 2.119 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 19.459 16.564 5.964 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 -0.929 -8.563 -4.504 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 -1.867 5.083 -3.345 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 -2.863 14.802 17.783 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 14.016 -0.097 -15.987 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 3.456 0.910 -1.721 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 -6.033 -1.073 -1.555 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 5.592 3.857 -5.416 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 35.540 7.343 -7.060 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 4.903 -1.342 5.164 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 20.067 27.705 9.046 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 -7.821 -4.418 -1.303 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 11.048 19.263 -7.418 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 -7.890 0.719 -0.546 1.00 0.00 SBOX O ATOM 298 P URA A 17 -1.890 -2.326 -2.410 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 -4.515 -3.459 0.867 1.00 0.00 SBOX ATOM 300 O2P URA A 17 3.673 2.130 2.793 1.00 0.00 SBOX ATOM 301 O5' URA A 17 3.472 4.266 1.371 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 -0.536 8.467 -4.999 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 24.025 9.467 18.243 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 -10.912 1.479 -18.648 1.00 0.00 SBOX ATOM 305 C4' URA A 17 0.050 3.482 4.734 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 1.441 -1.611 17.218 1.00 0.00 SBOX ATOM 307 O4' URA A 17 -6.753 0.176 -3.592 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 7.006 2.982 -0.599 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 -21.956 23.223 4.885 1.00 0.00 SBOX ATOM 310 N1 URA A 17 -0.991 -2.712 1.948 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 -2.838 4.847 -7.969 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 -12.934 -7.095 -22.683 1.00 0.00 SBOX ATOM 313 C5 URA A 17 6.213 1.395 1.451 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 -1.878 -11.586 12.115 1.00 0.00 SBOX ATOM 315 C4 URA A 17 -3.669 -1.468 -3.456 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 4.401 0.406 2.523 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 2.034 0.385 10.752 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 7.321 -12.397 -10.044 1.00 0.00 SBOX ATOM 319 C2 URA A 17 -10.486 2.368 12.890 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 2.314 2.959 -2.276 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 2.172 -0.075 1.563 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 -16.454 1.037 15.269 1.00 0.00 SBOX ATOM 323 C2' URA A 17 -5.561 0.026 8.429 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 13.345 4.033 12.220 1.00 0.00 SBOX ATOM 325 O2' URA A 17 -9.843 2.325 1.891 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 -2.091 4.979 -3.430 1.00 0.00 SBOX ATOM 327 O3' URA A 17 0.141 -3.051 -3.251 1.00 0.00 SBOX O ATOM 328 P GUA A 18 1.184 4.420 4.649 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 -3.559 4.825 0.193 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 -6.404 -0.886 -4.465 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 5.972 1.512 -0.984 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 -0.984 -2.757 -4.165 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 9.275 -0.245 -5.176 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 -0.852 3.814 -1.964 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 -3.358 -1.498 6.274 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 -20.827 -14.645 15.576 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 -6.051 -2.270 -1.206 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 6.280 4.895 -3.043 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 -10.761 -8.667 -17.376 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 -1.408 -8.074 -4.740 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 0.277 2.045 1.516 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 -2.531 2.573 4.014 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 0.851 -1.825 0.337 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 0.221 -7.350 0.715 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 -4.487 4.537 -6.224 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 2.096 -6.922 -0.340 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 -1.425 -2.319 0.106 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 17.562 -17.092 -27.965 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 4.744 -1.848 2.146 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 -7.938 -1.346 -6.195 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 -18.299 11.470 6.847 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 -11.609 -11.791 -14.408 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 -0.353 -0.078 1.326 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 -0.568 -3.636 -7.889 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 -7.540 6.504 -0.402 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 -8.710 14.044 2.841 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 -2.254 -2.928 -3.065 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 -4.802 14.317 -11.374 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 2.627 0.212 0.764 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 5.310 -6.801 12.442 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 -4.309 1.986 4.239 1.00 0.00 SBOX O ATOM 362 P GUA A 19 -0.588 3.467 -1.003 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 0.069 -0.003 -6.663 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 -3.792 -0.976 2.785 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 2.378 6.303 -5.866 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 1.896 3.245 12.410 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 -7.361 -9.946 1.464 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 -11.005 21.462 35.681 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 7.725 -1.886 -0.981 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 -4.914 -20.525 -3.352 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 -0.854 1.465 -0.762 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 3.723 1.978 -6.443 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 22.861 -2.472 3.370 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 -1.360 0.096 -5.738 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 -3.738 -2.756 3.055 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 -1.507 6.349 -26.595 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 -4.285 0.037 -4.241 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 5.257 -0.627 4.673 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 -0.300 -6.273 4.993 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 -1.019 -2.276 2.760 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 -0.421 4.338 -4.459 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 -0.711 -9.432 -5.532 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 -3.147 -1.809 -10.043 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 1.874 -0.540 2.624 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 7.969 -20.866 -16.339 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 24.367 -5.622 -14.432 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 -4.033 -3.129 4.872 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 1.191 -7.919 -1.970 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 4.296 -3.128 -5.117 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 -0.232 9.839 2.262 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 1.114 -4.394 3.794 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 -18.067 16.310 2.997 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 5.629 -7.900 0.524 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 9.008 2.599 -6.971 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 4.324 -1.883 -0.183 1.00 0.00 SBOX O ATOM 396 P ADE A 20 1.106 -0.216 2.748 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 -5.058 3.043 3.939 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 -6.152 -6.210 4.400 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 0.631 -7.201 -8.474 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 -0.335 5.639 3.503 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 -5.235 1.815 5.668 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 -5.667 -19.983 -24.858 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 0.326 1.948 -0.620 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 10.100 3.065 -4.535 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 1.590 2.213 -4.864 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 -1.902 -3.009 -4.085 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 -8.522 13.415 9.461 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 -6.441 -0.096 6.154 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 -0.238 2.880 4.905 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 1.325 3.781 17.890 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 -7.074 0.207 6.019 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 -7.674 -4.800 0.244 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 -5.213 -2.059 -8.772 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 6.505 -0.203 5.819 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 -3.700 23.640 7.941 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 -18.575 -4.662 -12.046 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 4.236 -6.922 -0.121 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 -3.980 -4.690 6.756 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 0.192 -7.735 1.930 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 -10.132 -7.233 -0.241 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 4.554 4.753 3.712 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 -1.755 -0.519 -7.113 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 -14.978 -7.565 -18.383 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 -0.616 3.404 -3.571 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 -2.525 -4.268 -6.335 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 2.760 4.352 -5.773 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 18.859 22.841 0.081 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 3.548 -4.297 -0.175 1.00 0.00 SBOX O ATOM 429 P GUA A 21 -0.090 5.160 -0.160 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 -3.369 -0.531 -0.458 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 -1.475 -5.987 4.142 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 -1.021 -2.307 -1.324 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 -5.003 -2.873 4.753 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 -12.137 -8.458 11.873 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 -25.173 -7.489 18.471 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 -1.597 -1.060 6.243 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 -19.433 -2.000 12.900 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 1.710 -6.806 1.108 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 6.033 -2.081 0.447 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 -1.671 -14.302 -10.652 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 0.760 -1.428 -2.835 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 0.613 1.486 -10.476 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 0.212 22.433 10.893 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 -0.555 3.711 -5.536 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 1.537 -0.137 9.292 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 -4.276 2.534 -7.852 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 1.711 2.150 -3.485 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 -3.848 9.036 -5.860 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 8.457 -9.004 17.772 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 -4.205 -4.528 4.480 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 0.811 -5.795 -4.238 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 -21.172 -7.272 33.172 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 -3.191 -18.841 10.812 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 5.842 -0.112 -6.251 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 2.277 -7.388 -3.242 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 4.100 2.674 -5.903 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 5.809 8.925 -13.581 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 2.822 1.103 -1.337 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 1.935 6.725 9.809 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 -5.981 -3.533 -4.326 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 -8.822 -11.205 -8.687 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 2.651 -4.695 1.846 1.00 0.00 SBOX O ATOM 463 P GUA A 22 -5.085 -0.660 4.149 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 -0.976 2.379 1.259 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 -5.301 -3.544 4.556 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 -0.697 -1.343 -6.149 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 -2.132 8.663 0.482 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 3.077 6.670 -9.613 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 -7.123 -10.143 0.368 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 5.983 2.672 2.368 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 -18.447 -0.819 -16.960 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 -2.498 -0.612 2.341 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 2.119 6.547 3.106 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 -6.765 -15.639 -4.742 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 0.474 -1.205 -5.821 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 -1.041 5.236 5.842 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 0.147 11.555 -11.100 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 -2.097 10.792 4.509 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 -3.159 2.162 -7.574 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 4.162 -0.423 3.320 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 1.312 3.218 -3.345 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 -3.871 3.410 1.904 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 -35.180 21.438 17.775 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 -7.419 5.610 -1.974 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 4.028 1.533 4.383 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 0.758 8.447 -2.550 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 -4.714 2.985 -5.861 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 -1.093 5.190 1.716 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 2.448 -2.396 -3.745 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 -1.258 1.999 3.762 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 -3.281 2.463 1.143 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 -3.244 -1.486 -0.186 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 0.859 0.061 -15.009 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 -3.260 -4.263 1.906 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 -1.070 -12.790 -25.713 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 -2.825 -7.082 1.795 1.00 0.00 SBOX O ATOM 497 P GUA A 23 -2.259 0.544 -3.810 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 6.765 0.604 0.454 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 -0.914 1.810 5.241 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 -5.871 -3.094 -1.356 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 0.038 -1.213 10.489 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 0.925 -0.929 12.904 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 -7.825 -24.164 3.427 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 6.579 1.839 0.467 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 9.072 0.024 5.936 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 -2.780 -1.565 -1.196 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 -8.148 3.026 1.264 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 5.466 1.162 -18.020 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 -2.511 0.788 1.283 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 3.495 6.106 -3.498 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 1.564 4.219 1.994 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 3.984 2.302 -0.948 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 -3.710 8.575 -5.071 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 4.149 -1.081 -5.809 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 -4.642 1.769 -6.056 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 2.331 2.498 -7.829 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 22.254 -6.909 -4.049 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 -1.878 -3.031 7.458 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 7.084 3.177 2.808 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 3.585 -5.097 10.711 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 -2.374 -11.455 2.958 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 -6.008 -1.834 -3.147 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 -4.627 2.203 -1.936 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 -4.671 -5.635 6.698 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 -17.436 -24.687 5.777 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 3.698 -2.782 3.128 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 -0.481 -6.073 15.598 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 -0.798 -3.596 0.849 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 10.768 -19.430 -3.717 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 -5.201 -6.935 2.963 1.00 0.00 SBOX O ATOM 531 P ADE A 24 -0.013 2.997 -1.800 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 -2.920 -8.004 1.896 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 6.877 -0.792 4.849 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 -5.558 3.021 -0.026 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 3.856 -2.593 -9.675 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 11.174 5.653 -17.597 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 8.185 -9.077 -10.603 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 8.769 2.721 -2.080 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 16.014 -1.512 8.388 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 2.688 2.182 -2.102 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 8.484 -1.317 -5.546 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 3.484 -14.280 0.670 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 3.514 -4.842 2.236 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 2.311 -8.841 -2.966 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 6.208 -1.036 9.997 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 -1.797 -5.366 -3.783 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 -1.942 -3.419 1.611 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 0.300 3.459 9.010 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 -5.374 3.063 -2.616 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 31.593 -3.213 -31.434 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 -9.969 8.983 11.427 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 -1.892 -0.416 -5.703 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 -1.920 -0.191 -6.141 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 1.892 1.100 -17.072 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 -12.093 5.349 0.865 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 1.727 -5.064 -2.807 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 0.851 -0.232 9.403 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 -6.591 18.242 -7.820 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 11.240 3.871 -2.437 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 -9.504 -3.926 45.446 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 -2.450 -2.038 -5.432 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 -6.343 -8.194 -14.050 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 -4.323 -3.782 -0.971 1.00 0.00 SBOX O ATOM 564 P CYT A 25 -0.501 -1.421 -2.949 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 1.280 -0.032 -0.354 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 4.335 -1.019 1.252 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 -0.670 -1.327 7.005 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 0.291 -7.234 -3.108 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 -0.737 4.237 -14.632 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 -4.602 -4.447 -8.373 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 -2.466 2.948 9.242 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 -2.477 3.573 9.531 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 7.325 -6.282 -6.563 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 -1.826 -3.826 2.279 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 20.919 -31.335 -11.743 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 -2.015 -1.186 5.118 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 3.320 -6.476 -3.052 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 4.133 -4.579 0.619 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 0.399 3.559 -2.698 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 -22.394 -6.953 6.362 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 -1.706 3.810 -6.920 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 -0.774 -0.705 -3.450 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 -11.436 3.955 -8.510 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 5.392 23.703 11.597 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 1.995 -0.731 -3.500 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 0.101 -4.685 4.210 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 0.099 -1.758 -2.788 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 -1.881 1.213 -3.417 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 -10.524 6.550 5.560 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 -1.675 -3.111 -6.306 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 1.991 6.269 -19.545 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 -6.619 -5.224 8.786 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 0.792 -8.933 6.850 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 2.846 -1.286 1.856 1.00 0.00 SBOX O ATOM 595 P URA A 26 -2.799 2.005 4.354 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 8.428 4.942 1.438 1.00 0.00 SBOX ATOM 597 O2P URA A 26 -0.939 -4.930 4.491 1.00 0.00 SBOX ATOM 598 O5' URA A 26 -3.396 2.192 -0.805 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 9.682 -3.504 -1.432 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 -7.343 -12.631 -2.901 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 10.233 -16.168 1.503 1.00 0.00 SBOX ATOM 602 C4' URA A 26 -2.384 -2.437 8.631 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 -26.783 -16.848 15.878 1.00 0.00 SBOX ATOM 604 O4' URA A 26 -5.294 0.630 -0.781 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 -15.783 4.596 -1.793 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 10.444 -0.168 8.028 1.00 0.00 SBOX ATOM 607 N1 URA A 26 0.074 -2.030 -3.101 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 -8.836 0.425 -0.124 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 -4.317 -7.796 -14.452 1.00 0.00 SBOX ATOM 610 C5 URA A 26 -7.113 -7.688 0.471 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 3.177 -1.502 -36.768 1.00 0.00 SBOX ATOM 612 C4 URA A 26 1.136 2.194 -10.243 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 5.057 0.704 6.011 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 -8.964 0.713 -0.262 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 -7.743 -4.725 32.132 1.00 0.00 SBOX ATOM 616 C2 URA A 26 -8.431 4.190 -1.531 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 3.209 5.549 2.540 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 -5.604 -1.407 -4.649 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 15.173 6.151 -2.050 1.00 0.00 SBOX ATOM 620 C2' URA A 26 -6.956 8.240 4.934 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 1.141 -14.916 -6.786 1.00 0.00 SBOX ATOM 622 O2' URA A 26 -6.082 1.305 -3.551 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 -4.349 -1.777 1.454 1.00 0.00 SBOX ATOM 624 O3' URA A 26 -9.129 0.106 -9.091 1.00 0.00 SBOX O ATOM 625 P GUA A 27 -0.125 -3.113 2.378 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 -1.862 -1.447 1.605 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 -4.222 -0.763 7.349 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 2.131 1.809 3.418 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 -4.551 -4.870 -3.424 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 11.228 -11.459 -12.123 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 14.327 -6.773 8.819 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 -7.844 2.394 0.320 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 16.877 -0.371 2.932 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 -0.913 4.814 6.316 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 -7.300 -6.054 4.621 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 -18.251 -17.369 -23.748 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 -1.031 -2.909 3.296 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 0.034 7.468 -8.656 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 2.491 -18.197 18.253 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 4.463 4.289 4.620 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 4.156 3.074 0.961 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 0.171 -8.698 5.970 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 1.369 -1.842 -0.809 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 -4.479 0.356 -3.045 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 -8.903 0.383 -12.889 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 -0.072 0.411 1.982 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 1.424 4.896 0.176 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 8.099 1.640 21.994 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 7.335 2.055 6.595 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 -5.106 2.327 0.289 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 -0.195 3.148 2.124 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 -3.409 2.843 8.387 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 12.854 -0.903 15.429 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 -3.989 4.209 6.371 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 -3.119 8.313 10.845 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 3.243 2.246 -2.707 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 7.392 -4.390 10.296 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 3.624 4.716 3.858 1.00 0.00 SBOX O ATOM 659 P GUA A 28 1.730 4.609 -1.771 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 1.709 -5.178 1.393 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 6.210 -1.816 7.002 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 0.731 -2.365 -1.355 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 5.128 -3.638 -3.764 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 -10.044 9.292 -5.037 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 -1.087 2.947 -18.915 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 5.338 -2.199 -0.328 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 -0.943 7.062 -49.925 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 -0.739 3.056 3.986 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 1.101 -5.922 9.430 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 9.472 -0.059 17.932 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 5.895 4.053 3.172 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 -9.022 -5.382 3.206 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 -14.705 -21.965 19.278 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 -1.573 -5.359 3.262 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 -0.757 -9.734 -3.948 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 6.314 3.433 -1.778 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 4.165 3.301 0.247 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 -7.713 -0.732 -0.948 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 -2.518 5.088 -4.774 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 5.134 -10.958 5.527 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 -2.001 -2.089 1.075 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 8.208 11.201 -9.926 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 2.339 -8.950 6.205 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 -2.185 -4.546 1.091 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 2.883 -4.872 -2.074 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 -2.316 -2.759 -3.305 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 -3.549 0.454 15.399 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 -6.028 -0.363 -2.255 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 9.735 9.087 -16.641 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 -5.907 7.158 -3.479 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 -4.122 19.694 -7.606 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 -2.834 -1.501 4.064 1.00 0.00 SBOX O ATOM 693 P CYT A 29 -1.537 0.384 -0.300 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 -6.227 1.258 0.957 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 -0.980 -0.076 -3.819 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 -3.341 -5.757 2.626 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 -2.534 3.959 -0.856 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 -3.537 -4.069 -13.376 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 -18.291 7.173 5.475 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 -0.603 4.121 -1.077 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 -4.269 8.367 -10.263 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 4.578 -1.691 4.568 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 -3.909 4.059 -2.762 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 17.293 -29.907 19.510 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 6.980 -0.215 4.327 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 0.327 4.979 -4.099 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 22.220 2.288 -7.598 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 3.570 2.788 -6.145 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 -8.575 -4.424 -20.458 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 2.283 9.374 -6.186 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 0.128 5.845 0.481 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 -0.950 -2.591 7.027 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 -1.675 -7.232 9.547 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 -5.095 5.715 0.596 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 3.387 4.663 11.094 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 2.314 0.136 3.503 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 3.304 0.104 -4.025 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 3.802 2.791 -1.896 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 2.394 -5.934 2.478 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 -6.485 -1.433 8.652 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 -1.068 -6.098 -3.686 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 -24.721 -7.827 11.528 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 -3.415 -2.171 2.464 1.00 0.00 SBOX O ATOM 724 P CYT A 30 -1.935 3.216 -3.163 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 0.611 2.793 2.936 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 7.053 -2.924 5.162 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 6.211 -3.524 0.499 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 3.404 5.278 0.736 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 -4.839 -20.799 0.137 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 11.715 16.647 48.295 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 -4.993 7.577 -1.408 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 -3.981 -4.734 -18.544 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 0.626 3.805 1.762 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 1.136 4.870 -8.117 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 12.472 -19.666 -7.832 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 -2.661 -3.235 4.031 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 -4.633 -2.138 4.625 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 -11.588 13.131 -11.474 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 -2.585 -1.495 0.403 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 -2.618 9.243 -11.312 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 1.723 4.636 -4.594 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 1.367 3.215 4.414 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 1.975 14.466 -6.701 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 -2.525 -1.054 7.965 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 1.477 -4.754 -4.359 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 -5.748 -0.220 5.088 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 0.745 1.692 2.706 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 3.550 4.617 1.762 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 -0.375 6.595 -4.931 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 2.459 2.151 -3.985 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 2.552 2.356 -11.205 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 -2.472 0.186 1.198 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 8.092 -15.757 10.678 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 2.289 -2.210 2.844 1.00 0.00 SBOX O ATOM 755 P CYT A 31 2.294 3.258 -4.008 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 4.764 6.741 -1.725 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 2.035 -2.402 -0.712 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 -1.288 -4.001 -3.955 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 -10.516 -0.997 1.419 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 4.854 -0.367 13.248 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 -15.619 -14.139 -1.734 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 8.170 1.637 2.705 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 4.964 -2.612 3.446 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 -1.775 -1.200 1.254 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 -3.298 -1.872 -0.508 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 -34.932 9.257 3.217 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 0.885 -0.268 -1.351 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 -4.855 15.035 -1.307 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 -2.608 16.636 -7.548 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 -0.217 -3.780 2.810 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 -6.047 -14.335 16.125 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 -2.543 0.867 -2.384 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 5.093 -5.441 -3.209 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 6.208 -4.648 -7.143 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 1.411 -4.681 -3.384 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 -7.411 1.167 5.475 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 -1.960 -4.983 3.960 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 0.044 2.074 -2.006 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 -1.183 1.377 -7.670 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 -13.309 -8.996 -14.437 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 1.468 1.760 3.987 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 -9.916 -9.546 -27.670 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 3.516 -3.322 6.585 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 -1.485 3.331 8.297 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 -3.055 3.276 5.403 1.00 0.00 SBOX O ATOM 786 P GUA A 32 -1.172 -1.484 -5.934 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 -1.359 3.223 -2.870 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 1.218 3.151 -0.043 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 -6.375 -2.440 -0.404 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 -0.140 1.221 -1.277 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 -2.213 23.042 -0.878 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 12.929 9.374 1.403 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 3.730 -0.493 2.709 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 2.444 3.492 -3.785 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 -0.510 9.112 3.378 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 -2.025 -4.308 -3.562 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 3.973 -3.517 -7.731 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 -1.695 -5.789 -3.454 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 6.480 1.174 -0.886 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 5.406 17.337 -9.457 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 3.167 -13.031 0.280 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 -3.421 0.641 -5.537 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 4.243 4.376 1.056 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 -7.927 7.364 3.359 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 -0.132 4.018 -1.854 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 6.233 -7.870 4.878 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 -2.918 -2.454 4.473 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 0.152 0.005 -3.035 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 -0.705 -23.573 8.475 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 13.246 -5.878 1.072 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 5.131 -1.004 -2.592 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 -1.644 8.098 5.731 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 3.995 1.088 -7.637 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 30.137 6.129 -18.579 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 -3.715 -1.906 -2.262 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 8.424 -11.441 12.069 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 -5.775 1.234 -5.029 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 8.458 -26.991 -19.037 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 -4.566 -0.727 6.722 1.00 0.00 SBOX O ATOM 820 P ADE A 33 0.094 2.515 2.497 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 0.450 -0.459 -0.511 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 -2.248 -3.481 -1.118 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 0.057 -2.093 -0.060 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 -3.139 3.828 -4.263 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 -6.971 -4.134 -21.760 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 -5.572 1.592 -3.526 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 3.765 -5.885 -16.114 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 15.641 11.765 -2.455 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 7.109 -4.611 8.812 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 -1.939 10.155 6.300 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 -1.377 3.070 -9.938 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 1.270 6.030 0.264 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 -0.487 5.142 5.870 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 -16.645 1.945 0.580 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 7.144 8.039 -0.418 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 0.080 4.370 -7.251 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 -6.444 5.444 1.740 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 5.103 -4.337 -6.452 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 25.303 2.148 -9.387 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 2.330 6.120 18.295 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 -0.405 10.872 1.898 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 0.061 8.832 -7.366 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 -36.377 17.746 -38.907 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 -7.032 5.774 5.375 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 4.745 -1.876 1.695 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 5.901 2.301 1.586 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 -24.425 5.615 -4.939 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 8.636 -7.470 -5.362 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 6.447 -9.215 -4.159 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 1.029 -0.155 -4.018 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 7.117 4.562 -2.650 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 -3.168 -1.580 -9.500 1.00 0.00 SBOX O ATOM 853 P URA A 34 1.472 4.229 1.575 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 -8.721 -4.025 -1.047 1.00 0.00 SBOX ATOM 855 O2P URA A 34 -7.754 2.417 -1.655 1.00 0.00 SBOX ATOM 856 O5' URA A 34 0.275 -3.628 -1.770 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 7.369 -10.451 2.146 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 -0.387 -8.940 2.783 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 -4.335 -10.870 6.855 1.00 0.00 SBOX ATOM 860 C4' URA A 34 -10.100 5.297 3.345 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 7.876 -1.435 7.540 1.00 0.00 SBOX ATOM 862 O4' URA A 34 -3.291 4.072 2.973 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 -2.142 -5.451 0.948 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 11.998 6.231 3.192 1.00 0.00 SBOX ATOM 865 N1 URA A 34 0.532 4.139 -2.267 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 -2.640 -2.945 -1.327 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 0.395 -11.191 -2.292 1.00 0.00 SBOX ATOM 868 C5 URA A 34 1.835 3.428 1.172 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 -1.757 0.806 -4.682 1.00 0.00 SBOX ATOM 870 C4 URA A 34 -1.240 -1.197 0.660 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 -2.727 1.866 -2.815 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 -0.168 1.155 4.209 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 -3.267 8.353 12.079 1.00 0.00 SBOX ATOM 874 C2 URA A 34 -0.095 -4.573 6.170 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 -0.068 -2.587 -4.929 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 5.947 -4.269 0.505 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 23.883 -5.220 -5.337 1.00 0.00 SBOX ATOM 878 C2' URA A 34 3.041 -1.742 6.736 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 -18.979 21.981 3.605 1.00 0.00 SBOX ATOM 880 O2' URA A 34 0.185 -5.742 -3.463 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 -12.832 9.199 -7.919 1.00 0.00 SBOX ATOM 882 O3' URA A 34 -4.275 -9.451 -2.715 1.00 0.00 SBOX O ATOM 883 P GUA A 35 1.963 2.930 2.076 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 -1.888 6.515 -2.297 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 -2.956 -6.335 6.535 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 7.419 3.401 5.256 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 3.871 0.503 2.743 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 -5.972 22.105 -18.320 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 6.800 0.682 20.965 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 -3.922 2.391 -3.160 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 -2.813 -0.878 -7.574 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 6.898 -3.558 5.969 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 0.382 6.940 -5.164 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 11.563 9.858 8.529 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 1.206 6.170 7.161 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 5.517 1.825 -1.725 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 5.959 2.913 -6.277 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 1.612 1.166 -2.325 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 -0.638 3.833 1.412 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 -7.156 6.209 3.494 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 1.975 3.823 0.300 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 -3.542 -2.594 -0.579 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 2.886 -8.195 16.301 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 2.876 9.505 -2.712 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 -4.548 3.392 -3.082 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 -12.055 12.702 10.269 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 -39.135 2.036 -0.264 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 2.148 1.402 -6.794 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 -1.111 4.757 0.224 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 2.661 -0.430 1.868 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 20.239 1.976 -11.502 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 -1.987 -4.172 -1.079 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 -6.063 3.432 -5.390 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 -9.103 -1.908 8.971 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 -16.293 -17.708 3.486 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 2.869 2.809 -1.892 1.00 0.00 SBOX O ATOM 917 P ADE A 36 0.116 1.870 1.372 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 3.545 -5.033 -0.813 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 4.887 -0.579 -0.353 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 3.065 -6.443 3.292 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 1.028 0.549 -3.761 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 4.237 1.025 -3.799 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 2.319 11.715 -0.710 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 0.521 1.235 9.929 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 23.724 -13.931 23.891 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 2.494 1.820 2.215 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 7.357 -5.826 -5.226 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 -18.936 -9.085 -33.340 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 1.295 -7.160 -2.549 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 -3.708 -3.939 -2.427 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 -5.429 9.324 5.643 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 6.673 -4.072 -10.667 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 0.591 3.104 4.580 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 -0.833 -2.455 -2.207 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 1.290 -0.921 -5.374 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 0.131 1.220 -2.456 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 -1.267 -5.428 -7.748 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 3.835 -4.012 -2.093 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 -4.624 2.497 -4.398 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 -15.377 -7.964 -3.969 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 -2.755 -2.262 4.692 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 -3.679 -0.832 -6.415 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 6.395 -4.158 0.513 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 -4.315 -0.232 -3.082 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 1.572 -4.308 1.403 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 13.336 11.556 -18.855 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 -0.814 -3.810 5.264 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 0.863 -34.692 2.796 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 0.782 3.810 -5.527 1.00 0.00 SBOX O ATOM 950 P ADE A 37 -5.164 -8.128 1.208 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 -4.175 9.607 3.774 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 7.573 -3.008 0.016 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 5.241 -1.550 -0.306 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 -2.617 -5.233 -2.808 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 15.596 -5.946 -8.299 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 15.850 18.561 13.776 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 -2.169 0.019 3.689 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 12.942 14.892 24.872 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 -4.278 7.248 3.721 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 3.875 -7.221 0.803 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 7.356 -12.809 18.651 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 -5.599 0.427 -0.295 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 -3.260 -4.809 -1.900 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 9.129 -18.055 -5.642 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 -0.398 -10.158 5.093 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 -2.087 8.481 -4.652 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 1.546 0.291 4.033 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 1.706 2.093 1.012 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 -7.767 8.643 10.485 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 6.279 0.419 -19.782 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 8.095 -2.578 -4.984 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 -1.254 2.513 2.108 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 -2.087 8.209 1.734 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 0.267 4.027 -1.970 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 2.201 1.598 0.792 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 -0.117 -0.856 -7.223 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 -6.792 -6.339 -10.207 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 9.321 -1.736 -3.841 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 3.463 -1.041 -2.992 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 5.934 0.026 -0.456 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 -4.441 -0.814 -18.236 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 -0.703 7.533 3.419 1.00 0.00 SBOX O ATOM 983 P ADE A 38 2.353 -1.336 -1.737 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 -1.067 -0.430 -1.721 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 -4.514 -2.041 2.877 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 -3.574 0.740 0.213 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 0.587 -0.448 5.583 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 8.240 12.157 -3.358 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -1.713 -22.891 -1.100 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 -1.707 -6.104 3.060 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 -1.652 -12.996 2.777 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 4.711 -2.035 4.090 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 0.094 -0.094 1.526 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 -2.875 -7.134 -10.903 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 5.094 -10.930 -3.133 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 -0.069 -2.930 6.347 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 -13.163 -6.860 -8.762 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 9.269 1.493 3.390 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 -3.537 7.547 -3.816 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 -5.046 -4.153 -7.752 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 -1.141 -7.627 -1.229 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 6.062 -1.969 5.116 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 -2.700 -4.191 -20.725 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 0.216 0.908 0.926 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 1.205 -1.515 -4.874 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 -24.783 13.304 9.627 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 -2.847 -8.183 1.729 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 2.596 4.347 4.306 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 1.217 -7.744 3.517 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 -5.498 13.907 30.880 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 0.206 4.826 1.053 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 -17.406 -13.675 26.752 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 -5.455 -1.490 2.953 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 -1.258 -35.333 -4.645 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 -4.957 0.937 -0.935 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 -0.030 -3.120 3.813 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 -1.971 1.924 6.775 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 4.711 -4.728 -8.761 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 0.879 4.102 -1.594 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 2.579 -2.251 -3.084 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 -3.869 -7.655 -12.751 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 -10.080 -14.239 0.664 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 0.105 6.613 3.141 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 -1.550 14.390 -18.574 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 2.608 -7.836 -4.821 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 1.248 -2.566 -1.162 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 -3.233 12.180 17.418 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 2.255 -6.075 1.553 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 -0.239 1.950 -2.724 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 0.283 -10.566 -13.352 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 6.227 4.647 -4.341 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 -12.282 12.345 12.347 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 5.185 9.394 2.159 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 -7.322 -1.597 3.946 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 20.231 6.259 3.311 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 10.611 -14.579 -17.647 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 2.288 -9.554 3.485 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 -1.191 -5.068 -0.281 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 -5.033 -3.965 4.267 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 1.466 -4.419 -1.939 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 5.584 7.879 46.675 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 5.701 -3.938 -1.612 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 0.166 14.473 14.108 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 1.141 1.258 -0.021 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 -1.284 3.575 -4.680 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 -0.628 -1.810 -2.172 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 -0.717 6.995 1.725 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 -8.125 -1.025 -2.435 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 -2.186 11.133 1.739 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 7.640 0.259 -0.298 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 -3.119 -1.287 9.287 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 -11.050 18.846 1.308 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 16.643 -51.408 32.154 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 0.428 6.429 -0.587 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 19.039 1.567 8.316 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 2.850 -0.483 1.676 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 -5.264 4.286 6.347 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 21.452 8.145 13.751 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 4.704 -3.321 2.754 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 0.037 1.371 0.071 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 6.552 -37.230 -10.220 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 -1.946 -1.654 -2.515 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 3.868 5.803 14.187 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 -10.011 -0.082 2.098 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 -0.240 2.108 -4.074 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 -16.783 17.568 19.944 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 -18.054 -7.028 -19.901 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 1.814 -4.234 -1.451 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 4.604 8.674 -5.867 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 6.328 -4.186 -0.759 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 -5.318 3.873 -0.057 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 22.235 -0.824 11.208 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 1.670 1.668 -3.461 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 -0.413 7.630 -7.581 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 -6.114 2.271 -5.187 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 -4.235 8.356 -6.019 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 6.666 -1.855 -0.386 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 -2.070 1.205 3.922 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 -5.327 -4.529 1.131 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 -6.250 1.086 -0.921 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 0.147 3.966 -0.329 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 -2.474 -2.337 8.176 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 -33.826 44.792 6.734 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 -6.977 13.423 -5.367 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 -2.782 -6.193 -8.187 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 2.074 -12.322 -33.695 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 0.225 9.073 2.263 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 3.307 -5.035 4.285 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 22.972 -11.705 2.799 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 -2.487 -1.605 0.747 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 -3.576 -4.829 -0.181 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 -5.371 -4.556 1.209 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 1.019 8.241 -0.019 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 1.756 -6.295 -10.590 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 2.558 -9.179 -1.800 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 1.668 1.871 -5.728 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 -5.614 2.373 -1.354 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 5.762 4.742 -5.554 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 5.443 0.310 -1.692 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 -6.046 -15.571 -6.676 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 -5.279 -3.702 -1.121 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 -3.645 -0.566 5.211 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 9.822 -2.777 -1.837 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 -2.928 -1.745 4.707 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 3.267 -7.251 -18.760 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 5.585 3.130 0.582 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 -7.982 12.081 -11.944 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 2.968 4.371 7.298 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 -8.137 -2.254 6.111 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 3.957 -4.795 -3.148 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 0.957 0.066 2.010 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 8.461 -3.696 7.638 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 -0.273 -1.142 -5.949 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 -2.195 0.946 -4.586 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 2.845 10.913 -9.586 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 -0.314 6.141 3.632 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 -1.949 1.921 3.317 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 -0.703 4.933 -0.042 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 4.287 -3.280 -5.119 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 -8.776 9.888 -11.515 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 -3.694 -7.205 -0.038 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 3.437 5.944 2.354 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 6.835 5.451 6.850 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 2.600 1.701 -1.972 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 -0.131 -0.526 2.077 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 -4.218 -0.657 -11.501 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 -6.103 -1.753 -1.840 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 -0.137 -0.931 2.501 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 -36.933 -10.541 -27.864 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 3.625 -1.769 -2.553 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 1.116 1.920 -1.799 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 8.365 -12.536 -40.456 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 -12.767 -16.778 8.023 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 -1.286 -2.683 -1.132 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 6.335 7.793 -2.553 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 -2.646 0.368 -4.885 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 -0.168 3.611 -5.438 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 0.231 -2.440 -1.460 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 -12.168 -4.143 -7.128 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 -4.647 2.794 0.629 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 -7.715 9.759 -10.815 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 -1.030 -6.508 2.631 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 1.587 -1.647 4.694 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 1.568 1.765 -1.488 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 -4.951 -0.406 -10.494 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 -0.281 10.206 -1.424 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 -0.632 7.754 1.100 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 -3.567 -6.737 -6.137 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 5.547 -29.870 18.202 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 -9.922 -2.495 7.118 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 7.423 -10.800 -0.042 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 -3.806 1.186 -1.191 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 -3.655 -5.136 0.250 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 -1.582 -3.436 1.040 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 -0.074 -0.892 0.691 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 3.764 5.605 -0.083 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 -15.556 -2.479 -6.318 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 -2.226 -3.438 -0.221 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 -0.282 -6.106 -0.521 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 -6.748 0.034 4.667 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 -5.142 -6.406 2.333 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 2.060 1.729 -3.926 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 18.627 3.386 -25.113 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 1.818 0.448 1.117 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 2.063 -3.090 -1.363 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 20.502 26.671 -0.431 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 3.690 1.513 -9.343 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 -12.934 4.328 -0.010 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 0.423 -1.821 -1.209 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 -7.217 7.594 3.395 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 -1.617 -16.452 9.628 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 4.886 -5.149 3.956 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 26.068 -27.411 -11.594 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 5.907 2.086 9.161 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 -6.936 -2.520 7.690 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 -2.847 0.535 4.461 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 0.050 -5.352 1.645 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 -1.950 -0.277 3.732 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 -3.128 -2.669 5.193 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 -9.164 -2.765 2.600 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 -2.507 -0.417 0.532 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 1.283 13.242 3.945 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 -0.807 -3.074 13.552 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 -3.496 10.319 -3.959 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 -26.615 -6.862 23.745 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 -1.495 3.359 -1.950 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 3.091 3.337 5.194 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 13.509 21.034 -2.330 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 -1.761 1.912 -7.504 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 6.438 8.712 6.925 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 5.044 -15.980 -14.456 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 2.831 -6.956 -0.704 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 -10.054 -10.483 3.785 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 -0.371 -5.352 -10.710 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 -0.078 1.766 3.370 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 -8.515 3.710 23.979 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 8.601 2.791 5.104 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 3.246 1.074 -3.372 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 -0.673 -2.423 1.478 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 4.395 -0.866 -4.688 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 1.658 -1.509 3.102 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 3.395 -10.047 14.737 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 2.849 1.235 3.647 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 4.496 -12.239 -0.215 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 0.074 -0.718 -1.576 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 5.279 -7.549 -16.512 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 -2.043 -4.737 -2.719 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 -0.738 -3.252 4.498 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 2.848 -3.486 -1.700 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 -1.826 -2.184 -5.716 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 9.032 0.054 -4.446 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 7.621 0.225 -1.836 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 14.860 22.385 -1.788 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 18.509 -8.999 7.714 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 1.385 1.532 4.735 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 -11.821 -1.491 -3.955 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 -0.001 6.775 -1.531 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 -3.150 -1.881 5.995 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 -3.865 -4.163 -15.507 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 4.543 -3.527 4.092 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 -1.694 0.951 5.478 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 -12.089 19.923 21.753 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 1.347 1.066 4.808 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 4.103 2.208 -7.617 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 -0.014 -1.998 1.704 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 3.816 -1.268 5.227 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 -4.810 10.543 -30.045 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 -0.490 -22.825 0.390 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 -9.105 -3.731 1.884 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 -4.578 1.061 -6.023 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 -7.395 14.389 16.343 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 -6.627 7.601 -0.451 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 -2.628 -1.218 1.785 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 -2.201 0.671 -0.860 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 25.073 22.279 -2.214 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 8.012 5.527 -0.445 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 4.137 18.535 -9.247 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 -2.059 1.864 -5.557 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 -16.564 9.907 1.228 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 -7.846 1.578 -5.627 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 4.442 2.187 3.200 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 6.653 -3.774 -2.720 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 0.467 5.923 1.049 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 -0.921 -3.330 -0.508 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 0.477 3.641 3.029 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 -7.037 20.187 -11.735 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 -14.807 12.713 1.640 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 -2.456 -1.615 -7.118 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 -16.222 -8.016 11.834 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 -3.698 1.932 3.279 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 -8.047 3.435 -0.364 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 -6.288 0.758 -0.526 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 -1.250 -1.729 -0.946 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 -9.933 -4.999 2.639 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 -13.628 0.518 11.790 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 -5.476 -2.535 -5.437 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 1.417 -3.411 0.238 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 -2.858 -1.803 -4.229 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 6.542 4.219 1.047 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 12.265 3.095 -1.182 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 8.584 -24.360 23.838 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 -0.508 -3.022 7.068 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 -1.016 4.268 -3.131 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 -2.308 7.823 -4.080 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 -0.296 -3.006 -1.743 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 8.219 -6.163 3.125 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 0.025 4.697 1.383 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 -3.031 -10.729 -9.002 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 2.608 3.465 4.222 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 9.226 11.065 4.769 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 -6.624 0.201 3.656 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 7.924 -6.386 0.404 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 -2.416 -1.935 3.217 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 0.621 0.253 6.813 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 -4.337 1.418 5.985 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 -0.975 4.017 -0.668 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 1.108 -1.391 3.926 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 1.076 1.324 2.637 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 -3.749 6.949 -0.847 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 -15.143 -0.113 -6.344 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 -1.044 0.363 -10.674 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 -0.898 1.270 -9.613 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 -0.030 -1.064 -0.428 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 4.050 7.456 1.534 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 2.989 9.240 -4.851 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 -0.220 1.374 -1.212 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 -3.456 5.862 4.682 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 -16.751 15.172 22.857 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 4.904 -0.999 -2.603 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 -6.596 -0.640 10.911 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 1.529 9.789 -1.466 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 -1.517 1.427 2.050 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 18.262 -6.635 -18.661 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 -0.841 1.632 -0.156 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 -7.684 0.044 -3.113 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 4.482 0.910 0.832 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 1.531 -0.954 -3.636 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 8.339 10.446 -2.449 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 3.602 7.617 -3.682 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 7.208 -5.412 -0.297 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 -5.670 -3.170 8.240 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 -0.341 -5.417 -7.635 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 -2.750 2.364 -0.283 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 -1.487 7.436 -2.494 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 8.343 -0.540 -4.185 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 -0.139 -1.033 -3.623 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 4.942 1.998 2.892 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 -3.626 -1.002 -3.450 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 0.796 6.039 2.399 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 17.482 11.828 1.780 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 -20.821 -18.414 -11.814 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 -1.964 5.008 1.021 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 5.053 -23.075 -31.923 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 2.204 -2.838 -9.686 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 -1.380 -8.742 -0.508 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 -13.419 -33.764 -44.380 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 -1.764 3.457 0.643 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 -5.844 -2.919 3.937 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 -20.593 5.595 12.520 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 -4.042 2.959 -9.305 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 2.703 -7.811 -15.761 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 -8.074 3.862 0.936 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 3.026 -2.372 -9.419 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 -15.365 1.938 -15.273 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 -8.198 19.208 -4.167 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 1.319 -4.356 1.937 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 4.553 0.943 -1.493 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 -0.530 6.664 3.191 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 0.234 3.050 -2.856 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 -2.080 -11.337 -4.452 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 9.553 -6.180 4.648 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 6.077 -11.253 27.380 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 0.178 -2.979 3.215 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 -11.927 8.687 3.222 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 5.561 7.298 -2.070 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 4.442 -3.967 -2.535 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 3.451 1.844 -6.526 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 0.134 -1.246 -2.175 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 1.604 2.588 -8.292 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 0.672 -5.736 2.423 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 2.696 -3.809 2.875 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 12.005 4.567 2.946 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 -1.036 -0.616 4.703 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 8.432 0.689 -17.971 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 0.502 -3.851 3.933 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 -7.243 4.825 -5.441 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 6.337 8.438 15.923 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 -8.436 -6.797 -1.141 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 0.771 1.388 5.510 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 11.516 3.959 4.430 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 -5.730 -4.818 2.217 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 -0.271 6.052 -0.479 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 -3.952 -2.050 -0.633 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 -9.526 -2.899 8.256 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 -11.794 -8.590 -1.083 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 9.275 -11.206 10.660 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 -1.695 -3.823 -7.448 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 -5.388 2.672 -10.995 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 -7.365 9.798 30.741 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 0.015 -3.387 7.354 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 -6.287 -8.191 2.812 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 2.060 1.886 -1.814 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 14.537 -37.484 -1.984 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 6.250 3.672 -0.196 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 -9.266 -18.434 -6.743 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 3.651 -4.223 4.677 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 14.760 -8.008 -0.703 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 -6.725 2.688 -4.437 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 -3.278 -0.070 0.358 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 3.704 -0.905 -6.164 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 4.163 -7.492 -10.550 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 -4.683 2.480 5.171 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 -3.638 2.400 -1.787 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 -3.256 23.366 15.085 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 -10.730 24.795 -21.608 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 -3.457 -6.479 -3.424 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 23.179 -19.594 -4.840 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 -2.091 3.821 -0.251 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 2.411 2.498 -2.812 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 10.008 3.764 2.226 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 1.182 10.361 -3.969 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 5.691 3.307 -6.512 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 2.297 3.656 -3.774 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 1.618 -2.794 2.604 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 -0.259 -3.736 -11.159 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 -4.744 -1.969 -6.528 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 5.724 4.345 0.048 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 -4.298 1.485 3.350 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 -4.458 -22.393 1.347 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 -7.289 -7.827 -1.763 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 3.330 -3.189 0.956 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 -0.867 0.333 5.824 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 4.609 -3.354 -1.858 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 2.160 1.231 -10.133 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 -3.459 -5.909 -1.480 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 -2.394 4.424 -0.031 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 14.747 -5.872 11.236 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 4.479 -5.407 2.753 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 6.864 -13.089 -0.969 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 -3.206 -0.245 -0.380 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 -0.368 15.779 16.472 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 1.756 -0.983 -7.658 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 -4.817 1.209 0.020 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 1.045 3.282 -3.680 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 -3.383 2.752 -1.133 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 2.568 -4.167 -1.046 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 0.234 -0.858 5.780 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 14.310 7.578 7.604 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 1.874 1.404 2.113 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 -3.047 3.001 6.331 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 8.722 0.064 39.887 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 -0.969 4.579 5.577 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 2.679 -2.350 -1.435 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 1.903 0.566 -4.238 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 -4.566 11.213 0.013 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 2.326 -0.954 -7.872 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 -4.436 -3.049 -4.194 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 3.733 -2.052 8.228 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 -1.974 2.219 5.522 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 -0.213 -2.228 1.407 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 -4.571 -8.126 0.497 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 -0.589 -19.376 -14.947 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 -13.942 -30.130 -3.150 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 1.613 -4.881 -3.023 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 0.495 -3.473 -0.371 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 4.595 7.595 -1.213 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 3.473 -6.382 -8.387 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 -3.244 5.103 7.722 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 3.340 -5.151 -0.035 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 8.099 -6.218 8.254 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 -3.789 1.507 3.433 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 9.117 4.076 4.577 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 4.351 -3.820 0.514 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 -5.190 -4.018 1.164 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 2.107 3.866 -11.796 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 -2.621 -1.265 -1.652 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 -5.759 5.838 -4.131 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 -2.347 -0.987 4.091 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 -3.816 2.389 6.876 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 -4.446 2.930 -0.845 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 -7.154 -11.630 13.831 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 -4.411 -6.313 -2.094 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 -7.297 7.248 -0.874 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 -9.292 14.799 -0.687 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 -6.549 -1.010 2.107 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 -4.843 -3.240 1.771 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 -22.453 -2.367 -13.911 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 3.152 1.028 3.975 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 1.992 -1.528 9.429 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 2.270 -2.542 2.026 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 5.452 -1.253 -0.496 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 9.828 2.953 -3.717 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 5.250 4.133 -8.922 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 -1.807 5.636 6.786 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 0.127 4.576 9.490 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 -10.189 -3.301 -31.764 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 6.305 -0.560 3.712 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 2.256 2.835 2.231 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 19.660 6.363 -9.939 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 7.809 -0.177 -3.605 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 -3.199 7.260 -0.697 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 -2.881 6.521 -4.297 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 -7.569 -11.171 -16.488 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 1.489 7.813 -0.042 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 -4.696 1.297 -22.049 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 2.505 -3.247 -3.298 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 7.821 -11.899 0.483 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 -5.036 0.249 5.905 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 4.348 -2.908 2.693 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 8.511 -4.590 4.825 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 0.109 -1.442 -0.542 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 1.386 0.522 0.998 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 1.576 0.893 -1.568 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 10.641 3.049 6.920 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 -1.900 -4.428 -0.514 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 2.624 -4.954 3.355 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 11.757 1.506 -3.962 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 0.653 3.762 -1.848 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 -2.906 -4.015 -1.262 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 -27.365 -18.981 17.606 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 -2.791 -0.087 -2.628 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 -1.704 -4.303 3.043 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 2.455 -6.468 -0.817 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 0.343 -4.914 -2.979 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 6.057 -1.581 -6.503 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 0.503 2.415 -7.886 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 -2.057 -4.460 -5.367 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 11.246 15.417 -27.604 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 -9.017 0.414 -24.531 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 -0.341 -3.387 -4.696 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 -5.815 4.199 -3.274 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 -8.315 14.659 -48.863 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 0.416 9.231 5.356 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 2.428 -0.643 -8.558 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 7.858 3.699 -3.892 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 -28.826 -16.602 -20.304 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 1.604 -2.112 -3.725 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 7.175 -3.206 23.183 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 0.247 -5.541 -1.030 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 -9.653 -18.168 -7.440 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 10.374 -5.122 -0.315 1.00 0.00 SBOX O ATOM 1502 P URA A 54 -0.793 0.588 3.062 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 2.892 3.480 2.417 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 -2.695 7.757 -0.263 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 5.508 -0.508 -2.577 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 -1.367 11.055 -4.560 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 9.394 19.066 -15.013 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 -2.076 31.707 -1.279 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 -0.252 -0.947 5.226 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 15.314 -2.369 -8.373 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 -3.669 -3.678 5.350 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 -0.403 1.589 -0.933 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 -18.157 -15.293 4.095 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 -1.084 -10.146 -7.151 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 -6.769 -4.506 0.281 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 -14.251 -1.545 10.873 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 2.067 5.527 -3.089 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 -4.235 9.065 2.178 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 0.597 -2.342 1.674 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 1.924 -0.157 7.328 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 5.229 4.124 5.084 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 -26.596 -8.538 -0.156 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 8.231 -2.976 -8.861 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 1.393 2.123 -1.847 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 0.077 -1.633 11.149 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 -11.753 -5.407 23.451 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 2.644 0.988 -0.196 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 0.118 7.240 -14.582 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 -2.028 7.490 -2.986 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -8.692 0.366 12.342 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 2.143 1.561 1.281 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 3.827 -1.735 2.953 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 2.391 6.932 1.430 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 1.497 -0.611 1.961 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 -1.054 1.187 -0.673 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 -1.351 0.320 -0.558 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 28.136 9.820 0.472 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 20.754 8.350 20.498 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 4.451 6.888 -7.909 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 23.621 -4.239 -15.142 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 5.738 1.527 1.598 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 1.026 2.396 1.101 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 4.429 10.179 1.597 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 2.200 -4.138 1.905 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 1.685 1.229 -0.857 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 -11.842 -4.243 -4.568 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 -2.998 2.445 -2.630 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 -4.054 -3.741 1.493 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 -0.885 -2.943 8.382 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 -1.475 -1.849 2.148 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 5.302 -2.036 5.702 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 -4.782 -4.223 -10.579 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 3.612 -14.374 -5.083 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 -2.342 -0.134 9.346 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 -9.523 -7.051 24.275 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 13.809 -14.847 -7.657 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 8.004 -3.842 0.122 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 0.555 1.810 -7.022 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 5.526 -2.064 2.854 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 15.904 -21.372 7.855 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 3.279 5.162 1.171 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 31.092 12.564 -0.273 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 -3.941 7.153 -2.787 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 6.404 1.078 -12.847 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 -5.431 -0.216 -3.572 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 4.271 -2.548 4.988 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 -2.852 8.772 4.883 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 -6.688 -1.717 -5.189 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 -6.076 0.832 2.205 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 8.037 7.854 9.443 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 -5.982 -4.174 15.601 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 10.708 11.276 20.406 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 -11.591 -7.038 5.847 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 -9.393 34.449 7.816 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 5.547 -11.139 1.206 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 -8.499 -1.334 7.530 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 19.976 -3.122 7.033 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 0.192 -2.119 0.403 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 -3.352 -0.925 4.582 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 -12.051 1.602 -15.786 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 -0.580 -4.302 0.306 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 -0.978 2.702 6.079 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 2.790 3.052 5.254 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 -5.810 -5.977 -8.870 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 -3.273 1.583 -9.311 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 -23.953 16.125 -13.536 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 0.460 -6.824 5.203 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 8.021 -0.447 -6.364 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 -15.827 14.702 13.829 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 12.861 -13.910 -18.097 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 -1.629 -4.960 -7.012 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 7.370 -4.304 -4.319 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 2.589 -1.957 -9.172 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 6.052 20.662 -7.568 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 5.848 10.522 -7.425 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 7.696 -2.533 3.308 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 0.745 -1.834 -5.400 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 -4.134 3.907 9.304 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 0.195 -2.756 2.723 1.00 0.00 SBOX O ATOM 1600 P URA A 57 -0.391 0.505 0.186 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 -5.483 -3.585 -4.703 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 -1.121 -1.596 3.656 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 5.518 -4.506 0.135 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 4.845 -1.940 2.009 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 0.778 18.573 -19.042 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 -4.968 -3.103 7.749 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 -2.366 2.183 -0.025 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 -13.287 -8.245 6.415 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 3.833 -5.045 2.121 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 -1.080 10.351 -4.444 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 -15.370 22.822 -0.579 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 4.169 5.790 -5.147 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 -5.193 12.066 2.384 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 -6.640 11.352 -4.764 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 -0.937 -4.637 -0.751 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 25.398 -2.089 -21.441 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 -4.747 8.540 -6.379 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 1.025 -2.327 -2.806 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 5.063 -2.100 1.254 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 -5.187 0.721 -23.429 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 1.312 0.001 4.014 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 2.630 0.275 0.984 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 -0.712 3.531 0.906 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 9.767 15.973 0.187 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 -3.191 -3.016 -0.584 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 -8.026 11.543 -10.800 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 -3.420 -3.286 -7.889 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 11.783 -15.779 38.490 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 2.934 2.580 -0.496 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 -2.945 -0.605 0.152 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 -0.218 -0.434 7.455 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 -1.186 -0.676 3.401 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 -7.070 1.066 -0.155 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 -1.539 1.122 -3.853 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 21.056 -1.165 -3.380 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 -3.593 -16.113 21.297 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 2.908 -3.403 -3.492 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 -12.608 3.467 14.631 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 0.673 -4.135 -1.134 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 3.575 -2.108 0.321 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 1.132 17.705 10.485 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 5.138 0.396 -3.631 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 -0.335 -6.521 4.781 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 -0.012 -3.059 3.035 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 2.411 -8.873 4.396 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 2.859 -2.065 7.896 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 1.099 -11.535 -0.370 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 -6.891 2.242 0.494 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 1.850 -0.553 -0.670 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 2.672 -1.928 -4.115 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 -8.260 10.101 -3.553 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 -0.652 -0.781 -2.671 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 10.143 -4.246 -26.390 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 -3.480 7.580 38.370 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 1.926 7.068 2.566 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 4.076 1.298 -4.218 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 3.159 0.007 -7.015 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 -1.836 5.280 1.427 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 0.729 1.437 7.014 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 17.679 -7.469 -2.830 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 -2.337 -3.641 -0.334 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 -11.826 -21.873 -1.278 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 3.207 -0.632 -0.546 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 -6.208 0.026 1.149 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 4.423 -5.384 -1.854 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 5.439 2.859 3.594 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 -4.849 -4.093 4.553 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 1.763 4.234 0.786 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 19.366 -3.251 -5.107 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 3.790 8.006 -0.291 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 -3.543 8.570 4.709 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 4.148 3.132 -19.251 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 -1.880 -3.853 -0.252 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 -0.796 -0.847 -3.174 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 -3.875 -1.851 -9.430 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 5.187 6.200 -2.389 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 1.311 -7.162 -2.022 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 -4.074 -8.233 22.789 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 -4.360 -6.086 8.422 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 2.498 -23.167 4.843 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 -4.080 7.631 -1.132 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 -0.396 3.514 0.863 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 -11.002 -9.975 26.009 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 11.023 -20.772 22.113 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 -5.133 1.078 -4.266 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 1.823 1.279 -6.594 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 4.478 -2.927 1.898 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 -2.994 -6.963 4.376 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 -0.617 -8.789 29.966 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 -0.536 0.588 5.212 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 -2.903 -4.376 0.769 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 -1.455 -1.055 2.505 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 -0.477 1.549 -2.161 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 -1.215 2.300 0.989 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 1.023 -1.481 -3.014 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 -0.330 -0.860 1.981 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 0.368 -4.416 1.259 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 0.251 -0.619 0.014 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 -3.557 1.783 0.453 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 -3.260 0.964 0.254 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 -14.127 3.680 -2.465 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 8.073 5.086 -1.306 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 11.083 4.814 -11.926 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 -0.423 1.247 0.886 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 -9.695 3.801 5.067 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 -9.858 0.300 11.931 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 -1.001 -0.852 2.348 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 6.424 -3.676 -5.259 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 -9.945 -8.077 9.037 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 5.305 -0.728 -1.012 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 4.307 14.078 13.960 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 -4.629 1.313 -7.778 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 -2.788 -3.200 0.224 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 -18.595 -6.408 -37.572 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 2.589 -5.059 -9.965 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 2.949 8.856 -8.550 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 -4.171 0.587 -3.373 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 2.722 1.931 -0.204 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 4.355 -0.465 -3.835 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 7.459 -9.293 -31.064 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 8.692 11.056 -2.765 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 21.686 14.666 13.791 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 4.256 0.146 -3.221 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 3.571 23.604 -10.368 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 -4.437 2.415 3.912 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 1.650 5.173 -1.636 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 -2.401 -3.058 -2.245 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 0.158 -7.803 0.440 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 4.129 0.572 2.230 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 1.611 1.866 -6.335 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 -9.104 -15.600 -12.110 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 -1.363 -4.885 -7.034 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 3.683 -2.344 -5.563 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 -0.883 -9.120 -3.660 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 -0.963 -3.792 1.735 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 1.236 -4.139 -3.560 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 -9.890 -18.539 -0.084 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 2.330 0.344 -1.632 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 -5.125 6.812 -7.973 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 -13.288 15.756 -22.082 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 1.454 -1.944 -2.831 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 4.837 -3.067 0.376 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 0.144 -4.535 2.490 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 -3.512 -4.079 -6.862 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 7.926 21.053 -25.960 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 17.574 -34.899 -7.351 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 1.220 1.871 -1.256 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 -7.614 0.296 -3.604 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 -4.261 1.099 -6.352 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 1.194 -1.316 0.712 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 1.411 5.985 5.281 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 0.796 -2.374 -2.228 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 2.473 22.899 18.697 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 5.202 9.778 2.348 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 -8.352 4.593 16.653 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 -0.288 -4.065 1.739 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 0.568 -13.706 6.393 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 -5.751 2.071 -2.847 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 2.566 0.572 -3.269 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 4.297 2.539 3.965 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 -3.907 1.262 1.794 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 4.305 7.694 1.062 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 -10.538 -7.816 12.727 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 -1.154 -4.928 -3.193 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 20.892 -19.677 21.671 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 0.943 2.210 4.151 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 -7.642 -24.041 30.512 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 2.650 6.263 1.202 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 -2.726 -3.611 7.995 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 40.936 -5.153 9.325 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 -4.226 -1.198 6.042 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 4.217 6.084 -2.298 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 15.394 11.292 4.834 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 -0.831 10.906 0.809 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 5.125 8.039 3.316 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 1.297 -1.756 -1.638 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 3.596 1.765 1.979 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 1.935 -2.567 1.430 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 2.821 9.603 -6.644 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 4.071 -4.226 2.067 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 -1.798 -1.837 -0.261 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 2.500 6.269 -3.519 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 -1.608 1.474 1.548 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 1.548 -0.637 4.419 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 -7.984 -0.868 0.583 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 -0.764 -1.283 -6.649 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 3.323 0.994 -3.205 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 0.726 1.837 3.955 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 -4.066 -0.214 -6.870 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 3.934 -24.649 -16.308 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 9.272 3.271 -5.791 1.00 0.00 SBOX O ATOM 1792 P URA A 63 -2.454 -2.005 -5.573 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 -1.223 0.634 -1.779 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 -0.114 -2.614 2.924 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 1.093 -2.815 -0.524 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 -0.087 -4.506 1.023 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 -5.797 9.900 8.202 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 2.501 -2.812 -16.288 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 8.327 3.011 -1.716 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 -3.482 -9.558 1.826 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 -4.829 3.848 -6.130 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 0.746 1.276 6.810 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 7.795 -2.742 6.685 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 0.326 0.742 -7.692 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 4.993 -1.017 1.102 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 -2.118 -0.717 -24.049 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 -0.901 -1.287 7.292 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 1.409 25.012 2.311 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 2.541 0.204 0.791 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 -3.745 2.262 -0.798 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 2.458 -1.172 -3.474 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 -15.757 14.949 2.627 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 1.810 -1.910 -0.565 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 -3.537 -1.751 1.526 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 0.380 1.812 -8.250 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 12.963 -14.759 -20.241 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 1.164 1.847 -1.660 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 7.746 0.580 0.218 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 -0.806 -1.780 0.289 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 6.819 6.770 3.896 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 -0.696 6.533 3.749 1.00 0.00 SBOX O ATOM 1822 P URA A 64 -0.950 -2.789 1.925 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 4.429 6.427 0.067 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 -5.102 -1.114 4.258 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 -4.163 0.347 -7.193 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 1.432 -2.397 -3.224 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 -11.417 12.884 -27.070 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 7.048 -31.029 -11.190 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 -0.260 -9.455 -1.463 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 6.686 -13.711 8.592 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 0.614 2.292 3.467 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 -2.595 6.633 -5.334 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 -1.602 4.776 5.369 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 1.158 -1.838 3.528 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 1.537 2.501 0.229 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 -6.068 7.658 32.462 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 0.845 -2.311 -8.332 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 4.029 -19.963 -8.109 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 4.338 3.209 -0.852 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 10.125 -6.191 2.805 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 3.993 -0.087 -2.679 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 -7.029 -6.695 18.102 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 1.456 0.055 -1.486 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 -6.108 4.021 3.195 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 -0.686 0.459 6.063 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 -6.221 9.334 0.601 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 0.595 -7.288 -0.513 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 20.511 -11.573 17.396 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 -0.222 -1.719 -5.814 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 2.402 -9.406 -18.316 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 -3.251 -7.809 2.650 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 -2.564 -3.409 -0.622 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 2.515 -0.883 0.255 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 1.537 1.979 5.171 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 -2.261 -1.159 3.020 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 0.674 -2.473 1.134 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 6.282 -1.808 -2.481 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 -5.242 -0.686 -3.522 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 0.785 4.584 1.040 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 0.315 5.435 1.118 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 -7.166 3.767 3.934 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 1.632 -5.074 -1.810 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 6.278 -9.244 -2.853 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 1.485 6.051 -3.928 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 6.553 -0.001 4.206 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 -13.578 -0.008 -10.273 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 -2.847 6.285 -0.132 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 20.131 2.672 -15.310 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 -6.805 7.464 -3.718 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 0.870 1.012 -5.603 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 -12.940 -13.358 -2.156 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 10.992 -0.336 -13.555 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 5.562 -3.615 1.284 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 -0.001 -0.840 -3.240 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 1.511 1.374 4.469 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 -0.242 -4.976 0.412 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 -8.146 23.409 -0.791 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 -5.408 1.543 -3.652 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 -10.424 -3.714 -1.224 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 -4.837 -6.469 -0.027 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 -2.896 -24.866 25.123 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 -8.273 2.340 -0.124 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 2.028 -1.070 -1.694 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 -8.591 3.019 -4.564 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 -0.230 3.031 -4.350 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 -4.538 -3.493 -5.103 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 -10.938 -3.747 9.560 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 -6.437 2.217 10.916 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 -11.485 -4.809 8.771 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 2.422 1.888 1.002 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 5.994 22.823 -17.276 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 -4.431 -3.701 -2.033 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 1.064 -9.668 6.100 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 -7.184 -11.975 5.692 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 -0.378 -3.406 0.178 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 -4.176 -5.555 1.592 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 -8.058 -3.351 -3.929 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 -0.649 0.417 1.099 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 -22.300 20.350 -15.148 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 -4.319 2.334 -3.425 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 -1.776 -7.682 -1.337 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 -7.337 0.925 -13.386 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 -10.658 -5.861 -4.197 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 -5.916 -0.163 -0.558 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 8.932 10.287 1.699 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 -0.656 -3.329 -2.478 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 2.186 -2.476 -1.474 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 -1.371 -18.237 7.978 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 5.257 0.745 4.542 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 11.027 2.321 -13.429 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 -7.278 -0.659 -3.376 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 -6.326 -7.948 -1.649 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 -2.399 -2.755 2.408 1.00 0.00 SBOX O ATOM 1914 P URA A 67 0.583 -7.520 -3.107 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 -1.015 -5.285 -5.788 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 4.757 -2.212 2.625 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 -2.182 -5.134 -4.598 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 1.484 5.828 0.185 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 -23.084 -13.607 6.882 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 -51.150 22.522 -25.018 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 4.976 2.906 -3.986 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 -15.048 0.396 -0.813 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 -5.426 -1.699 4.716 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 -3.932 -3.821 3.513 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 -11.033 -2.379 -4.907 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 -7.784 0.302 1.207 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 -0.731 -4.961 1.319 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 -4.334 3.126 5.217 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 3.311 -0.980 -5.364 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 3.257 12.341 -15.562 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 7.895 7.005 2.056 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 5.945 6.671 3.975 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 -3.535 -9.686 4.125 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 -15.787 3.515 -23.796 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 1.723 -5.894 -1.902 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 -2.044 -2.307 3.997 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 7.984 0.267 1.925 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 2.286 -7.435 5.396 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 0.391 4.064 -0.935 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 13.254 -2.172 -4.805 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 -5.459 -2.902 2.066 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 14.226 20.983 10.784 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 1.392 -0.946 3.533 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 -5.495 0.659 3.576 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 1.821 -0.162 0.338 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 4.334 -2.041 -3.165 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 0.998 -0.121 -3.380 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 1.064 -1.047 2.649 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 -27.612 4.589 7.160 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 7.401 -16.803 -11.641 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 -0.128 -0.731 -4.582 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 4.920 10.892 -16.902 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 -6.192 0.065 -1.150 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 -5.991 4.147 -5.089 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 0.563 -3.522 -1.399 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 -9.572 -1.169 6.180 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 4.682 0.721 3.744 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 3.464 1.262 -0.182 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 -1.229 -0.965 0.916 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 0.482 -4.270 -6.319 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 1.915 -7.025 -0.015 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 -1.097 -0.510 3.278 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 -1.293 4.693 -1.189 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 27.276 -4.588 -19.091 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 -9.643 -1.950 -2.210 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 1.695 -1.166 9.679 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 8.180 1.042 1.785 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 1.493 4.403 -5.016 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 11.029 4.728 -2.105 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 2.809 3.462 -5.284 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 -3.004 1.113 -2.143 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 -8.059 4.717 -13.117 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 -2.181 -11.276 -2.696 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 -34.456 4.122 -5.658 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 6.391 -0.864 1.563 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 -8.575 4.228 13.590 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 -2.069 -1.711 11.546 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 -3.547 -0.159 4.326 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 0.505 -1.437 3.263 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 -1.075 -8.467 -2.237 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 -0.523 -0.167 6.419 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 1.646 -0.138 5.559 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 -13.950 5.902 5.899 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 10.583 10.913 19.324 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 -1.394 0.841 3.544 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 2.876 29.370 9.874 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 -1.748 -5.472 0.193 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 -2.197 -2.542 6.164 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 -9.568 5.235 3.085 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 1.738 1.722 -2.199 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 -1.078 -8.704 7.993 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 -3.665 -17.690 7.575 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 -6.128 -1.810 -2.807 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 -6.446 -8.540 -6.084 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 6.702 1.783 1.078 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 3.501 1.308 0.199 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 9.869 11.110 9.218 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 -21.867 0.444 -3.896 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 -5.289 -3.300 -2.932 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 2.708 8.420 -1.800 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 0.099 -6.301 -1.079 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 -1.427 -8.822 2.535 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 -6.235 2.145 6.845 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 2.930 1.866 6.157 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 7.268 -7.881 -8.325 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 2.192 1.694 1.073 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 -6.802 10.087 -0.204 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 -1.254 3.561 -0.437 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 -0.320 1.273 2.102 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 -0.995 -2.107 -0.817 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 2.408 4.533 2.511 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 5.388 -0.692 5.530 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 -1.242 0.718 -4.403 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 7.035 -17.138 6.881 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 13.493 6.617 -6.907 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 3.765 2.620 -2.554 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 10.666 -0.750 -3.488 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 -2.171 6.084 -6.665 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 -2.382 -9.181 3.395 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 -2.536 12.356 -13.798 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 -2.044 -0.962 -3.014 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 2.566 1.297 1.226 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 -2.539 -7.406 -0.830 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 10.491 -3.907 5.049 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 -1.395 4.335 1.103 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 -2.802 -4.124 -5.627 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 -1.288 -0.468 -0.355 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 -5.708 -6.585 35.108 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 14.055 23.032 1.085 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 -6.932 3.252 -2.001 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 6.371 -2.434 0.020 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 27.761 15.245 19.728 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 3.272 6.638 -6.961 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 -4.801 -2.069 3.203 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 -1.787 -2.181 7.991 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 5.254 3.429 8.780 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 1.711 4.655 0.020 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 8.393 9.230 -8.795 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 -3.722 1.221 2.668 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 -3.446 15.117 -1.345 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 -4.649 -2.774 -6.099 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 3.356 3.018 -2.055 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 -4.707 1.884 -1.083 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 5.878 -7.047 -6.036 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 -5.096 -6.788 -5.065 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 -1.756 4.765 0.706 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 -0.918 -8.681 8.372 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 -10.765 4.388 0.276 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 1.195 -6.565 -1.451 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 4.926 -14.221 -3.124 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 4.730 -2.769 -9.194 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 -5.229 11.221 6.130 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 -5.738 1.759 19.759 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 3.338 -3.628 5.980 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 -3.037 1.516 2.132 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 -0.221 6.139 3.615 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 -0.254 -7.517 1.023 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 -1.810 2.422 3.546 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 7.565 5.294 6.317 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 2.103 -1.082 -3.356 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 1.226 -9.660 -1.473 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 -4.246 15.160 17.649 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 -2.862 -3.185 1.393 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 5.930 -9.450 1.737 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 23.521 13.476 7.308 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 26.792 -26.110 12.105 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 0.863 3.029 0.644 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 -3.755 -5.126 5.585 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 0.318 3.680 -2.900 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 4.363 -7.289 -1.382 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 1.595 0.705 -4.966 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 1.631 -21.198 -0.922 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 4.794 -4.114 2.463 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 2.009 -0.564 18.917 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 -5.805 1.814 -0.376 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 -1.903 2.352 -1.028 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 -1.923 -1.697 2.280 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 6.155 0.430 -0.716 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 3.020 -3.660 -1.513 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 -3.332 2.462 -1.351 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 17.209 -22.167 7.624 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 13.232 -1.241 11.811 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 -7.122 -1.005 -0.891 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 -3.330 -11.233 3.103 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 0.359 6.394 0.985 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 2.428 3.239 -0.878 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 -0.721 3.147 -24.135 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 -8.142 -1.129 -1.588 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 -2.939 -2.750 0.572 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 8.241 -0.133 -1.907 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 2.495 1.311 1.549 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 0.519 -7.097 9.118 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 5.280 4.397 0.873 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 0.649 2.130 2.371 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 -2.452 2.995 5.442 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 -2.113 -10.592 -28.031 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 -5.099 -1.541 9.155 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 -7.245 7.890 1.971 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 3.175 -8.012 -0.052 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 1.126 -2.776 9.095 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 9.172 22.981 18.640 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 -7.183 2.167 5.693 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 -5.663 1.734 6.409 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 -2.527 -2.051 13.139 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 -4.868 2.980 16.685 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 -1.400 1.607 2.870 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 1.394 1.029 -2.954 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 2.903 1.940 2.216 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 0.141 0.633 -5.039 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 -3.605 -1.898 1.388 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 2.468 8.010 -0.678 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 -25.307 14.621 -15.958 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 7.614 1.736 22.553 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 -4.210 2.710 0.134 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 -2.885 5.776 9.496 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 1.845 6.334 -4.192 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 -0.600 0.678 -2.005 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 -1.807 0.245 6.690 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 0.576 2.134 -0.303 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 -0.157 1.588 6.073 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 -21.645 -15.959 -8.283 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 1.632 0.552 -1.107 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 5.575 6.405 -3.352 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 4.752 3.540 -11.053 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 -1.322 -1.607 -3.315 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 -4.471 -6.445 -2.555 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 -13.118 21.051 5.725 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 -3.078 -6.307 -3.672 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 -1.578 -4.876 -3.880 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 -10.032 0.353 -6.715 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 -1.573 -0.271 -12.612 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 -3.552 7.216 -3.547 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 2.729 5.223 1.661 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 -7.229 4.928 -1.241 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 -4.623 -18.646 23.026 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 -1.591 -0.226 6.440 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 10.976 23.009 15.617 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 0.788 4.385 -0.274 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 -22.553 -3.017 -11.455 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 -4.493 2.174 -2.731 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 0.705 -3.296 -2.373 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 -6.413 0.889 -7.508 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -2.129 -3.728 -1.513 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 -0.432 1.341 2.514 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 -8.394 -2.375 -2.324 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 -8.556 9.786 -9.924 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 -3.149 2.675 1.234 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 -0.797 -7.774 -5.677 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 12.197 20.419 -38.196 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 -1.161 3.100 -0.966 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 -0.120 2.074 2.705 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 18.063 0.270 1.382 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 2.247 -4.376 -4.997 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 8.053 2.756 -4.590 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 15.444 -20.501 -21.072 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 0.639 2.159 -1.014 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 -5.874 -0.816 1.864 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 2.003 -0.654 3.068 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 1.157 -10.503 -0.275 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 4.980 0.727 4.203 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 0.396 20.769 16.451 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 1.865 -5.155 -7.109 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 -2.675 7.818 2.609 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 -5.029 9.905 -1.752 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 -6.540 -0.467 6.063 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 -2.127 -7.919 6.559 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 1.440 6.966 -10.253 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 4.148 -1.734 4.268 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 11.269 22.360 3.875 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 -2.777 4.211 2.251 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 -4.153 6.250 25.805 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 3.673 1.775 -4.001 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 -8.636 -5.010 -21.369 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 -4.175 0.585 -0.053 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 6.478 -4.731 -0.705 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 -2.291 -0.601 -2.337 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 -4.740 -1.757 -3.573 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 1.424 6.351 1.886 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 3.172 -3.693 -0.929 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 -29.585 -6.369 0.921 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 13.766 -13.146 1.752 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 4.355 2.546 3.953 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 2.844 -12.670 -19.837 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 3.701 1.434 -1.637 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 -5.158 0.996 4.927 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 5.999 -1.146 11.383 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 2.548 0.348 5.342 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 1.763 2.236 -3.914 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 -20.726 14.477 7.241 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 6.479 -1.398 9.390 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 -5.358 -5.954 -2.695 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 5.457 -1.804 -6.056 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 -7.162 -3.790 -5.191 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 2.991 0.019 -4.568 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 11.926 -23.274 -7.102 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 -1.817 4.356 -5.730 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 -0.405 6.625 -6.290 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 9.085 13.260 6.177 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 -4.069 -0.486 3.608 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 7.372 7.571 3.236 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 -3.759 2.654 8.223 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 -4.496 -3.960 18.791 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 8.043 -0.816 -0.719 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 12.388 -3.286 -12.536 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 -11.963 -3.352 0.345 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 -21.516 4.223 5.314 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 -2.625 -5.752 -4.421 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 -2.803 2.466 -4.586 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 -1.189 -10.008 -1.002 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 6.248 -6.570 3.246 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 -0.245 5.142 -0.506 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 -0.999 -1.666 -5.350 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 -1.462 -4.108 1.234 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 -15.290 6.246 12.597 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 -1.291 -4.299 -4.672 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 2.034 9.452 -0.798 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 -1.200 -1.774 -8.296 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 -4.762 4.643 -5.843 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 -0.548 50.850 -10.399 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 -0.339 -5.275 0.002 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 -1.517 2.785 -7.361 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 -4.488 20.448 9.264 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 -6.402 2.434 -11.146 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 -12.460 -5.864 0.358 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 -4.138 4.651 -7.730 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 4.863 1.607 10.118 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 -10.406 -18.604 25.426 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 -39.442 13.344 11.473 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 1.497 -2.476 2.356 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 3.728 -2.028 3.059 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 -6.264 1.380 6.731 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 0.538 -2.745 -1.299 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 -0.362 3.761 -4.070 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 2.855 -0.080 0.911 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 -2.819 -26.820 -0.936 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 5.566 -2.531 2.588 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 -7.342 -18.525 20.868 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 2.094 -7.071 7.491 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 -9.829 9.876 6.346 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 -5.669 -5.601 -2.663 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 -2.846 2.603 1.728 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 -0.332 3.665 0.651 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 4.475 2.860 0.687 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 6.120 4.437 -0.168 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 4.702 -5.656 -4.431 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 -4.811 9.726 -30.362 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 17.683 -16.470 6.853 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 -0.917 -7.805 -4.707 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 23.780 2.436 7.326 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 0.764 -4.799 8.639 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 -0.679 3.798 5.727 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 0.703 19.311 -0.919 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 2.127 -4.673 2.907 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 1.131 -4.608 -16.548 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 -7.765 -20.353 10.210 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 -0.768 -5.529 5.144 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 -3.176 0.895 3.170 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 -2.864 -2.654 -3.101 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 4.681 -3.416 5.763 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 4.719 -4.702 4.679 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 25.742 6.093 -4.370 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 0.761 0.717 -2.499 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 5.500 -1.000 -4.042 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 1.129 -18.566 -3.006 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 -2.062 -5.349 0.071 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 -7.232 -1.087 5.771 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 6.856 -8.200 -2.461 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 -8.659 1.359 -4.708 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 -2.467 3.371 -4.595 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 1.686 7.376 -1.631 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 3.436 -0.030 1.653 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 11.557 -1.495 14.004 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 3.072 -1.399 -1.876 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 -0.452 0.580 -5.084 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 -12.682 -5.717 -1.840 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 0.571 -1.045 -2.441 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 -1.422 1.719 3.004 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 -9.111 4.117 -2.388 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 -4.464 6.962 -3.934 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 3.555 2.000 8.334 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 0.396 1.432 -3.608 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 1.774 14.635 -1.007 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 -5.421 -1.601 -8.645 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 -7.866 6.681 4.435 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 -15.419 12.342 11.481 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 -4.748 -4.263 5.275 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 -2.243 4.141 6.982 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 -0.661 0.307 4.751 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 0.619 2.239 3.618 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 -2.222 21.863 -8.417 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 4.244 4.911 2.798 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 -5.016 12.628 -3.555 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 27.939 -0.200 7.947 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 -0.276 -17.959 32.998 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 -2.873 -1.707 0.252 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 0.620 -7.367 -2.754 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 -6.784 1.856 3.204 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 4.762 -5.981 -3.632 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 -1.800 -7.059 8.748 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 -1.986 -6.664 1.797 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 -28.260 -5.023 1.781 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 1.388 0.101 -3.513 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 -5.821 5.276 -4.499 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 5.346 -1.990 1.747 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 -1.552 -4.095 -0.108 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 -6.029 -0.953 6.264 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 2.161 -1.387 -4.072 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 0.814 -0.676 -5.244 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 4.842 1.960 -0.529 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 36.414 25.786 -12.389 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 3.374 2.704 -22.047 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 1.405 -6.665 5.421 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 4.950 -31.938 3.528 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 -1.599 1.838 -3.967 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 -4.596 -1.419 1.580 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 -5.992 0.623 16.647 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 -1.559 0.653 2.553 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 -1.426 1.416 1.077 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 7.463 -12.144 -8.127 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 1.947 0.093 -1.185 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 1.556 -0.357 -10.321 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 3.045 -4.174 0.270 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 -3.336 -5.809 -2.757 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 -2.066 1.907 -3.868 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 -8.831 -1.392 -3.478 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 -0.338 5.882 3.869 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 -2.174 5.800 3.468 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 20.555 3.849 -11.684 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 -0.102 9.540 12.298 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 1.167 -0.926 1.479 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 -8.072 1.763 6.182 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 0.700 2.568 1.298 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 8.493 -14.431 -10.213 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 -4.140 0.361 -0.366 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 -14.944 -9.726 9.010 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 4.011 -1.578 -5.138 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 -9.369 -2.887 -3.944 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 8.257 -4.581 -5.661 1.00 0.00 SBOX O ATOM 2339 P URA A 80 2.292 -2.093 1.202 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 2.626 1.526 4.738 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 2.856 0.913 2.494 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 2.806 -1.877 6.140 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 1.315 0.125 -4.137 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 -11.423 12.678 -6.275 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 26.135 30.234 -22.156 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 -5.145 3.005 2.138 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 -18.686 6.203 -17.869 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 2.622 -0.405 -3.099 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 -5.077 -8.876 -6.148 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 -23.087 6.530 22.184 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 2.616 -0.189 0.245 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 1.450 -0.122 -8.312 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 -22.303 -18.417 13.615 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 6.721 -8.415 4.678 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 -21.128 22.225 20.768 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 -4.546 8.546 -4.743 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 4.480 -2.837 3.601 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 -1.176 0.426 0.128 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 -5.990 -4.281 1.977 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 0.990 3.650 -2.721 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 3.108 3.517 1.685 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 -4.513 0.136 1.764 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 2.215 -7.067 -2.779 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 3.037 -2.280 -4.471 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 7.595 -9.958 -6.599 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 -0.533 0.681 6.500 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 -5.838 9.360 5.242 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 -3.945 -0.190 -1.270 1.00 0.00 SBOX O ATOM 2369 P URA A 81 1.437 -0.802 4.099 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 0.361 0.107 -2.776 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 4.293 -0.901 -2.635 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 6.703 -0.794 15.719 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 -1.661 8.791 3.459 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 10.904 -19.601 15.322 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 21.133 4.731 10.427 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 -0.414 -4.686 3.953 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 -29.857 2.378 -18.690 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 -0.079 -8.126 -1.568 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 0.246 -1.554 -8.432 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 8.520 2.232 11.261 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 -4.471 1.711 3.354 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 1.822 -0.838 -3.207 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 9.104 10.236 -17.966 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 0.942 5.902 1.802 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 18.571 -1.671 -12.323 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 -0.119 -2.271 5.071 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 -2.041 4.935 -3.398 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 -4.767 -9.542 3.099 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 -6.362 -16.732 35.756 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 -1.782 -5.947 4.490 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 4.541 0.220 -3.676 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 1.925 4.911 8.351 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 0.995 10.968 13.257 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 2.214 -1.218 0.549 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 2.791 6.945 -9.770 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 1.853 -4.879 3.373 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 -8.756 -6.716 23.472 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 -4.793 -0.325 4.374 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 6.229 3.302 1.207 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 1.063 -6.321 5.509 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 1.739 1.042 1.966 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 -1.302 -3.653 -1.753 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 -1.706 8.910 -3.611 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 -7.681 12.326 8.238 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 16.774 27.243 -10.613 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 2.636 -2.829 8.176 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 1.598 14.232 18.426 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 2.647 4.225 0.027 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 0.704 -1.085 -4.939 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 10.367 -0.110 -17.512 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 -2.609 -4.080 2.204 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 1.241 -7.922 9.466 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 -10.979 -12.225 -31.844 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 -0.851 -3.254 0.623 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 -2.206 -11.023 4.951 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 9.973 -0.454 6.514 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 2.345 3.997 -2.396 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 -1.386 -3.818 -0.425 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 21.323 -0.907 29.238 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 -0.316 2.307 -4.147 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 1.244 4.854 6.325 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 -18.858 35.763 -19.124 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 7.638 0.981 2.859 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 5.822 0.451 -0.159 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 -5.378 -5.771 0.779 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 -9.601 -7.209 2.906 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 8.145 -3.433 3.233 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 -0.434 0.582 1.785 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 10.601 -9.096 8.590 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 6.529 -4.929 -4.282 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 -7.374 -13.744 7.467 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 -2.055 3.496 -0.895 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 3.114 1.889 3.200 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 -9.466 -5.096 1.681 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 -5.008 3.556 5.424 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 -8.529 0.017 -2.406 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 4.346 3.493 -4.528 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 -24.206 10.148 0.810 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 3.559 -4.741 -11.008 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 -0.845 1.620 0.419 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 7.319 0.505 -1.463 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 -3.259 -3.233 -2.411 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 0.164 2.720 -4.322 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 -14.110 4.372 -24.948 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 -1.335 -5.552 1.196 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 -1.868 4.335 2.374 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 6.090 10.934 10.849 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 -1.794 -2.709 -0.196 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 -5.397 -2.019 -3.921 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 1.043 2.026 -4.171 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 -2.159 -0.084 -3.852 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 1.732 2.237 -1.901 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 0.897 9.698 -4.915 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 -0.352 -6.224 -1.692 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 -1.210 -3.601 2.801 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 -9.157 -12.377 -23.726 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 -0.493 -1.166 -2.635 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 -7.564 -0.467 4.749 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 -5.160 1.436 5.115 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 -4.562 2.657 7.265 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 2.669 7.661 4.187 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 7.624 11.093 13.767 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 -2.036 -0.948 6.300 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 -21.460 -13.152 4.932 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 2.154 -3.578 2.245 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 -1.124 -1.046 1.149 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 -4.044 4.606 -2.281 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 2.422 0.463 2.044 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 2.579 -6.285 6.433 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 8.263 -0.119 12.031 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 -2.232 5.089 24.793 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 11.206 10.201 4.564 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 -2.281 0.240 -3.537 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 -13.275 -13.523 -0.469 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 6.152 -2.255 0.081 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 -3.991 -1.431 -3.716 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 -40.294 -19.840 -5.611 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 3.963 3.939 -1.487 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 -1.083 -4.458 -3.463 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 23.948 -9.428 0.670 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 2.185 -2.245 4.163 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 -0.464 7.361 -2.593 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 -6.315 2.832 -0.598 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 -1.545 0.471 1.849 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 8.387 13.246 10.710 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 -8.171 -14.829 -2.883 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 -0.936 -2.343 -11.121 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 1.939 1.264 3.045 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 14.912 1.460 15.146 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 11.680 -0.208 4.244 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 3.129 4.758 -4.078 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 -1.865 4.859 4.089 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 -6.360 7.785 -23.556 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 2.848 0.770 -1.581 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 -4.963 -4.961 -12.865 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 2.649 4.628 -2.002 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 -4.880 -26.888 -5.213 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 -2.787 -2.573 1.859 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 3.572 3.293 2.705 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 -3.664 -2.051 -3.846 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 -4.921 0.603 -2.193 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 -7.072 -0.912 -0.849 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 3.540 8.390 3.822 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 9.695 8.808 -3.875 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 21.969 0.909 -30.271 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 1.720 4.427 -9.271 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 9.874 3.038 0.978 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 6.764 1.875 3.946 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 -1.959 1.771 3.167 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 -12.336 9.701 3.255 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 4.518 -5.330 4.890 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 4.936 1.841 -0.630 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 4.106 -1.457 -2.235 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 5.688 -2.082 4.489 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 7.307 4.514 0.793 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 4.781 2.488 4.614 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 -5.688 0.687 1.388 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 28.458 28.843 -28.726 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 0.001 6.280 4.276 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 2.173 3.817 1.594 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 -5.707 -0.960 -4.837 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 16.167 -5.510 -10.918 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 2.082 1.932 -2.257 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 -2.954 1.428 -2.341 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 7.729 1.626 5.634 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 14.352 0.977 11.656 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 -3.719 -2.832 -11.212 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 -5.893 -7.222 14.120 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 -0.921 -0.353 -2.678 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 5.783 12.417 2.652 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 -6.085 1.330 3.379 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 -3.557 1.113 0.667 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 -4.794 3.943 6.253 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 -5.901 -1.754 -2.062 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 0.867 2.702 1.961 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 3.456 -0.082 0.220 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 6.127 2.359 -0.574 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 10.785 -9.505 -17.346 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 2.847 7.727 -0.424 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 -9.913 5.036 -5.979 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 -2.980 -1.994 0.546 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 0.630 2.913 2.864 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 10.084 5.234 -4.125 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 0.203 -0.873 -2.926 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 1.758 5.789 -2.896 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 -12.450 -23.641 3.528 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 2.050 -0.968 -0.901 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 8.301 4.736 9.107 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 2.063 3.011 -5.370 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 -3.965 -1.983 2.475 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 3.404 -3.929 4.171 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 -5.352 0.285 -23.290 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 2.554 -0.267 -1.892 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 1.706 5.817 -4.042 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 3.418 8.659 -2.927 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 6.054 6.668 -1.620 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 4.025 -0.057 4.461 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 0.865 -2.585 5.387 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 -2.769 -6.300 -4.371 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 -1.360 -7.207 -4.224 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 -5.559 3.763 1.814 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 -3.551 13.454 -6.103 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 -2.705 0.432 6.773 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 4.620 -25.548 4.912 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 -6.601 2.010 -11.701 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 1.064 -2.223 -2.524 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 -5.233 0.416 -5.459 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 1.740 2.301 1.867 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 -3.402 3.585 1.119 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 -0.390 2.406 3.043 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 -5.025 -5.663 8.597 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 -9.250 16.353 23.983 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 5.651 13.904 -6.913 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 -8.229 -4.510 -22.997 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 1.390 2.115 -2.529 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 -3.804 -1.494 4.989 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 13.626 13.034 -25.192 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 -0.736 0.332 4.817 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 8.757 -0.503 -0.237 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 -13.387 -8.861 -30.813 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 -3.199 -3.370 -1.107 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 -1.169 1.540 1.263 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 -0.471 3.427 -5.581 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 4.427 -2.742 -2.381 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 3.744 20.730 -3.551 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 -4.073 -11.403 10.943 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 4.321 -0.119 1.354 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 2.750 4.757 -0.610 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 -1.950 -7.109 24.616 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 12.032 7.695 -3.911 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 -3.323 -2.215 -3.834 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 -1.229 -0.579 1.461 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 -8.334 7.292 10.013 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 6.434 -3.633 -6.532 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 15.463 -4.863 -2.847 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 -6.944 2.522 -3.986 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 -7.933 -1.550 -2.945 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 -0.447 1.121 -2.438 1.00 0.00 SBOX O ATOM 2599 P URA A 88 -1.092 -3.440 -3.324 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 6.362 3.311 -1.621 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 4.670 6.359 2.233 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 4.075 -2.073 5.891 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 -1.868 -0.457 -1.670 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 -1.246 -6.814 -0.084 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 -1.807 9.304 -41.856 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 0.859 0.730 2.045 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 -21.991 -17.250 6.483 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 0.070 -3.961 -0.493 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 0.632 5.060 5.179 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 4.900 4.759 -8.237 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 1.092 -5.380 -1.218 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 3.623 2.557 1.385 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 0.508 -10.113 -11.448 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 -1.908 12.992 -0.031 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 -11.346 -21.443 11.294 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 0.694 1.717 -6.506 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 1.943 5.968 9.774 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 -5.510 -2.676 5.708 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 4.093 10.186 21.204 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 -0.841 -5.916 1.949 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 -1.258 -2.152 -2.602 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 -4.606 -2.213 1.435 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 29.766 16.716 -11.773 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 -1.223 1.058 6.655 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 -3.092 -7.424 5.201 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 -0.066 -3.931 3.745 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 -19.714 -4.344 26.490 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 2.556 3.916 -4.278 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 -1.511 -3.941 -1.814 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 -4.154 -0.205 0.244 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 -2.645 1.791 3.536 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 0.449 -1.784 2.084 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 -5.662 -2.451 -6.365 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 -13.860 10.699 -4.211 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 8.391 -3.684 -6.744 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 -0.757 7.141 8.448 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 -8.107 -0.656 10.043 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 -2.387 4.195 -3.127 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 -2.531 -0.528 -0.784 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 -4.676 8.389 14.752 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 0.908 -5.910 3.033 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 -3.938 3.431 6.393 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 6.682 -32.564 -19.916 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 -8.670 7.274 4.792 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 1.066 -5.153 2.056 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 -0.368 1.195 -0.625 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 -2.935 0.222 0.453 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 -5.435 6.497 0.493 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 1.630 -6.299 -15.193 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 3.320 8.713 1.148 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 2.048 5.247 -1.604 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 -6.349 5.913 1.933 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 10.254 17.547 -6.262 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 2.634 2.309 0.273 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 4.530 1.136 1.174 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 6.913 2.987 -1.612 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 4.231 -7.335 -12.516 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 4.987 -1.554 8.932 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 17.890 26.493 16.564 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 3.913 -3.071 -3.257 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 12.785 -1.051 -5.592 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 6.186 0.315 -1.931 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 1.083 4.292 -3.610 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 -2.110 4.268 1.844 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 6.649 6.199 -5.222 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 2.102 -0.075 -1.449 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 1.529 -0.184 -0.364 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 6.616 -4.885 -5.702 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 16.610 0.080 4.574 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 1.033 0.136 -4.942 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 2.996 24.408 -1.281 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 1.008 -4.151 -4.221 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 2.191 -2.404 -4.118 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 -8.180 3.112 -19.795 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 5.276 3.883 -3.097 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 -8.956 -0.587 2.741 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 -6.466 0.099 1.130 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 -2.966 -2.999 -7.703 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 -0.463 -1.850 1.036 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 -8.960 -2.283 -1.234 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 3.568 3.513 -1.994 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 -21.836 -12.926 -31.646 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 7.177 21.600 19.805 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 1.476 -3.978 7.949 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 -2.353 5.584 0.376 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 22.125 -3.814 -4.829 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 2.945 3.804 1.098 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 -6.997 6.177 2.142 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 -1.351 -4.437 2.354 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 -20.895 -13.572 -26.438 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 3.512 0.442 4.151 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 17.255 32.750 6.325 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 2.406 7.240 0.462 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 14.472 -2.235 -0.001 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 -1.678 -3.084 -1.652 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 4.736 -3.222 -1.282 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 2.581 2.157 -3.645 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 -2.106 0.498 -1.049 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 -0.594 -0.596 4.542 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 -0.588 -0.133 2.363 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 2.519 2.347 -10.071 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 0.883 0.870 -0.459 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 2.992 1.348 -0.446 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 -16.670 -4.575 -14.694 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 -3.117 0.757 3.838 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 3.914 -5.408 -0.315 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 5.199 -3.692 8.106 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 1.325 -1.494 -0.045 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 -3.351 -3.961 -4.082 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 12.358 3.128 -17.697 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 1.594 0.450 -1.298 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 -6.137 -2.593 0.658 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 5.427 0.789 -1.342 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 -6.089 2.176 2.759 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 -6.844 3.966 5.710 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 -14.939 -1.503 -9.234 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 -3.377 2.352 5.361 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 6.158 -0.593 2.725 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 4.164 -5.009 7.490 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 2.486 23.431 2.412 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 1.514 -2.332 4.238 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 2.475 3.923 1.118 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 -0.064 -7.066 -5.938 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 6.508 12.007 5.871 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 -0.076 -0.493 0.424 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 -1.282 -1.759 -5.226 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 -2.158 -4.003 0.714 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 32.364 -0.026 25.443 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 1.486 -4.590 6.089 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 -1.366 3.636 2.626 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 -0.533 0.824 -3.302 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 -2.120 -5.186 -1.734 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 2.694 -5.788 1.985 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 3.180 10.338 -7.370 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 -12.844 -3.361 2.750 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 -14.027 33.178 -2.078 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 -8.935 4.879 0.971 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 -1.560 17.278 9.310 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 -2.740 0.484 4.271 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 4.232 4.488 1.320 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 -7.356 9.723 15.434 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 3.608 0.850 -1.091 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 5.512 2.747 -3.422 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 11.129 1.904 2.264 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 2.878 10.285 4.868 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 24.206 21.921 15.249 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 -0.811 -4.064 -3.465 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 15.631 5.561 1.324 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 10.732 21.602 -16.255 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 18.394 9.905 10.396 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 -5.151 0.107 -1.465 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 3.834 -3.696 1.040 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 6.299 8.350 -1.806 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 3.846 -12.946 -1.685 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 -12.584 -3.694 -8.899 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 0.261 3.494 8.488 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 13.608 26.511 21.855 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 2.981 3.076 -0.011 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 -12.688 9.661 6.761 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 -4.976 -2.268 -2.530 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 0.898 -2.263 2.137 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 -0.452 4.599 0.123 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 -7.292 -0.952 -0.701 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 -3.948 0.565 2.622 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 -3.484 -11.571 5.462 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 -2.033 -14.047 4.946 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 -15.078 -13.202 11.000 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 5.847 -4.488 1.038 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 2.301 -9.629 -14.525 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 -0.744 -1.685 5.662 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 -7.545 6.147 1.972 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 9.547 0.055 9.229 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 7.888 -1.773 5.922 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 5.116 4.598 0.197 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 -13.441 23.562 -7.965 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 -6.465 5.024 -7.163 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 6.398 2.078 21.003 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 0.742 -1.040 0.511 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 -0.869 -6.623 3.815 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 -11.378 -22.925 0.948 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 2.089 -2.969 1.830 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 -3.716 6.347 -6.704 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 -0.950 4.339 2.604 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 4.396 9.307 7.234 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 -4.478 0.771 -1.740 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 20.488 8.261 5.335 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 -0.638 -7.265 -3.762 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 4.772 9.621 19.404 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 2.071 -7.186 1.127 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 -7.081 -17.883 -1.142 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 -0.159 -5.416 -9.265 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 -9.059 -0.191 0.929 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 -0.935 -3.145 8.261 1.00 0.00 SBOX ATOM 2794 P ADE A 94 -2.985 2.430 4.515 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 -7.494 2.046 2.141 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 6.785 6.459 7.454 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 8.436 -0.629 -1.752 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 -3.067 7.619 -2.798 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 14.454 -3.922 -4.593 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 -18.665 0.625 18.509 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 1.937 2.409 -10.591 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 2.327 0.743 5.927 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 3.247 -3.766 0.232 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 1.009 -1.204 4.028 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 -4.280 -5.444 7.410 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 7.598 0.349 4.579 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 -0.105 -0.805 -2.037 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 20.517 8.764 -2.794 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 1.983 1.652 3.483 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 2.689 -0.267 1.538 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 1.220 -5.195 2.304 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 -8.532 -3.662 -2.217 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 -21.782 -16.448 -11.145 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 18.616 -2.142 6.283 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 -0.169 -2.226 -0.489 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 -1.143 -0.101 -3.414 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 -11.287 -2.269 -6.206 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 -1.080 3.810 6.470 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 1.566 0.795 -2.768 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 -0.166 0.472 3.461 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 -5.645 -2.922 6.088 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 4.058 0.713 -0.015 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 5.908 -4.280 -18.681 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 -1.868 -6.305 -1.088 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 -20.042 4.000 -1.371 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 -0.583 -0.327 0.547 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 -6.875 1.707 -7.828 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 -6.708 9.944 4.342 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 4.614 -6.395 -1.931 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 10.926 -15.218 -1.242 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 -7.357 15.985 0.248 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 -5.544 10.785 2.594 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 -9.190 22.092 13.660 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 -8.885 -13.066 -10.032 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 -3.042 -3.331 -0.213 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 4.547 15.218 -10.401 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 -1.236 -2.327 -2.135 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 -1.233 0.151 -6.372 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 -12.736 -5.423 -26.463 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 -2.773 24.142 -5.738 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 3.091 -3.697 5.840 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 -0.395 6.171 -12.433 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 -7.760 2.467 -33.507 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 -0.544 1.234 2.364 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 12.375 1.327 -5.592 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 -9.575 -9.427 -3.700 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 -0.582 3.789 0.630 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 -8.246 -12.106 3.824 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 9.224 26.942 -0.464 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 -4.069 -0.071 4.298 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 5.104 -0.860 6.970 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 -19.057 -36.617 -20.904 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 4.075 1.912 3.567 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 8.293 3.852 4.345 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 -2.914 -2.565 1.987 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 -1.209 3.099 0.185 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 0.163 18.237 0.518 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 -1.004 -1.277 -0.547 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 1.295 -1.853 0.549 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 6.842 -7.733 1.707 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 17.657 -17.011 -24.883 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 1.221 -2.319 1.689 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 -18.919 -2.056 -11.547 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 17.063 -7.497 -15.794 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 -1.880 1.344 5.801 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 -1.489 3.836 20.982 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 10.698 -15.571 5.430 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 1.670 -0.112 2.365 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 8.673 3.490 8.393 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 -3.612 21.059 17.332 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 -2.259 3.443 0.464 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 1.948 6.246 -1.869 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 3.292 4.281 -0.248 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 -1.116 -2.969 7.813 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 5.749 5.907 -5.167 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 -8.810 -8.949 1.936 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 -7.196 -3.940 -8.280 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 10.482 -11.206 -23.120 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 -6.825 17.486 -5.793 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 4.379 2.419 5.666 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 1.902 -13.412 9.547 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 5.065 -13.791 -0.052 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 4.891 6.250 -1.714 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 10.316 3.215 8.127 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 8.919 16.870 -5.214 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 -1.973 -0.856 -2.760 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 -3.199 -3.748 -12.898 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 5.485 4.838 -9.332 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 3.478 6.238 -1.387 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 -3.392 22.219 12.685 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 10.215 -8.117 12.259 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 -1.037 -4.176 -4.818 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 2.530 -2.335 -5.059 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 -3.479 -13.311 -4.921 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 8.531 -2.134 0.695 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 -24.493 -26.808 12.397 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 27.009 12.893 -4.212 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 -0.315 -6.316 4.910 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 -7.044 -8.480 10.602 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 1.508 -9.256 -12.710 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 -1.118 1.652 0.868 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 -6.201 3.740 4.792 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 -3.727 8.042 -18.337 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 -0.551 -5.083 -1.857 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 -10.750 -2.915 11.642 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 -19.023 6.659 21.998 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 -7.275 1.035 2.059 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -12.804 -4.445 5.760 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 3.186 15.599 -13.093 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 3.210 -1.181 -7.173 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 6.138 7.084 10.679 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 19.954 -17.389 -2.575 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 -0.210 -11.259 -5.343 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 -14.785 -4.986 3.285 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 13.342 -13.325 0.302 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 -1.968 -0.117 7.076 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 -12.126 10.937 8.396 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 -8.369 16.365 5.555 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 -2.144 -2.191 -3.203 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 7.656 -12.945 -7.941 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 22.617 14.116 -5.606 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 0.190 3.658 2.282 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 -0.944 -12.218 -16.531 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 17.015 9.203 1.728 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 -10.001 0.993 -1.769 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 -17.921 25.438 11.037 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 -12.726 13.636 3.637 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 -1.813 -7.931 4.814 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 16.181 7.646 -14.142 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 37.271 -5.249 -2.618 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 -4.189 -6.580 0.966 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 -8.829 -7.166 3.701 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 8.658 -1.601 -3.862 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 3.795 3.011 2.981 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 -1.300 -4.946 -23.880 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 2.462 6.228 4.554 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 4.484 0.987 -0.747 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 -15.792 -16.472 -26.690 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 0.520 14.633 2.263 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 -3.287 1.000 -0.732 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 -13.280 -16.040 -20.433 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 2.436 10.449 9.530 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 2.458 4.050 -1.462 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 -14.914 27.289 -3.511 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 3.475 2.609 -0.322 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 -0.517 1.818 -1.566 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 17.501 -23.265 -13.267 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 14.442 12.280 10.215 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 -0.059 3.118 -1.418 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 -5.696 2.862 -18.871 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 0.886 -4.327 8.255 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 4.648 3.849 -0.200 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 -6.293 4.656 12.274 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 9.973 16.544 2.836 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 -4.037 -0.508 4.405 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 -1.511 5.296 -2.659 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 -10.053 -13.162 13.670 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 5.122 0.948 4.647 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 18.924 8.100 14.859 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 14.483 -27.582 -12.611 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 2.401 -0.919 4.309 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 9.424 -1.195 -8.355 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 -7.973 2.706 9.899 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 1.207 4.338 -6.381 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 -4.672 -0.055 10.974 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 17.469 -15.778 1.519 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 3.774 0.372 -0.206 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 -2.632 -3.586 21.460 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 13.026 -14.514 -3.032 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 7.793 -3.320 -7.332 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 6.456 3.707 -14.103 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 7.613 -25.115 5.620 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 -5.220 7.234 -2.442 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 -10.813 14.000 -4.135 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 8.311 13.607 -12.044 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 1.701 -3.898 3.505 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 14.708 11.708 -12.963 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 22.335 26.777 11.418 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 5.127 -5.116 2.905 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 18.759 -18.438 14.127 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 -15.698 3.444 -8.234 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 2.280 0.066 1.772 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 14.061 17.521 4.941 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 6.463 -1.115 -21.868 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 6.064 -7.339 2.087 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 9.496 -3.758 4.217 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 8.372 -1.891 -9.985 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 0.978 -5.203 3.710 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 8.778 -2.704 -13.787 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 3.789 -1.739 -6.184 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 -2.832 0.696 -0.769 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 -11.787 9.508 -5.331 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 7.085 -0.550 -11.088 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 -0.080 -6.147 -1.261 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 5.162 -10.800 -1.404 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 7.822 -10.475 0.355 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 1.662 2.626 5.288 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 -0.167 2.051 5.777 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 2.263 4.650 4.874 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 -0.097 -2.307 2.188 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 -15.084 31.871 -4.435 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 1.141 0.718 6.882 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 -3.256 9.268 -4.421 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 2.668 2.527 8.099 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 19.350 -0.000 0.162 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 0.165 -0.173 -3.455 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 2.620 -18.584 -2.623 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 2.689 4.316 13.554 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 8.393 -0.333 -0.907 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 -4.538 -8.575 6.078 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 3.186 15.657 6.569 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 2.804 3.328 -1.067 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 -8.899 -11.822 7.645 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 -23.922 31.289 12.016 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 -1.103 4.156 -1.772 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 14.955 8.632 -15.715 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 -13.899 -0.658 1.122 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 -0.361 -8.875 -1.610 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 5.227 -13.924 5.138 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 -2.770 -8.527 -5.509 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 4.674 -2.484 0.106 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 4.353 -5.414 -7.737 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 3.875 10.243 1.205 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 4.845 -0.024 -0.401 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 21.146 21.129 4.865 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 -5.838 -2.460 -29.865 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 -4.475 3.307 -3.117 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 -5.305 -4.788 -1.018 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 -5.335 4.924 -2.945 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 -1.997 2.947 5.451 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 -12.225 31.815 10.604 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 -6.744 -0.854 -26.495 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 7.486 7.527 2.632 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 1.479 -6.093 -9.162 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 10.352 -7.108 3.960 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 -6.144 4.021 5.989 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 -4.892 -13.920 8.803 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 -11.446 14.651 1.722 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 1.178 1.559 0.335 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 -0.123 5.455 -25.200 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 -9.093 -10.381 16.416 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 2.872 -1.171 -1.611 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 6.782 -0.649 12.663 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 -4.234 10.560 -3.238 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 0.907 -5.591 -3.394 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 1.652 -9.957 4.985 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 -8.531 -19.125 3.634 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 1.495 -2.909 5.701 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 2.013 -3.495 1.027 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 -0.551 -2.857 20.366 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 -3.152 6.553 -5.763 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 -15.489 0.758 7.739 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 5.000 4.576 -14.862 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 -1.310 -4.599 -3.364 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 -13.317 -3.397 7.870 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 7.430 2.855 -8.116 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 4.191 -1.859 0.970 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 5.504 -2.038 -1.710 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 0.623 3.509 1.219 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 -1.868 -0.116 -1.459 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 -12.770 29.660 -7.816 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 -20.146 -12.177 12.521 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 -4.191 2.587 0.832 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 -2.387 -1.854 9.231 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 -4.844 13.723 -12.794 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 -8.567 -0.957 -3.385 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 -8.899 13.230 -11.636 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 -8.565 5.953 7.964 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 0.452 3.589 1.737 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 18.121 27.406 -7.727 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 -7.046 -6.092 4.824 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 -7.473 -3.033 -5.512 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 0.731 12.915 16.299 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 6.350 -15.074 -7.516 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 -1.371 3.663 -0.666 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 -16.328 13.272 5.860 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 4.058 -7.001 -19.995 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 -10.410 -1.780 -1.304 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 33.187 -2.793 14.356 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 -4.274 29.815 -5.489 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 -2.599 -1.317 -0.847 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 -0.566 -6.173 15.111 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 8.480 -2.078 17.498 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 3.664 6.181 -2.456 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 -0.835 -2.237 1.871 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 -5.258 20.009 -8.468 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 -3.505 -2.152 7.279 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 12.084 35.250 -18.874 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 9.117 4.417 -1.446 1.00 0.00 SOLV ATOM 3090 MG MG X 205 1.000 -0.591 -0.673 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 1.106 -1.558 -2.278 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 5.842 -0.996 2.634 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 -19.978 -26.610 24.383 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 -0.288 0.999 3.934 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 5.019 0.298 3.881 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 2.668 -9.188 7.571 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 -4.225 0.100 -5.073 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 -5.600 1.197 -7.078 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 0.226 3.019 -6.342 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 4.171 1.214 7.682 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 2.246 -6.357 18.588 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 -2.412 -0.586 -6.931 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 -2.310 -0.559 -1.581 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 -4.962 9.691 4.121 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 2.806 1.646 -1.357 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 3.391 -6.005 -3.015 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 -5.794 0.259 5.021 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 2.917 -2.043 -2.653 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 19.813 -1.895 -12.467 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 5.959 -24.823 -10.627 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 -5.649 -4.497 -1.950 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 -9.375 -23.968 16.493 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 1.460 0.956 -6.684 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 15.225 0.880 20.198 1.00 0.00 SAM ATOM 3115 N SAM X 301 -1.120 -4.232 0.575 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 -1.451 0.011 12.266 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 10.646 14.176 44.491 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 -19.134 7.970 -3.434 1.00 0.00 SAM ATOM 3119 CA SAM X 301 0.688 8.231 0.077 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 -2.954 24.611 -4.621 1.00 0.00 SAM ATOM 3121 CB SAM X 301 -0.757 0.277 1.912 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 -16.948 -41.594 10.573 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 2.473 -12.816 10.698 1.00 0.00 SAM ATOM 3124 CG SAM X 301 -0.396 -0.408 -0.098 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 4.836 -10.866 1.945 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 9.169 1.291 -11.038 1.00 0.00 SAM ATOM 3127 SD SAM X 301 2.410 -1.597 -2.174 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 2.412 -3.547 0.076 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 -19.287 3.058 15.388 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 0.743 5.729 25.975 1.00 0.00 SAM ATOM 3131 CE SAM X 301 -0.011 4.148 1.435 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 -12.762 -11.760 1.008 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 -2.659 5.649 2.572 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 -13.309 -5.632 -9.215 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 10.846 1.923 -5.576 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 24.773 26.445 -20.290 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 -1.747 -2.382 -1.490 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 1.111 19.882 -2.819 1.00 0.00 SAM ATOM 3139 C SAM X 301 -9.019 -3.472 -15.864 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 -6.085 -9.888 -2.148 1.00 0.00 SAM O ATOM 3141 O SAM X 301 6.157 -7.765 3.777 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 -2.889 -2.500 0.667 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 -0.111 -0.403 -1.922 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 -7.784 0.518 -0.093 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 -4.453 1.671 3.415 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 -13.391 18.054 2.916 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 -2.486 0.635 24.599 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 4.446 -1.453 2.968 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 7.234 -13.562 3.146 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 -1.042 0.301 1.910 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 6.238 4.158 -5.408 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 2.820 12.144 10.967 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 -3.085 2.605 -8.920 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 1.533 -9.947 0.777 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 -2.897 -5.051 -0.756 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 5.497 0.810 14.415 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 3.138 -1.044 4.720 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 -8.558 -9.887 2.081 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 15.112 26.751 10.913 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 -2.237 1.053 6.800 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 -3.846 -3.264 3.551 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 -11.005 -10.318 13.902 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 -1.512 -10.451 -0.142 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 9.087 -3.274 -20.911 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 -11.039 -30.147 17.519 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 0.037 5.023 -3.491 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 6.439 5.340 -4.909 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 7.914 -5.491 1.200 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 1.741 3.979 3.149 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 9.195 3.271 16.643 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 0.775 -6.072 -18.051 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 -2.388 3.160 -3.788 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 4.673 -1.030 3.510 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 0.702 14.123 -9.051 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 -0.377 0.931 -7.974 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 8.062 3.357 -0.054 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 -10.943 5.669 -7.215 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 7.282 4.082 -4.341 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 18.577 22.595 -8.585 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 -10.724 10.387 9.055 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 2.012 -0.919 1.313 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 4.312 -1.647 2.519 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 -5.359 -4.475 0.516 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 -0.945 3.447 -5.803 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 -7.654 -16.645 -14.889 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 11.066 30.789 38.672 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 -2.328 -1.565 2.885 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 4.834 10.379 -3.671 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 -11.909 -14.814 21.040 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 5.835 0.612 -1.733 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 -16.201 16.311 -14.686 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 4.045 -3.921 14.526 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 -0.228 -0.880 1.092 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 12.982 1.712 12.292 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 8.835 0.751 8.916 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 5.610 -0.085 1.004 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 -5.883 -0.922 -11.010 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 31.032 3.351 11.625 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 -0.202 -2.614 -2.178 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 6.964 -11.528 -7.260 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 -10.335 -8.788 1.290 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 -4.951 5.289 0.891 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 -0.247 12.016 -1.415 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 -5.584 -8.355 12.219 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 3.177 4.843 -1.883 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 -20.491 14.163 -8.816 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 -3.675 -4.009 -22.735 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 -0.215 -6.222 -2.509 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 -2.693 -16.496 -18.915 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 -1.887 -13.060 -11.429 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 -0.539 3.184 -1.411 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 -9.961 20.102 2.263 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 -10.768 -8.159 -11.646 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 4.788 -1.060 -0.541 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 4.753 7.361 0.946 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 7.589 -2.954 3.429 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 -3.821 1.626 6.769 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 13.004 4.854 -7.056 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 -6.278 -19.195 28.828 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 -3.660 -2.972 5.335 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 -6.206 5.135 10.122 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 -5.740 -8.134 3.332 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 0.100 -3.667 3.746 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 -23.638 15.772 7.696 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 -13.576 -1.678 13.913 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 -2.610 3.881 -5.355 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 -18.868 -10.200 14.442 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 -1.561 1.855 1.834 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 -3.012 4.858 4.891 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 8.702 18.023 -14.430 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 3.932 27.286 19.098 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 -7.298 0.486 7.048 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 -14.640 3.931 5.858 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 1.156 -0.052 6.589 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 -1.522 -0.289 0.750 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 -5.886 -9.314 -0.200 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 -5.229 4.065 -5.687 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 -6.375 -2.036 1.217 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 -6.348 -1.691 1.188 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 13.437 0.081 5.477 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 -0.316 1.997 -0.250 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 -0.976 -2.086 5.523 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 4.577 0.337 1.751 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 5.671 0.946 0.270 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 -10.391 16.669 -15.801 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 4.143 11.473 1.721 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 -4.781 -0.310 -4.169 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 -1.815 14.790 -13.118 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 -12.770 -8.043 0.342 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 1.929 5.493 -3.818 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 1.422 20.662 -12.135 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 1.102 -11.434 5.148 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 -1.131 -4.523 -1.895 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 -12.928 5.491 -4.296 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 10.336 -9.744 6.795 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 5.598 3.676 -1.988 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 -3.565 4.189 13.255 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 -0.457 -18.509 -5.591 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 -2.393 -2.352 -3.418 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 3.835 -1.370 -7.269 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -4.200 -4.104 -13.951 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 5.351 -2.357 3.640 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 -0.764 6.642 6.861 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 -1.536 1.210 11.398 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 0.787 3.985 -1.771 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 -8.486 -16.248 2.854 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 -9.620 -37.456 4.024 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 4.735 1.972 -7.282 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 7.926 14.221 3.702 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 -11.232 -8.947 -3.389 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 5.347 2.901 -1.719 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 -10.065 17.067 15.420 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 14.485 2.199 -42.549 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 -0.759 -1.606 0.671 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 6.677 -11.870 10.770 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 -8.702 -9.643 -21.152 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 6.784 -2.038 2.728 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 5.336 3.744 19.726 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 21.477 -21.892 -17.981 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 -6.022 -7.529 -3.611 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 -4.607 5.750 -11.059 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 -2.815 -12.999 -15.570 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 1.900 2.341 0.709 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 4.604 1.873 -5.675 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 -11.174 15.656 10.145 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 -0.115 -3.006 1.954 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 -17.451 1.000 -0.117 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 -7.523 -3.712 5.229 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 4.437 3.904 -3.580 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 -1.911 -3.933 3.744 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 11.608 0.483 4.445 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 2.046 5.130 -5.340 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 3.060 15.826 7.277 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 10.433 3.570 -13.257 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 0.311 2.751 -2.314 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 2.254 7.413 -6.510 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 -0.479 7.761 -3.202 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 -2.226 -3.344 -7.009 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 10.519 9.579 6.318 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 -5.139 18.423 -10.622 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 4.316 -3.689 -0.503 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 3.492 -15.600 0.017 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 5.258 -2.001 -14.390 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 -4.904 -6.998 -0.926 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 -1.130 3.864 18.778 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 17.744 -7.165 -9.790 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 -1.705 -1.442 -1.013 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 -38.593 -16.171 24.405 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 -2.296 -7.652 -8.803 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 -1.148 6.066 3.393 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 -24.830 -1.674 14.781 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 -8.717 8.048 10.184 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 2.273 -1.797 -1.947 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 -5.499 -1.116 -5.103 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 13.776 7.732 16.214 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 -1.438 1.737 1.236 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 8.248 14.084 -31.366 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 14.992 -23.640 -18.236 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 -2.534 -7.702 -0.864 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 -18.032 7.094 16.370 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 -2.645 -5.953 0.575 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 8.236 -3.113 0.824 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 3.664 3.716 -1.066 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 14.143 5.563 6.134 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 -10.416 5.787 0.451 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 10.883 24.855 17.294 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 -21.660 -4.945 -8.500 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 2.457 6.493 5.514 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 20.890 -4.464 -8.214 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 -15.523 18.098 17.642 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 1.398 -3.256 1.390 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 21.075 5.120 -9.790 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 13.637 15.886 -5.612 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 4.617 -2.752 -2.086 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 -26.530 1.954 -5.248 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 -10.047 -6.927 -6.619 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 4.497 -8.731 2.496 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 3.327 -14.482 -10.473 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 -2.542 -8.951 13.896 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 -4.288 -2.159 -4.093 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 -24.910 -7.533 -7.512 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 -13.583 -1.977 -3.483 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 -5.628 1.556 -3.206 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 14.664 0.118 -4.411 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 -0.579 3.579 -0.736 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 7.037 -3.722 -5.484 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 -6.211 -11.130 -3.662 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 7.017 -8.981 -7.340 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 1.999 -1.085 3.451 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 -14.216 -12.167 5.562 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 18.843 -13.304 6.077 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 -4.129 -0.268 -6.172 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 -16.176 -6.798 -4.612 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 -3.922 5.076 0.415 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 -0.748 1.846 6.052 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 1.920 2.788 4.121 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 -0.505 3.471 10.767 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 -5.450 2.409 -0.568 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 23.684 -6.269 0.012 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 -22.148 16.591 9.578 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 -1.881 -1.503 -0.053 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 -9.109 -23.973 2.621 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 6.687 14.637 20.451 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 -1.030 -0.436 -5.035 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 3.893 -7.632 6.347 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 5.521 -5.470 -14.093 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 0.933 -3.081 1.972 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 29.712 -10.159 -16.639 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 0.939 1.354 24.267 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 -3.578 -6.440 -1.842 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 -1.013 -13.794 -32.103 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 -3.834 23.359 3.899 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 -8.059 1.242 -1.714 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 -7.161 14.065 1.838 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 29.594 15.283 -15.655 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 -0.044 0.928 0.018 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 5.426 4.869 -8.454 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 -3.879 -26.741 20.645 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 5.792 3.209 -7.877 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 -2.608 21.873 1.158 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 -1.439 5.784 -15.570 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 0.298 1.245 1.302 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 2.155 21.564 -3.918 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 8.151 10.352 21.330 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 0.655 0.042 2.638 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 4.558 -0.347 -13.793 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 -8.588 4.989 -5.353 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 2.485 -1.343 -5.470 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 9.813 3.828 1.735 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 -27.704 -12.935 10.005 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 2.834 5.005 -2.316 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 2.054 -2.828 -3.667 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 -2.674 13.691 -4.535 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 -2.295 3.936 1.125 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 12.076 8.430 5.083 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 -12.978 3.740 -4.092 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 -7.251 -6.092 3.775 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 -6.545 -8.763 2.824 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 0.156 -2.811 10.531 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 5.966 4.948 -2.581 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 -3.294 11.996 8.311 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 -5.226 -5.879 1.329 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 3.068 1.159 -1.119 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 10.699 9.037 2.590 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 24.909 0.297 11.415 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 4.201 6.664 -1.692 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 15.375 7.188 -9.419 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 24.079 19.188 -11.320 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 -1.361 -6.068 -0.107 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 2.659 -21.051 -8.949 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 9.564 -13.661 1.196 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 -0.418 -5.175 0.436 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 22.010 -13.381 -10.109 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 -44.301 -1.315 17.784 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 -1.115 3.786 -1.294 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 0.725 -0.471 -2.018 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 0.559 5.418 -4.883 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 0.273 -3.314 9.481 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 9.950 20.007 21.717 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 -9.879 -6.434 -38.660 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 -4.403 -2.857 2.367 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 -0.875 0.546 -3.330 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 10.681 -1.348 25.436 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 -7.420 3.561 4.271 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 14.186 11.946 3.344 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 -12.170 1.056 26.690 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 6.788 1.917 7.262 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 5.183 2.471 11.957 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 8.846 -3.467 -9.876 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 5.177 5.156 1.393 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 -5.922 2.236 -23.171 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 -17.770 7.556 9.678 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 1.241 -5.778 3.236 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 -3.918 -6.213 8.535 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 -10.933 -3.590 10.430 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 1.166 4.369 -1.179 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 4.566 12.742 5.824 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 -9.901 -13.966 -11.631 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 -6.626 3.394 -0.596 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 -5.987 -2.155 3.547 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 2.607 6.752 10.561 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 2.220 -0.558 -5.154 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 17.403 -8.303 -6.062 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 4.892 -2.625 8.736 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 6.435 -2.028 -1.867 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 6.927 1.055 -6.160 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 6.006 -22.632 7.749 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 3.646 1.306 5.142 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 0.420 11.359 -6.994 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 -9.153 -0.014 10.948 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 -0.939 -2.935 2.117 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 -6.203 -22.066 2.011 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 4.845 -1.043 7.686 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 2.571 -4.321 2.245 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 -34.514 3.442 28.468 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 13.038 -6.679 -4.991 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 -2.001 6.313 2.640 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 17.039 -2.833 5.106 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 -19.370 -5.402 21.157 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 4.255 -4.975 4.132 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 -15.716 -10.657 2.062 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 18.638 13.316 11.415 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 -2.173 1.767 3.002 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 1.690 7.119 9.116 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 -7.817 -1.771 -3.823 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 2.238 2.282 6.529 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 14.302 -12.612 -2.647 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 1.359 37.541 -10.732 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 -2.700 -3.552 2.347 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 -4.430 3.578 6.565 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 3.480 -6.757 5.848 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 -3.938 -2.113 -4.988 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 -8.186 -16.129 -28.778 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 21.809 3.793 4.225 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 7.914 0.008 -0.239 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 -1.464 -2.073 -23.298 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 8.975 -8.908 5.075 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 5.223 0.236 2.423 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 11.284 8.433 6.310 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 -14.478 -16.916 -6.554 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 -3.385 2.890 1.748 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 6.608 3.558 4.530 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 -3.381 -14.740 0.284 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 3.874 2.519 3.175 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 -19.267 -8.381 -9.279 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 -13.075 -7.540 15.054 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 5.674 6.634 -2.593 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 -7.844 -1.714 -10.236 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 5.981 9.302 -0.322 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 4.304 -3.947 2.297 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 -24.595 13.780 4.442 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 -12.476 13.398 6.174 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 0.233 -0.399 0.873 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 0.026 6.969 7.071 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 -4.463 17.045 -14.195 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 -0.591 0.534 0.425 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 -31.548 1.291 0.231 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 2.451 4.099 -5.835 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 2.498 1.350 0.040 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 2.849 0.609 12.548 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 -8.819 -3.972 -2.105 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 -2.153 1.020 4.224 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 -5.167 12.322 0.820 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 12.579 -4.299 -0.948 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 4.751 1.480 -2.886 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 -16.200 -13.758 2.403 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 5.963 6.036 0.200 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 4.468 2.327 -0.656 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 11.024 -2.508 -0.417 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 8.130 -12.167 -2.833 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 8.769 0.092 -1.755 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 -4.644 1.771 -1.749 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 9.408 -8.276 -12.024 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 -2.137 5.657 -1.978 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 1.501 -1.826 -2.473 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 -8.503 3.290 1.202 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 4.693 1.288 7.928 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 -10.030 -3.186 20.345 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 -2.993 6.875 -5.915 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 -8.536 -6.273 -7.399 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 -10.342 -3.021 -10.295 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 -11.189 -13.913 0.228 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 4.566 -1.153 -8.499 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 -27.103 -11.069 -6.041 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 2.728 11.767 -1.595 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 0.056 7.737 -7.793 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 -0.630 9.941 -13.488 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 5.338 15.192 -9.623 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 -0.183 -1.482 -0.085 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 -7.102 -1.605 -0.098 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 7.111 -3.055 0.427 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 -2.902 0.621 3.762 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 -22.201 14.301 6.387 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 6.934 11.097 1.774 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 -1.554 -0.348 1.900 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 3.625 9.058 -24.755 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 -3.655 -3.028 9.385 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 0.550 -6.961 -2.542 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 -3.125 1.113 -14.410 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 11.031 -4.905 8.637 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 -2.141 -2.902 0.673 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 7.737 4.411 -4.529 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 -2.574 0.319 13.329 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 -4.345 4.335 3.243 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 -5.286 2.543 2.780 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 1.822 4.987 -23.589 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 1.959 -0.893 3.975 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 3.452 -0.160 1.596 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 -1.986 -3.342 13.068 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 4.805 1.540 -2.894 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 1.007 -4.299 2.380 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 8.380 2.945 -1.222 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 -1.666 1.935 2.700 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 18.835 -7.708 2.947 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 -3.831 10.391 -14.924 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 -0.861 -3.564 3.786 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 1.577 -5.079 15.619 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 -13.195 18.489 -19.951 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 -0.907 0.488 -5.671 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 3.255 -0.149 -5.645 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 0.343 -6.573 -5.327 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 -4.359 7.885 -0.936 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 3.591 25.519 -8.979 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 -26.920 11.864 5.439 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 -3.453 3.084 -3.473 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 -0.503 8.657 -4.356 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 -1.292 1.130 -1.103 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 5.224 -9.384 -3.049 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 -8.168 -0.909 11.268 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 -17.295 -3.794 -0.479 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 -5.803 -0.020 -0.127 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 0.045 6.179 -6.007 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 -5.508 -7.865 -5.604 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 2.986 -5.368 -0.896 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 10.293 -12.018 12.909 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 -8.718 -14.647 5.653 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 9.568 5.211 0.295 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 2.025 -18.956 -11.243 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 -4.273 17.935 -19.580 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 -1.343 3.897 -4.591 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 -11.143 17.625 12.202 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 10.187 12.963 -12.000 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 4.159 1.852 5.226 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 10.880 10.145 -8.366 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 11.968 0.879 -4.626 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 7.371 3.299 -6.419 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 -13.246 -24.447 -9.020 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 0.261 -12.607 -3.012 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 1.046 -1.469 3.975 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 -9.935 4.105 7.462 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 10.545 6.535 22.920 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 -3.122 5.008 -0.265 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 12.602 3.973 -19.853 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 -15.802 15.433 -6.730 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 3.071 3.267 -3.971 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 16.557 13.422 -30.502 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 -8.625 5.688 3.759 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 1.345 -0.995 -6.583 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 -10.005 8.946 12.128 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 2.971 -0.252 -3.424 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 -1.676 1.291 -5.069 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 -2.227 -1.698 -1.955 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 4.553 -11.469 12.384 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 0.555 3.024 2.560 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 -5.704 -0.747 -31.301 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 -11.192 -5.548 -32.805 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 8.067 -0.245 -0.786 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 0.924 -2.507 8.767 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 7.207 -5.141 2.410 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 -7.116 -6.370 -5.857 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 16.340 -11.681 6.382 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 -9.899 -11.093 -5.670 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 1.698 -2.071 5.671 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 -3.680 5.348 14.252 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 13.510 8.128 -7.183 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 -9.526 1.511 -0.443 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 0.509 -4.886 -5.949 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 -7.983 0.936 -0.884 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 1.251 0.721 -2.160 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 -3.133 0.280 -2.523 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 12.758 -1.124 -0.148 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 0.560 -1.736 -3.748 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 -15.446 -10.192 -1.238 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 9.584 13.491 0.664 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 0.364 1.308 -2.471 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 0.140 0.905 -6.339 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 -8.935 -5.104 -4.164 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 1.885 8.097 -3.839 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 -0.930 -4.780 -6.471 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 2.055 12.581 -2.248 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 -2.719 0.579 4.299 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 -18.951 18.674 5.027 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 -5.427 -23.914 5.069 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 -5.886 3.740 -1.084 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 -10.391 10.375 -1.847 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 -15.132 23.814 -6.172 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 0.149 2.746 -0.696 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 9.127 10.945 3.287 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 13.113 -16.018 14.046 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 -2.136 -2.511 3.335 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 -8.642 4.663 12.021 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 -1.945 -9.915 3.359 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 0.524 -4.275 4.217 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 -2.591 11.558 2.322 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 4.275 -12.223 9.335 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 0.249 -3.240 2.675 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 7.884 0.715 16.626 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 18.916 7.147 -12.910 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 -1.430 2.100 -2.174 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 1.178 28.090 8.513 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 3.238 -17.824 2.816 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 -9.003 2.479 8.374 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 0.416 -10.839 23.774 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 -10.582 14.715 22.060 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 2.276 -1.720 2.892 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 -9.635 5.899 -19.742 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 16.809 1.217 16.279 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 1.252 -0.096 -5.995 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 3.837 14.512 -10.989 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 -12.625 -42.884 11.726 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 1.114 1.145 2.917 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 -6.830 -0.101 6.719 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 1.949 -8.040 -5.086 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 -3.912 -3.877 6.509 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 -4.340 -5.044 -4.126 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 -7.814 7.369 10.754 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 2.297 0.328 4.654 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 5.623 -0.871 4.266 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 13.872 -2.824 -10.709 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 -6.554 0.643 -0.640 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 16.029 -9.468 7.574 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 4.410 4.166 -27.652 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 2.112 7.952 -2.211 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 5.998 12.113 -0.952 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 -10.782 -4.638 -9.787 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 -3.391 2.314 2.411 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 -4.286 9.454 18.422 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 23.549 -2.310 20.164 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 3.280 4.202 0.155 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 -3.563 -3.347 13.369 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 -1.534 0.917 -10.477 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 -2.066 0.292 -3.522 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 -1.945 0.047 -3.363 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 4.051 6.743 16.433 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 -10.535 4.837 0.931 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 -0.635 45.875 18.680 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 -2.241 -4.670 -9.353 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 -1.720 4.295 2.960 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 1.336 -29.143 -9.721 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 -41.733 15.947 34.056 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 -7.012 -0.838 -0.278 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 -36.802 9.394 -27.179 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 -10.350 1.616 2.591 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 -1.805 8.257 7.939 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 11.271 -0.648 -8.043 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 -32.607 13.916 15.747 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 -4.924 3.195 2.345 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 -23.578 2.017 -6.842 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 -2.054 -9.942 -5.614 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 -2.254 4.076 9.327 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 -10.140 16.477 -6.801 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 17.377 -7.632 -0.737 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 0.362 -0.783 -2.834 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 -4.307 10.945 30.533 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 5.265 4.276 -13.652 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 1.793 -3.955 8.568 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 -7.529 -10.073 2.150 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 15.695 -8.774 2.562 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 -0.735 -0.515 -0.514 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 -11.048 23.313 16.356 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 -2.687 -5.647 -17.290 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 -1.580 -0.484 -3.429 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 3.451 6.721 17.558 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 -8.692 -11.361 -11.970 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 1.468 1.007 -2.732 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 7.721 3.858 12.834 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 -8.761 -6.962 -17.446 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 3.559 -2.867 2.399 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 7.081 -6.042 10.737 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 6.385 -8.837 -4.454 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 -3.287 -4.585 -5.203 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 -24.665 -12.098 -14.810 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 -2.837 -1.153 -24.695 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 -3.137 -0.698 -1.154 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 12.803 -5.265 -0.656 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 10.827 -11.099 22.941 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 1.614 -1.412 8.533 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 4.239 -1.931 -1.747 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 0.886 12.985 2.135 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 3.351 -4.181 2.452 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 -0.840 3.802 -24.915 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 15.116 -9.611 12.411 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 -1.495 -2.432 -4.171 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 -2.960 -10.128 -7.406 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 10.815 6.995 -12.311 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 -3.078 1.869 0.417 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 2.730 1.821 0.235 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 -4.896 8.970 -3.326 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 -6.651 -0.303 -6.281 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 -0.846 13.246 -20.652 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 -2.920 5.752 -11.615 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 6.581 4.911 2.187 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 4.864 5.226 0.650 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 9.529 6.794 0.154 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 -3.628 -0.027 -1.979 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 -8.638 21.117 -9.297 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 4.373 -31.026 8.459 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 -3.698 -3.067 2.106 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 6.178 -0.007 -18.607 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 -11.509 -4.249 19.802 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 3.003 3.240 -1.466 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 -18.628 -9.976 -20.538 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 -19.947 10.515 15.091 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 0.966 -9.181 -4.026 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 -4.509 -6.250 -6.500 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 -10.528 3.081 -6.204 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 0.837 -0.693 -1.378 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 5.284 -13.121 -2.594 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 -4.403 25.980 -2.992 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 -2.354 -2.726 3.954 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 0.975 0.654 -16.247 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 -13.741 -17.388 4.582 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 2.454 5.259 2.652 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 0.564 -18.610 1.090 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 -8.437 17.349 -13.498 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 9.315 -1.935 -6.564 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 -5.560 -4.817 -1.416 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 -11.968 -2.092 2.566 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 -0.288 -1.484 4.756 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 6.900 -12.738 18.550 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 13.663 -15.148 6.788 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 1.562 3.805 0.638 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 8.827 10.064 5.656 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 -4.108 -2.284 -2.640 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 -3.949 -0.343 6.052 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 1.987 -4.328 2.205 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 -5.286 -5.607 7.384 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 -0.779 -4.328 4.550 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 7.304 -8.107 18.421 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 -0.832 -18.985 -5.889 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 3.000 6.865 2.241 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 -16.456 -11.905 7.213 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 19.062 17.651 -8.916 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 3.428 3.953 0.683 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 20.851 -22.713 23.220 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 15.110 6.866 -29.841 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 -0.306 5.159 2.466 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 11.340 6.822 -4.529 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 -7.755 5.563 4.906 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 0.940 4.857 0.926 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 -7.303 8.602 15.567 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 4.471 3.154 -6.396 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 4.302 -1.542 -1.918 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 30.970 -0.174 3.359 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 7.175 3.433 -3.513 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 -2.366 -0.455 -5.732 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 -1.599 -14.500 22.323 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 1.053 17.027 1.755 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 -7.309 0.203 -5.665 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 2.664 2.240 -5.373 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 3.923 2.583 0.529 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 1.842 -4.032 5.437 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 -3.868 -13.838 -10.859 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 6.344 -8.083 -4.659 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 1.831 -2.811 -0.290 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 7.932 -6.773 -3.294 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 4.879 -7.023 -2.252 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 8.377 -2.623 -0.353 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 14.370 -3.516 -5.521 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 4.304 -11.236 1.192 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 7.985 6.136 -1.127 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 -10.598 6.743 9.347 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 18.388 -10.241 0.440 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 -5.213 -1.912 -2.097 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 -9.255 0.296 6.712 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 -1.455 1.789 -8.342 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 0.563 -4.661 -4.589 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 -0.194 1.968 15.143 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 -2.447 -0.893 2.484 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 -2.906 -4.290 -2.782 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 -0.487 -8.843 13.052 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 -3.181 -8.345 -2.861 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 1.242 0.998 -3.176 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 6.074 15.832 -20.843 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 9.108 15.262 -25.272 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 4.070 -2.908 -1.830 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 -6.066 -5.916 3.929 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 5.787 7.537 6.552 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 -0.493 0.898 -1.349 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 7.383 2.235 -5.971 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 -7.538 -1.020 -5.513 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 5.434 -9.529 0.116 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 -13.088 -2.934 -5.080 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 8.637 -7.011 3.158 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 5.882 -0.116 3.097 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 1.697 8.728 -4.677 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 13.537 -5.787 9.003 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 -1.416 3.926 3.887 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 -2.191 2.654 0.199 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 -6.116 -2.171 -3.998 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 -0.566 4.634 -0.892 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 -7.293 5.514 -11.939 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 2.620 -37.872 -4.589 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 6.816 1.783 -0.120 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 -7.117 10.760 -10.641 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 12.401 -2.563 -2.872 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 4.052 3.425 -0.137 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 18.160 9.413 13.634 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 11.173 13.145 1.078 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 0.169 -0.064 -0.315 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 11.682 16.109 -11.393 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 10.933 -10.976 1.524 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 3.157 -3.013 1.721 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 -2.805 1.483 1.662 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 17.793 -14.551 2.713 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 -2.102 -5.017 6.663 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 -13.683 -4.741 -7.678 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 10.146 -11.449 -0.325 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 -1.645 3.186 4.468 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 14.448 14.170 -2.972 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 -6.976 -2.898 18.297 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 -3.883 1.338 -1.162 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 -4.870 -7.426 -6.027 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 -6.098 -12.385 -8.880 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 3.260 4.199 -8.086 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 7.575 32.347 -23.339 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 14.747 -3.764 -12.678 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 -0.797 -5.218 3.123 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 -11.687 4.247 2.377 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 8.048 -11.345 7.705 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 5.757 0.781 0.776 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 -3.187 17.262 6.470 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 1.882 -14.347 -2.874 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 2.679 -1.402 -4.002 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 4.165 -18.491 11.698 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 -9.771 -13.514 -21.806 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 0.152 3.306 -0.446 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 -1.598 4.922 -5.141 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 1.721 22.258 -0.839 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 -9.806 -3.119 9.361 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 -23.004 -7.134 -7.987 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 23.231 12.362 0.202 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 2.742 -4.721 -7.720 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 6.398 -13.007 -1.395 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 -28.384 23.577 -0.637 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 7.296 -3.480 1.127 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 10.143 -16.083 -13.864 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 -2.289 5.070 15.788 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 -1.571 -7.441 -5.435 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 -1.767 -7.493 -7.127 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 6.171 -9.349 4.970 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 4.031 -11.279 2.090 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 -2.769 0.466 1.161 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 10.640 -0.480 12.757 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 5.604 0.871 -3.214 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 3.609 -0.976 1.288 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 2.732 -6.240 -4.829 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 -4.108 0.390 3.229 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 -3.228 -25.799 15.133 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 4.662 9.203 -24.556 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 1.012 3.990 8.513 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 -1.268 8.224 15.267 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 20.729 1.857 -11.521 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 0.417 -2.631 -1.736 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 1.488 7.336 -18.605 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 17.197 -5.003 2.333 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 7.661 0.232 -1.791 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 2.055 4.108 4.530 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 13.149 -3.110 4.100 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 1.865 -1.517 -1.006 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 -27.169 -12.742 6.193 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 10.878 -7.056 1.348 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 -7.931 -3.437 2.310 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 -6.335 2.449 7.556 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 14.025 -20.825 19.866 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 2.175 2.078 -2.314 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 -0.030 -19.705 13.647 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 4.396 2.126 -0.557 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 3.060 0.841 2.876 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 7.480 8.527 -0.322 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 8.359 -0.047 2.764 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 3.281 -5.466 -2.657 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 15.225 0.401 -14.858 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 2.265 -3.271 -6.807 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 2.748 2.803 3.343 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 -19.092 -3.955 -16.670 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 -8.294 -3.158 -8.220 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 -0.506 3.107 -0.943 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 2.075 15.841 8.705 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 9.422 7.983 -2.534 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 2.354 -1.309 -1.379 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 19.319 9.218 -1.480 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 10.071 3.967 1.034 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 -2.038 0.432 8.123 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 -1.393 -2.859 -2.348 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 2.250 0.747 3.144 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 -0.372 6.648 2.926 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 7.238 -6.555 -9.834 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 3.183 -0.503 -0.868 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 4.720 -14.556 3.984 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 -9.157 17.536 -25.010 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 20.781 12.918 13.349 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 -2.408 -2.708 -1.075 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 11.391 2.054 5.399 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 -2.349 -4.408 -1.307 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 0.845 -5.393 3.496 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 -14.471 -24.654 -0.168 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 -10.365 11.383 18.857 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 3.611 2.614 2.879 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 3.740 0.457 7.294 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 4.602 -1.664 1.170 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 0.984 4.077 1.480 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 3.825 11.481 3.835 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 -14.168 -9.918 3.283 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 5.464 3.500 -0.335 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 -2.440 5.792 6.044 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 8.366 -3.250 10.153 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 -4.176 4.466 -2.413 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 -7.469 -11.814 -16.568 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 -15.751 18.123 -16.715 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 -2.485 -3.125 3.047 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 1.141 3.340 21.055 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 5.498 -2.575 6.229 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 -4.126 -2.203 -3.528 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 0.578 -8.083 -15.909 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 -5.594 -4.778 -1.772 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 -4.774 -6.858 3.965 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 -2.684 0.685 20.595 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 -7.002 -12.650 -7.757 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 -1.203 -3.061 2.446 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 26.433 -32.974 -9.749 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 -14.161 8.623 15.915 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 -3.557 -3.616 2.342 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 -9.636 -2.663 4.007 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 -5.941 -0.767 -4.270 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 9.171 5.090 2.497 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 4.325 13.417 -25.255 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 -14.379 14.585 15.697 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 -0.319 -6.076 0.118 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 6.046 -16.221 -5.449 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 -3.700 9.534 -1.834 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 1.809 -4.315 3.670 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 15.634 -17.623 14.433 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 -8.819 -19.452 -3.554 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 -4.601 4.134 -0.224 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 11.889 -4.482 5.662 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 14.649 -7.306 -5.572 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 -2.784 1.911 7.449 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 15.144 23.139 1.063 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 -13.017 -12.689 -2.000 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 -1.611 -0.191 -1.560 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 12.064 5.959 -9.716 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 -0.244 2.838 -9.646 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 -1.568 -5.480 -5.635 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 -0.439 -15.225 -3.278 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 -4.532 20.528 -12.543 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 6.048 1.857 -1.845 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 7.954 0.808 0.887 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 10.700 1.280 3.641 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 7.227 4.175 -4.673 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 3.768 -2.191 -6.860 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 12.418 0.675 -19.952 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 -4.417 -3.809 9.394 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 -4.632 -5.641 11.704 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 0.484 18.833 7.238 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 -7.796 -4.972 5.033 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 17.329 10.985 1.989 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 -5.711 -26.807 -16.311 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 0.596 3.215 4.830 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 24.153 12.686 -1.398 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 -40.835 -0.731 15.836 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 -2.803 -1.514 2.626 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 14.630 -20.185 -22.771 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 -11.184 -0.341 -0.063 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 4.707 -0.882 0.805 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 -2.379 -1.235 -4.860 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 7.384 0.145 12.740 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 8.353 -2.071 -4.405 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 1.242 -6.952 4.700 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 3.509 -11.119 -17.676 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 1.680 0.839 2.303 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 16.105 24.584 -8.161 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 1.718 6.287 15.346 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 0.601 4.640 -1.012 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 9.553 -11.237 16.799 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 -22.711 -8.336 -3.803 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 1.084 -2.812 -2.763 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 4.927 -4.668 0.435 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 19.789 -7.499 -0.934 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 1.965 5.598 -3.109 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 11.267 8.695 12.792 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 1.883 3.167 -8.265 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 -1.880 0.903 4.607 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 -1.466 0.781 0.473 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 -11.137 0.195 10.293 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 -2.503 -1.928 -1.593 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 5.726 -4.328 10.050 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 12.158 -7.858 -12.045 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 4.472 2.117 -3.565 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 8.984 0.528 -5.061 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 3.224 -0.027 -8.099 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 2.884 -2.530 8.280 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 -11.513 20.294 3.819 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 7.032 -9.206 8.574 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 -6.488 -1.476 -2.722 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 -20.529 6.552 13.577 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 -10.928 -23.681 -1.709 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 0.329 1.342 2.245 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 0.678 -20.332 -8.783 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 -17.936 -6.311 -11.678 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 -2.592 6.473 2.852 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 3.165 8.607 21.698 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 5.922 3.644 -3.138 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 -2.272 -2.915 1.267 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 8.228 -10.232 -4.599 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 -11.628 0.757 -9.567 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 -0.370 2.585 -1.487 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 12.798 -0.093 -9.249 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 2.713 18.111 -16.364 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 2.866 2.128 -6.300 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 -0.433 12.179 -13.723 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 5.585 6.005 9.164 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 -2.636 -0.206 3.782 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 10.716 10.299 4.338 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 -0.607 -9.978 5.994 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 -1.484 -1.397 1.333 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 -2.883 -7.105 6.713 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 -3.944 -12.540 13.032 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 1.507 -1.415 1.418 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 2.208 -4.431 5.186 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 17.459 -6.029 19.540 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 6.881 5.737 0.063 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 31.557 10.160 5.889 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 13.829 7.867 -0.809 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 2.280 2.094 1.037 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 16.233 13.483 9.985 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 1.657 3.416 8.194 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 4.026 2.162 0.780 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 1.876 2.826 2.779 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 5.839 -2.946 1.588 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 -7.725 5.183 -8.776 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 -0.345 23.302 12.347 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 -6.459 12.048 -0.807 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 0.123 -3.741 -1.137 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 15.455 -1.130 -15.044 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 -5.970 -6.127 8.256 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 -4.266 -4.299 -2.108 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 -4.953 -5.129 -3.392 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 -11.218 8.749 10.642 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 -1.156 -3.461 5.198 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 -9.659 17.842 16.079 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 -19.528 -5.391 -12.898 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 -3.082 3.695 2.452 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 -12.313 13.120 -4.807 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 4.107 -9.333 8.607 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 -4.077 -3.029 3.399 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 -6.368 -31.012 8.341 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 -2.878 -6.729 2.174 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 3.112 -6.250 6.296 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 3.008 -22.696 10.990 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 -7.335 2.986 -7.814 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 -10.478 3.490 2.768 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 -16.907 -5.418 -3.149 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 15.959 -2.956 2.603 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 0.040 -0.249 3.368 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 2.577 -5.997 -8.944 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 -1.208 -8.369 8.901 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 -6.878 -1.333 -0.480 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 -25.203 2.687 -7.402 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 5.584 -32.407 5.156 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 -4.120 -2.547 -2.875 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 -10.859 2.320 -2.947 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 -4.910 -5.846 -2.966 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 5.127 -2.823 -4.646 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 5.371 5.254 -5.362 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 7.514 -14.920 -1.445 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 1.813 -3.877 10.659 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 1.948 -9.063 8.804 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 1.846 11.269 16.144 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 -0.154 -2.756 3.314 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 24.261 0.586 23.569 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 4.035 3.158 4.097 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 -6.602 1.797 -3.119 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 3.579 8.457 -8.579 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 -9.738 4.446 3.660 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 -6.553 6.122 1.213 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 -6.704 6.296 -1.048 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 -0.327 -1.623 -3.411 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 5.149 -5.221 0.030 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 -1.792 -8.068 -13.741 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 4.471 0.214 14.204 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 -1.913 8.606 3.507 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 2.486 2.901 10.533 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 -8.107 14.608 0.029 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 5.554 0.505 -5.556 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 5.179 3.556 -12.682 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 -1.176 -2.319 -3.498 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 -1.698 -3.877 -3.450 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 12.095 -7.678 -2.886 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 -17.799 4.439 13.591 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 -2.017 1.705 0.527 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 0.920 -2.785 5.384 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 -9.479 12.921 -7.343 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 -1.057 -2.611 0.738 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 8.090 15.694 -9.970 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 2.463 2.422 -3.478 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 1.590 -3.621 4.667 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 -4.944 -8.606 18.248 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 13.720 -0.193 11.041 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 3.914 -1.266 -10.043 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 13.733 -1.436 5.208 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 -18.125 -10.384 -2.230 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 -0.698 3.725 3.225 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 -16.220 1.460 -0.407 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 -22.840 -28.893 -5.580 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 -3.824 0.244 1.516 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 4.089 2.877 -4.928 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 -4.594 -1.906 -8.468 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 3.386 1.229 3.386 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 3.669 -9.333 -0.398 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 10.275 -4.054 -4.737 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 -6.705 2.403 -8.500 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 15.374 -9.936 -21.707 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 0.067 2.441 -10.481 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 6.038 -1.227 0.786 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 -11.854 8.996 8.788 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 6.973 -22.171 5.702 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 3.810 2.036 -4.576 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 5.715 12.461 -11.664 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 2.194 1.264 -6.711 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 0.022 9.845 1.855 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 -30.894 5.925 19.729 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 10.237 14.792 -20.582 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 -2.547 -0.640 5.608 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 -14.655 -16.025 15.266 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 0.615 -4.657 -18.438 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 3.574 1.879 -0.027 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 -4.831 3.327 -15.824 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 17.634 -6.729 1.540 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 -2.563 -1.354 4.055 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 6.466 -1.572 -15.613 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 7.807 6.828 0.184 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 5.037 4.051 1.573 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 -1.917 -0.514 3.040 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 10.998 9.646 -10.415 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 4.520 -1.690 -1.447 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 -2.192 17.552 -2.841 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 5.955 -1.359 16.168 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 3.564 7.352 0.387 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 14.078 25.728 -1.251 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 3.066 5.491 -1.791 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 -3.622 0.421 -1.507 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 9.746 -5.448 14.321 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 -10.203 -5.589 3.841 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 3.827 6.877 4.142 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 2.449 11.337 15.582 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 3.996 3.492 -8.999 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 -3.396 -7.883 -1.007 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 -4.617 1.102 6.382 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 -1.016 -15.712 6.669 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 -2.559 -3.020 9.916 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 -15.832 -4.826 4.726 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 -28.385 -8.468 -8.282 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 -1.030 3.667 7.100 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 -15.400 -5.733 14.003 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 17.173 15.599 -3.304 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 1.463 -4.028 -7.890 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 3.085 2.637 -9.750 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 2.142 -3.157 -8.811 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 7.324 0.434 0.343 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 11.731 7.836 -7.422 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 10.649 2.148 -6.291 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 -1.760 -6.521 -0.732 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 -9.315 -12.416 13.526 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 8.649 -18.316 2.549 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 3.897 0.060 2.659 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 3.615 14.765 -2.350 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 12.118 0.133 10.508 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 3.237 2.930 0.189 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 1.750 15.268 5.031 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 15.648 1.829 -1.567 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 -2.630 5.210 -0.085 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 -1.849 5.773 3.175 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 -4.651 3.401 -0.462 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 0.013 -7.511 2.008 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 -2.422 -8.969 7.862 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 -2.273 -17.625 -0.890 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 6.046 -4.011 -6.368 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 9.806 -20.245 12.242 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 7.992 -11.629 2.462 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 5.047 -6.394 2.331 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 -0.307 -9.237 12.559 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 -1.279 -5.473 21.658 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 -7.066 1.159 -3.921 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 -12.734 22.106 -14.755 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 -12.456 4.672 -7.954 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 -1.971 -2.704 -5.936 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 4.595 7.940 -12.230 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 12.710 25.661 -18.231 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 0.530 -4.038 -9.221 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 -0.240 -20.049 -7.815 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 10.179 1.235 -4.607 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 -7.046 -4.833 -1.055 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 5.793 7.047 -6.464 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 -6.068 -8.347 -19.215 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 -1.315 8.321 6.847 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 -0.652 8.342 8.332 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 36.824 24.804 10.573 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 -1.579 0.473 4.954 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 11.927 -4.201 -16.659 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 -5.458 4.485 -10.250 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 -2.731 -1.493 1.714 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 -0.985 -1.562 4.014 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 -2.203 -0.412 3.439 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 1.901 0.207 -1.485 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 1.103 -25.039 -17.250 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 -7.068 1.269 -2.388 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 -4.884 1.541 -2.123 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 -10.095 19.313 -17.122 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 -0.859 21.728 16.419 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 -10.036 3.467 4.135 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 -27.518 7.043 -4.641 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 -3.765 14.766 -5.686 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 7.236 -1.169 0.141 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 -13.296 -1.147 -12.976 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 5.095 1.896 4.971 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 1.413 -0.801 1.559 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 1.140 3.926 -14.184 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 8.593 -1.859 32.916 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 -3.934 4.800 3.318 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 -1.046 11.687 -0.724 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 8.729 13.409 14.291 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 -1.204 2.794 0.938 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 -6.622 -15.849 17.659 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 4.880 11.638 -34.614 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 2.413 -2.838 5.010 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 -6.823 -17.709 1.399 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 21.394 -6.845 14.616 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 1.085 -1.438 0.982 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 -19.732 -3.363 -8.896 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 -15.084 5.444 8.856 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 0.349 3.975 2.844 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 -9.929 -11.778 -4.700 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 11.263 19.987 10.574 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 -7.054 0.642 2.754 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 3.500 8.760 12.362 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 -13.972 2.526 23.758 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 4.221 -3.914 10.992 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 9.286 9.263 -7.314 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 12.542 -25.986 -1.262 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 -6.621 -2.717 2.036 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 15.992 9.507 -0.472 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 17.422 29.183 -20.405 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 -1.139 0.557 5.151 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 -8.877 15.302 27.368 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 7.406 -1.780 -0.965 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 3.005 -0.794 -1.187 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 14.317 -11.100 -4.080 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 6.333 13.519 -35.022 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 3.944 0.919 0.976 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 -4.371 3.290 -2.666 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 4.002 -7.493 2.182 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 5.127 -4.417 4.805 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 2.814 -2.961 4.950 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 2.437 16.531 14.819 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 1.986 -2.554 0.935 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 3.071 -5.739 -22.318 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 2.370 -20.231 6.293 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 -0.976 -0.537 -6.553 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 0.663 3.463 0.264 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 -3.881 2.758 4.631 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 3.116 0.004 -1.485 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 0.045 9.746 3.676 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 -5.489 -8.112 17.130 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 -1.426 2.076 0.301 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 3.860 6.917 1.726 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 -18.993 0.804 10.937 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 0.581 -0.920 -0.325 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 4.725 -11.023 21.029 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 -17.370 -33.494 19.879 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 3.921 1.628 -7.710 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 -0.452 15.933 1.061 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 1.534 -3.392 -3.907 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 3.342 -0.561 -1.812 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 7.705 -18.905 5.660 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 3.225 13.667 12.115 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 -0.081 2.369 -0.775 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 -3.392 -4.305 2.673 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 26.860 -9.263 -23.134 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 -0.903 2.912 2.006 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 -5.771 0.639 -8.651 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 -6.354 -1.512 -15.665 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 7.173 3.232 4.878 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 12.701 2.739 4.011 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 10.133 -6.521 -15.969 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 2.509 -0.688 -6.782 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 -6.031 5.212 5.575 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 5.310 -3.122 -15.417 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 -4.725 2.651 -2.303 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 6.508 0.671 5.506 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 -15.175 9.345 0.744 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 8.680 0.116 1.419 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 -3.233 -2.226 -38.452 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 11.090 0.661 -0.835 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 5.763 -2.679 2.577 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 3.156 -5.771 5.396 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 -7.539 -7.892 15.918 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 -6.220 2.524 2.615 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 -14.670 -10.893 -2.381 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 -9.236 18.159 16.137 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 1.493 4.837 -2.218 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 -0.027 6.778 -5.659 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 -10.274 -13.109 -9.377 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 -5.980 -0.298 -2.333 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 -0.704 -5.289 25.891 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 -14.150 -0.671 -16.581 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 -4.691 2.799 0.423 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 -5.998 -12.357 -6.634 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 -3.282 22.993 8.939 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 3.052 4.611 1.117 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 4.164 5.519 -1.940 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 -7.088 -2.043 5.252 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 2.815 4.117 -0.587 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 4.010 -11.756 -12.984 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 -13.487 -3.621 16.156 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 -4.067 -3.698 2.911 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 -1.098 9.548 10.488 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 -3.610 -9.622 1.322 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 1.125 1.049 -6.550 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 4.422 2.543 -15.184 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 -12.824 -3.258 2.580 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 1.650 0.948 -3.143 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 -0.385 17.158 3.473 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 8.830 -13.500 0.980 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 5.306 1.768 5.796 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 5.858 7.512 -0.710 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 13.789 -12.032 14.350 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 -5.244 -4.236 0.737 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 0.658 -3.534 -4.437 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 -9.996 -14.654 4.757 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 -0.663 0.535 -0.793 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 -4.431 -2.093 5.764 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 3.382 4.090 -11.028 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 1.003 1.548 -6.873 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 -9.730 21.384 -9.017 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 -1.319 -0.377 -5.281 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 2.764 -2.883 0.664 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 -0.894 5.535 -12.959 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 13.605 2.460 1.703 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 -2.129 -1.195 3.237 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 -24.966 -3.225 27.082 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 15.760 -3.884 -16.983 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 -4.645 -0.801 1.442 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 -9.670 10.658 7.539 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 5.705 -24.721 -11.538 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 -5.183 5.848 -1.699 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 13.432 -3.459 -6.288 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 -5.305 14.819 17.263 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 0.714 -6.506 2.009 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 0.798 2.900 0.532 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 7.557 -6.822 9.465 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 -1.955 3.583 0.212 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 0.343 11.978 -4.488 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 -29.374 2.589 -25.165 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 5.552 1.022 -9.731 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 1.825 14.089 10.945 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 20.796 14.917 -36.484 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 0.532 -9.698 -1.515 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 -0.936 -9.962 -2.628 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 0.806 -6.396 0.046 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 4.563 3.065 8.423 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 1.059 5.307 2.244 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 -18.105 4.022 3.543 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 -1.545 3.011 -3.460 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 -3.958 -9.082 -11.894 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 -19.428 -4.349 -4.708 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 5.605 -8.574 6.187 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 7.117 -9.857 7.859 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 9.991 -5.479 7.923 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 0.338 -1.760 -4.097 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 30.296 -2.411 -5.973 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 34.524 6.413 3.374 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 5.160 6.858 5.287 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 14.808 12.153 -7.388 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 6.629 0.765 6.277 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 1.635 1.603 3.106 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 11.974 -6.382 -5.863 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 -8.291 4.452 12.749 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 -4.266 1.024 -2.271 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 2.288 -6.705 -8.805 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 -6.501 35.781 14.486 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 -0.488 3.327 -4.068 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 5.897 -5.229 -11.511 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 9.985 -6.369 -12.951 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 -10.209 7.420 1.828 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 -20.203 1.962 -16.259 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 6.358 5.715 -7.302 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 4.812 -1.686 -4.746 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 4.922 9.871 -21.824 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 16.727 2.374 2.509 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 1.903 3.360 2.440 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 -8.532 -0.314 -2.742 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 5.353 -8.987 11.327 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 1.726 3.615 2.944 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 18.875 5.411 -7.919 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 10.858 1.504 19.954 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 -0.294 2.159 1.184 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 13.172 -16.462 10.081 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 18.099 19.666 -2.945 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 5.475 2.676 -1.385 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 -14.116 7.965 22.662 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 29.001 -8.905 5.333 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 5.355 1.228 -0.855 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 -11.020 6.148 -10.335 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 -2.717 3.950 -5.503 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 -4.506 1.953 0.856 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 6.833 -7.108 7.884 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 -7.543 19.890 -15.822 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 -2.348 0.180 -0.356 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 11.922 -16.080 3.108 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 0.349 16.073 9.810 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 0.275 -3.705 -0.024 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 -8.764 17.789 -5.628 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 -27.622 5.060 1.094 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 2.981 -6.502 -0.154 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 -1.564 -7.808 26.459 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 1.446 9.237 -5.401 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 1.406 -1.256 -0.985 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 5.988 -13.214 5.029 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 -6.650 13.928 1.645 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 -2.310 1.623 1.893 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 5.833 3.555 18.217 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 4.130 1.940 19.233 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 9.488 3.030 2.030 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 16.751 10.613 1.492 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 11.633 4.957 5.890 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 3.770 1.335 0.642 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 4.840 0.655 -0.671 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 11.943 -1.965 -0.100 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 0.472 0.633 1.256 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 8.004 25.779 9.087 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 -20.470 1.685 -8.835 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 -2.309 -1.121 1.940 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 18.372 -12.440 4.357 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 7.757 21.108 -3.979 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 0.961 -0.409 3.234 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 -0.556 8.104 -5.913 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 -6.501 -14.885 -11.905 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 -4.486 -4.155 -3.938 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 -3.095 3.807 -7.469 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 -6.020 23.554 13.809 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 1.402 0.435 1.741 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 -15.373 7.271 29.009 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 -6.163 18.629 -29.682 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 -0.432 1.939 -0.838 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 -6.392 -30.800 22.486 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 -9.419 -14.716 25.649 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 2.762 5.438 3.334 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 13.978 -3.641 -1.385 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 -1.915 -1.350 -8.316 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 -0.143 1.649 -2.970 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 1.592 4.115 5.866 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 1.009 -0.195 -0.368 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 -2.165 -3.770 4.516 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 1.753 8.266 -2.507 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 4.850 11.831 13.547 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 -3.028 0.625 -3.591 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 21.084 1.657 -0.563 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 -7.592 11.071 13.970 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 0.151 1.542 -3.304 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 -10.071 -6.281 7.106 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 2.197 -7.688 -3.856 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 -0.251 3.294 8.060 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 -16.609 -3.629 19.320 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 -3.279 2.179 10.920 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 2.110 2.462 -6.281 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 9.956 -15.185 -1.234 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 2.200 12.910 11.449 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 0.011 5.729 3.010 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 -3.336 2.415 2.763 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 -2.153 9.080 4.365 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 -4.953 4.991 4.974 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 5.311 7.947 18.141 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 -18.359 5.931 -17.713 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 1.366 2.309 0.420 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 -21.922 -2.667 3.361 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 -2.800 21.936 -11.843 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 -3.002 -0.088 -1.994 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 -5.818 -7.406 -11.535 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 10.754 8.352 -3.239 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 -3.938 1.366 -0.096 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 9.755 18.353 -14.419 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 -11.103 -8.995 8.330 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 2.323 -0.732 -3.522 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 -6.164 -17.419 24.827 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 -4.630 -15.901 -2.045 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 1.439 1.034 -8.776 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 -5.907 -6.518 -25.201 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 -6.328 -1.258 6.364 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 -1.376 1.587 -0.672 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 22.370 -29.355 6.367 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 19.619 2.997 -0.832 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 0.401 1.451 -0.603 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 4.589 4.595 -1.459 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 -0.640 -3.518 3.305 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 2.473 -3.738 1.166 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 -15.170 -7.633 -4.216 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 -15.089 -9.812 -4.363 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 -1.516 -5.825 6.419 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 -5.352 -21.934 11.621 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 13.502 19.162 -14.282 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 1.213 3.918 9.513 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 27.301 -7.123 -11.114 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 9.920 9.322 6.133 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 -3.470 -1.811 2.480 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 24.108 3.884 9.199 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 -24.026 -8.983 -0.582 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 2.852 -0.640 -0.985 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 -9.056 6.229 -0.582 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 -6.036 -27.954 -9.034 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 0.793 1.455 2.015 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 -1.305 14.909 -17.743 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 -9.680 10.564 5.803 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 -3.352 -5.145 -1.269 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 -14.413 -12.284 13.927 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 -6.807 6.351 4.563 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 -7.504 9.262 -6.836 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 10.426 28.496 -5.673 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 -5.647 6.342 -13.634 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 -5.170 1.541 1.898 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 0.013 10.991 7.262 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 -1.148 -10.913 4.758 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 -7.662 6.402 -1.742 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 -20.855 -3.111 8.732 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 -5.510 7.542 -2.781 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 2.820 4.920 -0.644 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 -5.500 8.031 -1.062 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 0.471 7.967 -1.643 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 0.529 -2.200 3.473 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 3.919 11.872 -0.600 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 2.376 4.605 -0.558 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 -2.848 -4.809 -4.200 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 -8.354 17.660 -5.037 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 11.979 -4.172 -19.684 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 -0.716 2.350 1.902 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 -5.205 -0.716 8.719 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 16.670 -0.672 12.141 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 4.253 -1.884 -4.538 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 -5.079 1.776 -10.807 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 -19.016 1.447 -32.353 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 2.513 8.857 -1.958 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 -2.758 10.263 -13.872 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 2.572 6.174 2.384 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 1.440 -3.220 -2.551 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 -10.867 1.218 -4.811 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 -10.056 -22.124 0.601 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 -1.816 3.891 -5.186 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 13.103 8.505 -19.783 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 -11.689 8.341 2.531 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 2.056 -5.253 7.355 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 -0.189 -28.582 17.746 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 -14.068 -6.450 -6.770 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 -3.154 -4.013 -2.403 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 -7.601 -12.848 22.408 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 -4.931 -10.353 7.513 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 -0.281 -0.481 1.210 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 -11.517 1.463 -1.613 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 23.230 -5.562 -9.805 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 -7.114 1.004 -4.205 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 0.291 15.108 -11.269 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 2.345 13.586 -29.836 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 8.638 -0.361 0.128 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 11.698 7.979 10.690 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 -14.484 3.844 9.872 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 6.796 -1.109 -0.010 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 14.370 1.707 -11.086 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 10.366 -9.502 7.787 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 -8.319 1.960 -2.910 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 -18.648 19.127 -9.719 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 -9.913 4.953 0.905 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 -1.824 -0.690 0.341 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 -1.984 12.767 -3.350 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 -8.986 -15.782 7.906 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 1.731 -2.118 0.392 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 -0.329 1.696 -3.668 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 -0.365 5.673 -9.259 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 2.322 1.532 5.550 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 -7.738 8.646 -6.133 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 -3.702 18.858 -25.112 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 0.814 -3.471 -5.318 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 -0.348 3.284 -2.246 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 -5.532 -13.781 -7.030 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 5.186 3.771 1.466 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 1.335 0.753 -1.824 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 -2.508 2.098 8.189 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 5.097 -4.166 7.757 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 -18.747 -22.421 22.654 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 25.971 -6.547 -5.877 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 0.720 -2.642 -3.776 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 0.511 -7.494 -9.729 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 -5.818 -9.191 -3.102 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 5.281 2.398 -1.011 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 17.850 17.486 -19.973 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 7.394 0.615 15.409 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 -5.589 5.501 0.514 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 17.852 3.227 -6.372 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 -27.272 -19.742 15.287 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 0.719 -2.700 -1.558 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 3.881 5.025 -3.921 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 -2.175 -0.992 4.224 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 -5.819 4.452 -0.331 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 -5.718 7.500 -5.417 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 -8.643 2.598 7.301 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 10.073 -4.022 -6.093 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 4.382 -13.360 2.113 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 11.929 -0.975 -8.398 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 -0.408 -0.142 2.492 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 -2.879 -7.924 2.483 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 -9.003 -1.852 5.013 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 -3.976 13.545 1.177 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 9.223 14.256 3.918 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 -1.803 13.233 -2.501 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 -3.821 -1.221 -0.844 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 -8.268 -8.144 -2.216 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 -3.735 0.091 1.335 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 -3.712 2.466 2.040 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 -3.713 4.438 10.466 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 -5.967 5.985 1.307 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 0.633 2.078 -0.299 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 0.359 -10.132 -0.456 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 -16.924 7.890 4.121 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 -2.007 5.832 3.792 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 -4.112 4.743 1.414 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 -0.870 1.901 -8.802 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 -6.182 -6.306 -0.292 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 -0.492 -11.127 -4.708 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 -20.402 4.687 9.606 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 -6.640 -3.102 -4.004 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 -1.435 -7.271 -1.444 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 2.928 -0.296 -1.877 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 0.491 1.913 3.184 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 -3.711 3.482 6.912 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 -0.461 6.561 -0.765 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 3.153 -0.077 11.466 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 5.965 0.710 5.836 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 0.806 -0.793 12.799 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 -0.578 2.051 1.853 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 -3.453 -1.341 13.095 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 -4.475 0.591 17.862 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 -1.077 4.490 1.906 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 -22.082 11.696 2.266 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 -9.864 0.348 -5.154 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 -1.305 -5.562 3.632 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 8.906 1.559 -4.468 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 -8.293 -6.282 3.867 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 1.158 -2.930 0.569 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 14.901 -4.576 14.185 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 -4.760 -17.156 -5.406 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 -3.163 2.387 7.584 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 2.130 -3.369 -0.908 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 -2.146 -0.982 5.990 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 2.421 -1.333 -3.025 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 18.010 -2.404 -19.125 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 26.318 3.975 -17.013 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 -1.482 -0.713 7.047 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 -3.045 12.551 -10.438 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 -18.392 -15.585 5.011 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 -2.701 7.586 6.998 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 11.045 11.930 -4.944 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 0.085 6.983 4.739 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 0.062 -3.409 5.683 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 1.047 -18.570 16.546 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 -16.636 -3.163 22.620 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 1.085 -3.792 -0.209 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 5.891 0.080 8.379 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 -1.616 -6.148 -4.286 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 0.718 4.003 2.777 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 31.183 25.392 -2.560 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 8.325 2.275 0.002 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 6.479 -2.980 0.884 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 3.588 -4.471 -1.971 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 5.220 -0.472 3.829 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 0.722 0.856 -5.017 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 -0.009 -1.686 -3.260 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 1.003 3.786 -3.891 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 -2.234 0.470 -5.019 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 -38.399 -13.319 -7.950 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 9.816 -3.084 -9.080 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 11.097 3.952 -4.472 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 19.303 -9.564 -6.525 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 -6.803 2.749 -5.478 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 -7.461 -1.218 3.602 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 8.970 -14.524 10.193 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 -10.742 -3.526 7.746 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 4.029 -1.697 8.243 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 5.742 32.464 -15.804 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 3.593 10.422 -4.662 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 2.907 -0.296 5.297 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 -3.955 -6.401 7.425 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 10.799 5.702 8.991 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 5.658 3.654 0.615 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 -14.022 -6.710 -16.143 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 4.536 32.885 27.528 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 0.116 -7.420 5.073 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 1.672 -3.251 15.459 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 -9.799 -2.896 -2.313 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 -2.504 4.690 5.829 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 9.686 -0.600 15.300 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 -9.929 4.268 12.437 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 -2.527 3.814 -6.279 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 2.546 7.690 -28.780 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 6.342 -10.731 4.203 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 -0.692 8.138 9.035 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 24.602 14.646 14.615 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 1.042 9.933 5.022 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 2.837 -3.274 -0.077 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 2.156 7.985 -7.245 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 8.782 19.953 0.860 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 2.322 -9.280 1.749 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 2.395 -9.128 2.818 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 2.062 -8.191 8.657 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 -8.095 2.967 -3.795 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 -7.367 5.643 -6.531 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 -8.519 9.400 -7.419 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 4.542 3.934 -1.657 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 2.452 20.109 2.234 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 4.959 4.456 -1.339 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 -2.365 10.835 -1.382 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 3.529 0.653 -11.683 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 5.852 15.787 -13.349 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 5.239 -4.399 -1.779 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 3.031 -1.362 21.987 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 -5.836 6.386 2.515 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 -0.001 0.355 1.827 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 3.464 -13.896 17.523 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 -12.085 3.134 1.822 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 -0.639 0.431 -0.248 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 29.818 8.730 2.309 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 -31.405 32.363 -1.362 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 2.174 4.845 -0.952 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 -6.330 1.363 9.456 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 -1.880 -6.331 -1.802 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 3.711 1.060 -0.942 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 12.543 0.126 -20.902 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 12.187 10.283 1.981 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 -4.757 6.233 -3.737 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 -15.565 8.362 -5.500 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 7.400 17.128 3.622 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 0.274 -2.715 5.531 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 -2.074 4.008 9.849 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 -6.335 -5.888 -0.619 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 -0.236 5.249 7.860 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 2.669 12.876 7.073 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 -7.630 6.684 9.186 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 1.303 -0.838 -3.330 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 -8.529 14.793 -2.494 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 -5.558 -10.736 2.698 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 -1.378 3.784 3.880 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 29.172 -9.823 -3.102 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 1.215 -0.464 14.665 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 -0.227 0.892 -0.534 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 -11.304 17.175 -12.438 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 -12.964 9.349 -6.512 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 3.457 3.479 4.955 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 0.528 3.346 -1.593 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 9.986 2.094 3.206 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 -2.299 -3.343 -1.914 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 -1.301 -13.626 -4.839 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 1.921 -18.978 -1.022 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 -0.711 0.283 5.103 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 13.561 -11.074 -28.614 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 -11.206 16.881 4.860 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 4.046 6.105 2.654 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 12.591 5.595 -5.072 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 -5.243 5.175 -2.894 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 -3.744 0.596 -1.939 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 -8.500 3.241 -4.539 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 -23.260 4.204 -9.592 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 -0.956 -2.290 -1.361 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 21.040 -18.209 23.336 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 -3.702 0.792 -6.558 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 -4.252 0.061 -0.117 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 -9.538 -3.695 0.701 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 13.692 25.697 0.211 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 -0.599 2.802 -3.267 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 -12.184 2.203 -6.543 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 -7.212 2.728 2.303 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 -0.764 -2.137 -5.271 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 11.330 -22.513 -6.633 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 8.675 -16.952 -2.281 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 9.253 -0.183 -4.906 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 -3.217 4.303 -14.462 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 22.787 -11.382 4.871 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 -3.163 0.151 -3.518 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 8.128 0.524 -9.390 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 -0.186 -2.021 -4.951 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 -5.257 5.207 -2.810 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 -4.659 7.137 3.801 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 -0.092 7.091 -5.900 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 4.394 0.247 -3.374 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 12.530 -1.286 -8.878 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 -13.596 3.844 13.789 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 2.099 -0.860 4.159 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 2.271 -19.305 2.753 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 3.131 -5.396 10.300 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 -6.213 1.052 3.399 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 12.814 17.303 4.221 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 -2.617 -17.405 -13.865 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 7.794 0.536 3.213 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 -4.476 -2.277 -6.656 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 -5.870 -14.000 -1.092 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 -1.964 6.165 -6.668 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 5.712 -1.038 -17.068 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 0.301 21.326 -12.787 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 -1.143 6.659 -4.594 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 -15.307 -5.901 8.126 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 28.116 -4.922 -1.618 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 -3.370 2.433 -0.259 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 2.428 1.579 2.223 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 -0.797 2.218 1.488 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 1.273 0.454 -1.101 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 -7.061 7.084 3.187 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 7.574 -8.950 -9.725 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 -0.961 -4.538 -0.979 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 -19.272 -7.319 8.425 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 -6.783 8.190 18.134 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 -3.046 3.137 -2.013 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 -11.338 -6.659 -7.744 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 -6.373 10.240 -2.234 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 5.318 6.549 -4.242 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 13.283 9.513 -4.671 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 -2.983 0.188 -16.696 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 -6.000 1.797 0.561 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 6.526 -5.738 -1.308 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 -2.390 3.999 3.867 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 0.737 2.250 -5.290 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 7.512 0.169 3.281 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 -0.129 5.829 -11.292 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 5.016 -7.937 0.509 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 23.025 13.819 -3.508 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 7.679 -20.927 -18.843 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 13.052 2.353 -0.765 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 -2.013 11.860 10.888 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 -5.273 -1.521 -9.512 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -0.239 0.798 5.478 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 -3.110 2.821 3.324 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 3.130 0.459 7.924 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 -4.339 -7.732 -1.704 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 6.621 -24.970 -11.723 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 -7.719 21.701 -1.055 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 0.265 -2.735 -4.195 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 6.535 -7.290 -19.769 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 -7.474 -8.354 8.625 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 -0.697 3.316 -4.488 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 13.210 4.475 19.168 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 -13.782 2.021 9.376 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 0.811 6.618 -6.934 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 24.655 16.279 0.366 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 -36.364 9.223 -0.745 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 -6.100 -1.993 4.975 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 27.313 -4.463 19.385 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 5.826 -16.176 -16.673 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 -3.893 -4.006 -4.849 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 -2.549 -2.903 0.739 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 -0.993 -7.019 -6.731 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 -1.368 -6.444 -4.300 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 -27.472 -43.006 2.069 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 -15.099 3.235 8.056 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 3.839 1.381 -2.503 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 -3.358 26.180 -10.111 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 -4.129 9.543 -5.145 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 0.048 5.844 -1.544 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 0.197 8.163 9.509 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 1.250 5.340 -2.403 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 2.323 5.766 -0.987 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 4.732 17.173 1.155 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 4.730 -18.905 -16.085 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 1.197 2.847 0.538 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 17.714 19.810 11.112 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 5.696 -13.914 -14.700 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 -5.121 3.133 0.255 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 17.461 10.315 -21.117 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 -29.428 13.988 -0.928 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 0.771 5.601 -0.868 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 12.882 9.160 5.050 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 8.113 -5.635 -23.905 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 5.076 2.012 -4.226 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 -28.096 -18.558 -19.599 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 1.003 18.450 12.903 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 3.238 -2.547 0.552 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 7.092 15.797 11.498 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 14.737 8.447 -15.486 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 0.244 2.883 6.758 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 -1.168 17.292 -4.154 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 -0.317 -9.007 -3.046 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 7.462 -1.879 -6.926 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 2.686 -12.250 -16.729 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 -11.420 6.562 8.440 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 1.697 -5.539 -0.811 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 -10.784 8.258 6.557 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 3.509 -14.166 -27.015 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 2.397 1.116 -0.088 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 -4.292 10.456 -23.741 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 -33.805 -5.953 1.634 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 2.962 3.825 1.223 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 -12.896 12.815 -30.093 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 11.425 -1.164 13.454 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 -0.021 -0.091 -7.088 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 1.789 -3.156 0.948 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 -3.625 7.969 -5.347 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 6.374 0.019 -0.977 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 15.802 -0.990 6.688 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 -29.490 0.717 20.831 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 5.194 -0.734 -2.385 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 -1.061 10.241 11.721 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 -13.403 9.503 -11.001 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 -2.976 -4.578 5.091 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 -32.790 0.774 -3.617 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 11.434 6.966 -9.990 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 0.641 2.151 -7.270 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 10.068 0.716 3.660 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 0.385 -17.007 -11.795 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 3.163 -8.086 0.704 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 4.556 -4.595 -9.047 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 0.456 -11.896 20.831 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 -1.745 1.784 -1.722 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 -11.607 -9.474 16.068 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 29.047 -5.139 5.708 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 -4.586 -6.880 -3.351 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 0.760 13.290 -25.316 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 -4.770 5.884 -12.808 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 -2.232 5.680 1.980 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 -8.697 -7.189 -7.720 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 -10.966 6.498 19.738 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 5.520 -0.507 5.471 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 -0.826 1.215 13.010 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 9.620 3.695 -0.931 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 -1.699 2.045 3.848 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 4.382 -1.441 7.443 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 4.833 5.229 -6.081 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 1.308 -2.629 0.809 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 -5.061 -1.520 15.981 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 3.281 -7.065 -9.822 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 0.572 -0.352 4.251 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 14.704 -19.938 -7.607 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 7.989 -23.280 4.812 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 -3.802 -1.235 1.696 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 -0.817 12.524 -8.263 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 2.858 -2.653 15.838 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 -6.577 -3.161 2.229 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 -5.506 -1.329 -5.398 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 -4.873 6.551 1.233 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 2.620 4.127 5.437 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 -6.238 14.863 11.670 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 -3.834 -0.489 18.555 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 -5.978 -0.686 0.448 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 -3.533 -10.061 11.746 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 -7.441 0.316 -7.789 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 8.672 3.431 -8.276 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 11.574 2.890 -17.615 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 6.339 2.050 -11.798 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 0.949 -0.548 7.237 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 2.837 1.094 20.853 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 -3.170 -7.233 6.636 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 6.130 0.027 0.126 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 24.921 8.742 14.639 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 -7.746 6.597 -16.723 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 -4.536 2.895 0.539 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 1.245 -11.400 -45.376 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 -11.396 12.309 12.016 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 -4.304 -7.874 1.487 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 6.635 -0.476 -9.521 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 -8.818 -4.363 -3.738 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 -1.798 -1.079 -3.583 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 11.298 1.901 3.664 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 -9.869 -5.158 9.769 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 2.652 -0.453 -1.239 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 9.319 -1.109 -9.673 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 8.622 10.490 -7.629 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 2.325 -5.488 -4.661 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 -0.180 -1.645 -8.417 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 12.363 18.928 -6.159 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 1.172 -2.371 3.345 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 1.554 9.783 10.898 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 -2.080 -7.900 19.671 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 4.034 -0.854 5.695 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 -3.628 -8.868 -15.556 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 1.302 -10.047 -10.362 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 2.863 0.704 -2.732 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 10.571 -10.543 -23.965 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 0.069 7.558 3.429 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 -4.703 -0.956 -3.559 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 7.724 -3.867 -13.392 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 1.606 8.741 -8.163 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 3.266 -4.355 -4.378 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 37.431 5.193 -7.201 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 2.222 -5.080 -0.403 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 -3.165 0.435 4.736 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 -18.966 7.511 0.218 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 -7.543 -20.492 -3.071 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 -4.687 0.879 -8.095 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 -15.995 -2.542 -5.216 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 -5.849 9.179 -2.537 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 3.485 -6.292 -1.320 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 8.466 -14.671 -5.558 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 49.367 30.121 -4.417 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 -7.726 0.181 4.859 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 -10.352 1.548 4.203 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 -7.612 -2.638 -1.839 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 2.584 -6.304 -0.899 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 -17.484 -11.009 3.325 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 26.729 -6.108 -6.737 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 3.181 1.324 0.156 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 11.013 -29.039 -20.769 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 10.063 -27.978 -2.851 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 -1.692 2.315 -3.292 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 -1.656 5.073 3.256 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 -9.520 1.831 -6.455 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 -4.765 -1.356 -2.374 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 -2.107 12.762 -7.663 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 -11.092 7.718 -9.900 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 -0.024 -4.000 0.093 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 8.528 -8.170 -9.804 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 7.423 -6.115 9.887 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 1.854 3.335 -0.764 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 -7.680 9.526 2.267 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 2.810 -9.170 8.871 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 3.621 0.612 -4.220 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 -13.064 -6.053 -0.916 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 7.107 -13.166 -4.212 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 -1.739 -0.740 0.875 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 -2.697 11.981 -6.764 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 -2.792 -4.125 4.291 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 -2.173 -4.797 6.009 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 0.293 -4.569 9.841 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 5.551 -2.297 18.327 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 -1.384 2.454 5.927 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 -6.441 6.945 3.178 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 0.258 1.351 -4.066 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 2.377 -3.639 -1.650 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 11.405 -4.759 1.467 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 -14.096 -8.077 -7.393 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 2.989 -6.140 -5.828 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 2.131 15.238 -7.114 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 -1.522 -5.058 3.321 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 -7.214 1.317 -2.521 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 -1.893 7.632 1.655 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 16.149 -13.790 -14.553 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 5.241 -3.135 1.629 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 4.165 -6.778 2.064 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 4.248 -20.074 1.685 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 5.200 1.663 -1.814 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 -3.895 -2.831 -4.137 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 7.999 -2.408 7.312 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 -5.415 8.377 -0.918 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 0.263 -8.636 -12.007 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 21.685 -18.878 21.417 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 2.561 -7.399 2.047 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 -3.149 21.475 3.045 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 -9.213 -15.499 -16.248 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 -0.169 -2.220 0.465 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 -19.931 10.863 -9.430 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 26.274 -17.904 19.757 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 -0.778 0.738 -5.685 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 9.075 2.454 -7.689 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 6.807 -10.582 9.085 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 -2.734 -0.544 -0.900 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 -1.573 -6.874 -14.232 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 13.826 -1.101 23.603 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 -1.945 8.138 0.089 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 -6.893 3.418 1.192 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 -7.173 10.270 -5.961 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 2.087 0.673 4.147 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 26.071 5.226 -16.691 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 15.506 -18.818 14.798 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 -5.244 -7.069 -0.230 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 -18.444 -20.429 5.741 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 11.047 -5.389 -21.468 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 -3.548 -5.530 2.645 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 -7.678 -10.834 3.687 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 8.688 7.789 -3.924 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 2.148 6.788 -3.544 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 9.497 21.686 -5.856 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 -10.851 7.552 -16.044 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 -1.647 4.368 -7.499 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 15.205 5.304 1.974 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 -4.589 15.981 -20.489 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 5.828 3.288 -1.410 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 9.054 14.579 17.205 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 13.913 -16.676 -7.671 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 2.126 2.879 4.447 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 21.310 -5.047 21.210 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 9.761 36.552 -1.235 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 -2.030 -1.517 2.598 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 -0.488 -2.242 -14.688 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 -4.468 -0.942 24.801 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 5.240 1.603 -5.293 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 5.548 20.090 -10.257 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 -32.805 -26.315 5.565 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 -4.080 -3.437 0.811 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 -4.848 -5.933 9.619 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 -18.493 -5.149 -4.473 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 5.910 5.955 1.885 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 21.142 19.974 7.585 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 -8.250 -4.747 20.814 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 0.692 -5.389 2.799 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 -23.246 2.300 4.378 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 -2.370 13.457 -8.564 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 -0.644 3.016 -4.035 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 -7.649 0.662 -7.009 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 16.261 -4.656 -6.159 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 0.276 3.225 0.191 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 6.146 -3.577 -18.571 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 -0.673 4.955 2.499 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 -3.059 -1.610 2.421 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 13.557 21.024 -10.226 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 -13.355 17.943 -10.291 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 1.888 -3.138 -1.450 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 7.231 -9.541 -7.187 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 3.824 -9.965 14.176 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 -1.643 -5.529 -0.085 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 -2.812 -1.796 4.193 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 -3.335 -0.228 -4.616 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 -5.221 0.972 5.670 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 -5.727 -0.613 17.916 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 -3.125 -1.806 27.651 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 -1.855 -1.832 1.651 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 2.881 1.473 -4.941 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 -4.134 -2.676 3.581 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 0.502 -3.100 -3.315 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 9.490 -2.725 -2.717 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 10.237 -10.135 6.917 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 -3.029 4.166 2.366 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 -4.189 27.150 0.296 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 2.646 0.495 -4.626 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 -4.927 -1.928 6.571 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 -2.347 23.096 28.758 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 -9.376 4.388 -11.617 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 -5.278 2.064 -3.148 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 -0.798 11.027 -8.363 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 3.954 5.647 10.320 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 -0.223 4.273 1.127 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 28.862 4.406 -24.095 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 4.285 28.039 -9.513 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 -6.745 -3.508 2.327 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 -13.944 -18.948 -1.181 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 -6.194 3.913 2.112 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 1.301 2.194 -0.644 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 0.964 -7.185 -19.891 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 -19.924 2.599 4.458 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 2.918 4.452 -2.259 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 2.588 9.336 1.296 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 -1.300 3.913 3.085 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 -7.265 -0.805 1.622 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 -8.023 1.701 9.787 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 -17.340 -7.264 3.000 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 -6.150 0.219 -3.281 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 -17.772 -7.244 -6.015 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 -0.482 4.612 -2.322 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 7.647 -2.452 -1.526 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 17.076 1.416 2.824 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 -16.306 -21.170 0.391 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 6.393 -8.138 4.818 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 -15.409 15.946 3.668 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 3.319 -23.846 -23.248 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 -0.499 1.591 -1.591 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 -1.613 5.859 -7.281 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 -1.155 5.499 3.848 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 5.087 -1.559 4.559 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 -2.698 -32.989 -15.355 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 -19.094 20.354 0.047 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 -2.070 5.915 4.217 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 -4.240 -6.874 2.760 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 6.063 6.985 22.224 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 0.937 2.927 2.426 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 11.749 -5.836 -6.855 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 4.105 4.768 2.537 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 1.121 1.300 1.554 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 0.743 7.250 -11.272 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 -0.498 -3.580 0.483 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 8.906 1.400 -3.810 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 10.373 -1.631 -13.592 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 12.418 9.002 -20.645 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 -0.384 1.711 0.609 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 -3.064 4.287 3.418 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 -7.787 2.273 0.937 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 8.090 -1.229 -0.631 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 11.809 -6.844 -12.410 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 4.887 5.693 5.406 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 -0.426 0.107 -3.826 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 5.147 5.368 -3.355 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 2.111 14.873 -6.674 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 -7.947 2.500 4.489 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 -14.305 6.337 10.047 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 3.690 -6.678 31.864 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 3.265 -3.429 -4.792 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 0.652 -9.486 -4.375 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 1.262 -0.322 -5.394 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 -2.869 -3.907 -4.949 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 14.065 3.307 -21.259 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 16.185 12.455 9.673 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 4.383 0.398 2.881 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 12.694 2.304 20.223 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 3.775 8.551 9.819 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 0.305 -2.067 -2.274 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 15.362 -13.923 -2.665 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 2.740 17.041 -9.504 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 -3.715 1.419 2.832 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 -0.136 6.939 2.428 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 -7.128 -8.506 5.149 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 -2.432 -5.635 2.944 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 -18.955 0.228 18.571 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 -24.008 8.177 20.415 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 -4.557 5.078 2.376 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 -6.257 -3.861 -5.958 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 -6.500 3.356 2.221 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 -0.766 -4.546 -8.793 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 3.669 -8.985 6.905 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 -7.403 -2.742 -1.488 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 -1.192 0.588 -1.466 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 28.619 -13.011 -14.573 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 -3.167 6.928 -3.656 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 2.737 1.779 -3.853 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 -10.168 15.231 -15.333 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 -29.041 10.153 26.989 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 2.715 -3.138 -6.060 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 23.863 -6.517 -14.744 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 37.201 -8.802 -20.928 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 6.575 -2.704 1.479 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 17.123 -5.518 17.753 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 11.599 -0.597 7.572 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 1.227 2.915 5.762 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 5.466 1.914 5.563 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 -0.074 0.945 7.472 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 0.154 -0.277 0.984 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 -1.012 5.698 1.318 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 -1.099 -20.084 4.889 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 4.479 -5.140 -0.277 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 15.690 -6.549 -10.278 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 3.481 -18.683 7.926 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 0.917 -8.831 -2.438 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 5.847 -3.430 -0.097 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 20.731 2.807 4.231 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 -2.773 -1.441 2.179 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 16.845 2.348 14.727 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 2.307 3.716 4.769 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 -2.187 -1.930 -0.316 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 -4.753 2.041 21.904 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 -8.870 -4.348 -9.702 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 4.363 -3.321 3.772 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 -4.044 -5.363 2.146 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 2.873 -4.716 16.955 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 -3.229 -5.218 2.319 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 -5.132 -6.799 -9.426 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 -1.560 -2.647 3.504 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 -2.958 -3.738 0.043 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 10.908 -11.687 0.644 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 -3.556 -2.227 -2.367 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 0.948 -5.143 0.358 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 0.080 -11.287 -0.815 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 3.630 -21.113 -16.161 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 -0.109 -5.133 3.877 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 -20.344 20.511 -22.742 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 19.931 -20.327 12.134 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 -4.043 6.240 3.666 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 4.454 -6.704 17.171 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 8.936 -13.029 -8.140 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 -0.551 1.184 -0.461 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 -2.161 2.409 5.138 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 -2.511 -1.812 -10.213 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 -2.572 5.784 1.174 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 -2.094 14.824 -19.530 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 -5.782 22.824 10.958 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 -0.585 10.889 -7.190 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 1.404 5.073 0.191 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 1.674 7.104 -1.705 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 3.177 -4.375 -6.665 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 3.904 6.037 8.710 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 13.397 -17.762 2.627 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 -5.090 -1.716 -7.198 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 -0.945 9.131 -1.799 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 0.719 -11.103 -5.767 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 -5.979 -4.551 -0.942 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 9.687 -13.624 -7.325 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 -10.145 3.445 -12.554 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 2.119 4.351 0.718 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 8.134 6.543 -5.941 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 -5.597 3.340 7.451 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 3.609 2.022 5.199 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 6.993 18.165 9.864 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 8.549 6.743 2.284 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 -3.825 0.111 0.481 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 -12.008 -0.299 5.555 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 5.306 -1.337 -1.431 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 -2.064 -0.234 0.424 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 -4.719 -9.216 6.228 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 17.641 0.920 3.091 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 1.414 5.997 -2.836 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 -9.365 -9.162 21.678 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 -1.438 6.127 4.346 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 -4.211 -4.777 2.210 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 2.001 -4.365 3.132 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 -5.218 4.112 -1.657 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 6.878 -3.058 1.561 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 10.585 0.280 16.066 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 9.220 1.691 20.980 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 -0.164 -5.910 3.359 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 17.085 -21.589 0.624 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 8.709 -13.044 3.911 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 -3.483 3.228 -6.494 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 -32.318 13.496 -17.414 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 10.049 31.935 13.242 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 0.126 -5.742 -1.282 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 -13.326 -4.763 0.680 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 0.672 -2.153 5.669 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 1.841 2.269 6.460 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 -9.865 11.711 17.097 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 -2.780 -3.569 6.981 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 3.025 1.068 -1.416 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 1.497 2.053 4.491 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 -5.683 14.550 -10.876 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 -1.739 3.642 -3.339 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 0.693 -4.202 -14.902 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 3.971 3.707 -4.769 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 0.817 6.638 0.543 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 -5.058 21.179 18.318 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 -9.782 13.489 12.249 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 3.837 -5.019 1.438 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 11.992 -10.203 5.340 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 14.499 -13.665 -16.237 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 2.122 3.982 7.980 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 1.189 -3.032 15.213 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 16.622 -10.539 4.655 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 1.107 -3.770 -10.303 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 17.735 -13.108 9.618 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 7.890 37.012 -17.125 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 -3.180 7.673 1.636 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 -17.363 1.892 6.930 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 0.238 9.837 1.506 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 3.438 0.901 -1.087 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 9.611 1.505 -2.590 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 -1.893 6.955 0.241 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 1.506 0.635 1.420 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 14.816 0.749 12.696 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 12.785 2.028 17.809 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 -6.607 -6.522 0.073 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 21.126 9.897 -7.156 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 11.631 -28.902 5.189 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 -6.743 -5.400 -2.250 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 18.500 6.208 -18.842 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 -21.185 -9.915 -11.732 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 -4.829 2.041 -0.563 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 7.670 -2.825 -10.873 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 -3.044 0.237 -5.352 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 2.495 4.422 1.251 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 3.950 -6.555 11.388 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 2.754 17.198 -21.574 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 -4.799 -0.870 -6.751 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 -6.543 -5.291 -0.168 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 -9.080 6.024 -6.896 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 -1.224 1.679 -1.753 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 -3.021 -19.858 7.611 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 -12.538 15.488 13.589 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 2.021 -0.352 1.662 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 -24.203 -5.319 9.728 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 13.758 -26.915 -8.034 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 -0.300 3.573 2.653 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 0.416 3.409 2.062 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 -0.145 1.946 -4.236 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 0.937 -0.556 -3.010 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 -10.425 4.675 4.884 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 -4.125 12.033 -0.174 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 -0.662 -1.147 -1.601 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 -17.192 3.195 -24.690 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 -10.709 -1.557 -17.052 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 6.243 0.014 -0.352 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 5.042 1.916 6.121 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 13.750 2.358 -12.930 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 2.024 -5.334 0.114 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 4.494 -9.758 -22.467 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 11.332 -23.352 35.977 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 -2.729 1.102 -16.973 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 -15.763 -7.523 -13.783 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 0.077 10.965 -5.505 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 1.486 -1.117 3.196 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 -18.684 -10.166 -10.298 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 5.292 5.809 8.609 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 0.450 -2.941 1.283 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 5.184 10.529 1.529 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 7.260 9.238 2.078 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 0.878 -8.196 -6.231 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 22.607 7.627 -19.539 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 -3.780 -0.531 8.119 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 3.513 -0.272 5.950 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 -5.628 -7.181 5.992 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 12.894 2.997 9.639 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 5.552 9.986 -2.868 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 0.854 14.148 -0.299 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 -1.984 9.752 6.309 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 4.140 -8.174 4.211 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 -22.770 -9.878 6.235 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 5.945 5.886 22.117 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 -1.367 -5.171 0.590 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 2.674 -0.334 7.208 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 0.186 -10.164 -24.035 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 -6.598 0.210 1.133 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 10.532 0.142 -12.979 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 -6.461 7.827 -2.960 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 3.754 -3.596 0.143 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 4.226 11.804 20.238 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 2.528 1.878 3.206 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 -2.417 -2.375 9.477 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 11.892 1.438 0.361 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 -3.111 -11.572 -8.424 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 6.890 1.713 -2.888 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 13.916 -18.983 11.748 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 2.653 14.096 -13.328 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 -6.467 -3.230 -1.961 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 9.917 -3.677 -4.171 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 2.727 28.443 6.735 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 7.494 -4.444 -1.558 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 -10.071 -15.770 -7.335 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 6.573 0.299 16.413 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 1.667 0.831 7.852 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 16.268 -9.383 -1.294 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 -3.042 32.749 -7.895 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 -0.849 -0.471 3.832 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 -14.366 1.815 4.314 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 1.939 10.693 -3.876 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 1.340 -1.278 7.008 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 -3.466 0.435 19.176 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 -10.460 -3.970 1.441 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 1.474 -0.480 3.691 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 6.389 -14.073 18.232 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 -0.633 13.546 -16.021 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 -1.207 1.215 2.760 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 13.150 -10.429 2.150 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 -17.246 -11.771 -2.082 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 3.761 -5.157 -2.377 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 -5.046 8.755 14.956 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 23.789 -13.283 11.885 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 0.691 2.462 -11.735 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 20.696 -5.201 -9.607 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 -5.779 5.656 8.030 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 3.770 -6.399 0.934 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 3.297 3.057 -14.252 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 -11.770 -13.363 5.342 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 -2.233 -3.087 1.748 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 3.192 3.980 -2.691 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 -7.799 -16.345 -0.177 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 2.887 -0.691 4.512 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 -12.303 -11.205 0.348 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 0.959 3.227 -16.694 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 0.602 3.907 -6.228 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 16.621 12.211 -2.179 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 24.439 11.681 -9.401 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 0.950 -0.861 -1.704 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 -4.316 -2.391 10.677 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 3.630 0.966 -4.771 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 5.389 2.665 2.265 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 4.893 4.109 -0.778 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 5.741 -0.524 8.721 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 0.713 -3.358 3.054 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 -13.572 22.984 -20.391 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 -5.085 7.701 -6.235 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 0.745 -1.922 -0.360 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 -1.129 -2.355 5.867 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 14.107 3.130 -18.713 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 -0.428 3.452 -3.670 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 -1.315 4.059 -2.191 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 -1.471 -12.029 -0.376 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 -0.105 -5.636 2.223 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 12.443 -3.733 -0.971 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 11.079 -14.558 23.972 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 5.354 4.775 -0.536 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 29.209 -5.664 -10.313 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 -20.405 25.059 -14.500 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 0.980 -2.102 -0.038 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 -4.862 -1.628 -10.121 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 -9.970 1.134 6.211 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 -4.460 3.308 5.204 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 -24.861 0.441 -3.052 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 -5.707 14.471 -17.841 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 0.973 4.732 7.126 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 -5.363 -25.366 13.977 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 0.306 -16.117 2.944 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 -7.020 -2.907 2.501 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 14.925 -26.309 4.388 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 -15.900 38.897 -15.844 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 5.785 2.601 4.590 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 -20.322 -14.776 8.055 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 -12.702 -5.832 0.026 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 10.794 3.362 -1.100 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 1.206 -18.199 -4.243 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 4.463 -0.080 -9.184 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 -1.109 0.349 -5.584 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 -9.166 -15.486 -13.083 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 6.204 24.323 -22.982 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 -1.534 -3.553 1.734 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 -15.054 24.523 2.158 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 4.241 -18.523 2.216 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 0.759 6.338 2.782 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 0.188 7.179 2.894 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 1.616 7.298 2.089 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 8.177 -0.827 1.442 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 3.667 25.293 -9.364 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 -12.990 22.353 -15.891 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 -3.374 -1.938 -2.206 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 -3.224 -10.436 4.015 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 -0.665 -10.315 -4.959 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 2.964 -4.240 -0.978 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 2.832 10.587 13.720 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 -4.862 -0.635 3.790 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 0.659 7.188 5.902 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 8.452 -7.538 -0.448 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 -7.238 9.542 7.802 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 -0.569 -0.640 -1.640 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 -4.421 -2.829 2.267 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 -7.970 -13.879 12.373 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 -2.005 -0.729 1.554 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 -9.788 -2.673 16.375 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 -8.188 -10.442 -7.999 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 1.113 -4.321 1.944 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 -10.823 -12.425 -1.888 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 20.245 7.201 14.326 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 0.739 5.301 0.885 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 2.439 -0.623 -4.735 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 10.366 5.558 15.635 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 5.287 -8.923 -3.355 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 10.305 -14.549 -10.897 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 5.114 -17.071 -0.709 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 -1.083 2.392 -2.968 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 -12.156 -1.224 4.694 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 0.553 23.678 -7.161 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 5.358 4.572 0.499 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 1.583 30.862 12.838 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 -3.508 10.291 -27.380 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 -4.758 5.288 0.789 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 5.683 -11.008 -25.612 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 -25.370 -2.177 0.311 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 -2.527 -5.336 0.205 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 -2.435 -28.424 -1.051 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 10.455 -15.969 6.335 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 1.161 -5.470 -3.558 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 -12.313 -7.049 -2.292 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 -2.518 11.489 5.317 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 -2.308 0.625 -4.654 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 7.713 24.441 1.980 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 20.476 17.848 -32.865 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 -4.532 -3.729 -2.749 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 -18.015 -13.706 6.025 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 2.095 0.168 -17.792 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 -3.477 -1.424 -4.379 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 4.003 3.926 0.387 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 -11.720 -3.378 -1.501 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 0.818 4.000 3.516 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 8.147 -19.300 5.337 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 -21.106 -0.426 5.871 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 4.416 2.595 3.296 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 1.633 -5.028 -7.166 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 -0.579 -9.237 4.235 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 4.574 3.148 1.854 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 -1.767 -4.171 0.652 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 -5.077 -6.785 -0.722 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 6.077 5.896 2.779 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 5.959 6.424 2.009 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 7.243 -23.882 38.705 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 2.603 -3.473 0.122 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 -8.853 10.649 8.002 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 6.782 -5.982 -12.490 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 2.327 -1.154 -2.189 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 -1.087 -7.476 -2.849 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 10.292 -0.209 -1.493 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 -0.072 6.771 4.648 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 8.088 20.682 -1.936 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 -6.307 -7.533 -6.083 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 -5.404 0.705 1.218 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 11.252 -5.431 -23.498 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 -9.296 6.197 20.117 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 -0.573 1.015 3.920 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 -12.087 41.313 2.317 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 -5.880 5.123 8.279 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 6.641 2.539 0.426 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 -6.581 -0.712 10.467 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 4.067 9.609 2.115 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 -3.273 -2.262 -0.496 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 14.085 15.328 7.680 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 22.609 11.083 9.198 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 -2.745 6.424 0.119 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 -13.506 -28.793 -11.664 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 -9.168 -21.073 -7.896 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 -1.419 -0.769 2.074 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 -21.943 -0.338 20.631 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 -0.504 -7.172 -2.322 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 0.853 1.793 -4.051 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 1.513 -3.040 9.664 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 7.213 16.021 -0.378 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 -6.750 3.375 5.652 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 9.273 13.487 -3.257 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 6.044 -0.237 -3.766 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 -4.096 3.432 -4.166 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 3.587 18.249 -9.274 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 -5.998 1.447 -3.893 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 -1.812 3.461 -1.655 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 -6.598 1.895 -4.084 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 10.555 6.075 6.281 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 6.341 -2.623 0.515 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 -1.441 -13.638 -7.311 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 21.835 9.293 7.340 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 -0.249 4.320 0.123 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 4.784 17.190 -9.965 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 20.033 -12.701 7.261 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 1.703 -4.397 5.376 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 5.802 10.438 -2.644 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 22.190 -6.384 -1.141 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 5.344 3.428 1.939 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 -19.762 32.129 8.509 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 8.777 -0.685 0.676 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 4.356 2.017 1.842 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 11.763 10.791 -6.747 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 -4.170 -11.197 9.209 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 2.258 -1.034 8.496 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 19.538 1.225 -8.785 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 9.146 1.905 -2.960 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 -0.040 -1.652 -1.138 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 0.868 -1.109 0.619 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 -1.579 -4.331 2.235 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 4.078 1.863 6.497 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 -1.955 -3.969 0.686 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 -2.395 -4.108 -4.290 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 4.174 -2.559 -5.437 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 3.430 -3.562 12.701 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 9.748 2.339 0.123 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 -0.278 -1.986 -0.291 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 4.651 -12.272 -13.547 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 -5.732 12.980 5.933 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 6.306 -1.805 0.542 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 8.647 27.839 13.877 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 0.538 -3.362 7.813 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 3.434 2.758 -5.528 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 -7.975 11.478 -22.544 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 14.378 -5.363 11.162 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 2.705 4.266 0.017 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 -0.382 12.618 6.060 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 -6.300 -13.377 -14.854 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 -1.715 4.665 -1.464 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 -0.931 -0.420 6.099 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 6.953 -23.681 -14.055 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 -4.530 -1.837 1.446 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 -3.740 -3.062 0.244 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 -3.107 -10.278 0.616 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 2.592 -2.241 -2.872 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 2.995 -0.362 1.523 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 3.694 4.667 3.426 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 -2.910 -2.044 2.857 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 -7.020 10.047 21.267 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 17.514 -7.495 -0.076 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 6.906 1.832 -1.280 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 -0.265 -16.301 3.379 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 5.919 10.841 8.947 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 -6.421 -2.602 -5.354 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 20.199 -18.169 3.769 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 -2.884 -16.372 -0.740 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 -1.120 2.274 -0.716 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 8.806 -15.015 -0.226 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 10.801 -0.935 1.115 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 1.287 4.292 -0.475 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 -5.938 -4.930 -3.879 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 -4.479 18.722 -8.283 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 4.355 2.416 -1.262 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 1.866 -6.015 -3.521 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 4.160 10.145 5.353 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 -2.318 -1.401 -6.045 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 -29.337 -0.120 -22.721 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 -4.672 5.511 -3.570 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 -6.142 0.051 -0.086 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 -4.214 7.434 7.635 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 -2.657 2.839 12.689 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 3.159 6.633 -1.264 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 -4.249 2.776 22.766 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 4.503 8.582 7.283 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 1.539 2.740 -2.422 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 3.381 -23.544 -13.362 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 7.578 9.597 22.738 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 -0.561 -0.127 5.453 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 0.278 -4.710 -4.958 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 -3.307 0.945 -2.985 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 1.268 -4.427 -4.995 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 1.056 -3.477 2.113 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 1.285 -5.058 5.963 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 1.739 -3.992 0.445 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 6.187 -3.356 -0.827 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 4.926 -26.078 8.577 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 0.737 -1.308 2.929 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 11.509 1.382 -14.390 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 9.978 -8.060 11.145 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 2.848 3.694 3.409 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 17.912 14.316 7.167 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 -24.483 -17.924 9.530 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 0.756 5.474 2.971 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 8.946 -19.433 23.289 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 27.030 15.712 9.529 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 0.938 -3.493 7.023 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 13.028 6.712 0.385 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 0.708 0.460 9.410 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 4.623 -3.054 5.588 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 1.491 7.687 4.260 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 17.337 -6.733 0.929 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 -0.332 1.774 2.592 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 -5.113 3.942 2.761 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 0.962 1.676 1.435 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 -1.134 -2.196 0.283 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 8.398 -15.296 24.100 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 11.066 -7.280 33.090 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 -0.629 10.294 4.946 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 7.436 -11.901 6.212 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 -9.277 18.049 21.444 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 0.211 -1.630 3.146 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 -6.039 -3.031 10.374 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 -1.932 -7.269 7.463 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 -6.549 -0.525 -4.815 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 7.376 -2.627 -13.575 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 -8.279 0.713 -12.974 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 -1.809 -5.342 -1.945 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 -2.225 -10.448 -5.746 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 -5.800 -5.894 1.746 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 3.186 -0.988 -4.904 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 -8.267 8.929 9.563 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 -8.246 0.428 10.738 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 -7.151 10.455 -1.104 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 30.617 5.050 -2.886 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 17.919 -1.266 4.701 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 -2.877 -2.958 1.556 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 -6.831 -21.863 0.363 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 -0.928 14.149 -0.550 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 1.886 3.874 2.940 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 -12.868 -5.285 23.030 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 6.480 8.260 22.160 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 -1.273 -6.740 -0.214 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 0.650 -10.131 -12.612 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 10.359 -7.521 3.537 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 -2.460 -6.386 3.924 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 0.500 -7.035 5.234 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 -0.898 -5.975 0.710 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 1.525 5.130 -2.535 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 5.679 6.136 7.589 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 8.185 -5.620 18.351 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 -3.233 0.225 -0.676 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 -0.492 0.807 -7.351 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 7.026 4.259 1.829 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 6.113 1.876 0.724 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 18.065 -5.071 0.926 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 -1.712 5.155 -0.701 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 1.703 -3.078 4.418 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 4.890 -0.010 0.285 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 -1.631 -7.500 6.749 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 5.311 -2.613 2.032 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 -14.332 -1.854 -3.738 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 12.301 -15.538 -6.148 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 -2.585 1.401 -1.188 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 -7.393 2.705 -0.794 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 -10.670 4.043 -10.540 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 -4.874 -9.092 -8.150 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 24.361 3.518 -8.034 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 33.647 5.005 -17.601 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 -4.783 -0.121 5.909 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 -8.815 18.066 -18.028 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 -0.613 -24.897 -0.315 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 -0.541 -0.250 -0.843 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 11.867 0.712 19.501 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 -8.986 8.050 -5.486 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 -4.333 3.186 -1.370 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 0.892 1.581 3.285 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 -10.346 3.963 -5.219 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 -0.636 -3.947 0.614 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 5.651 -25.101 -9.673 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 11.452 -2.475 2.425 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 0.402 6.431 -1.309 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 -11.813 23.611 -19.245 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 5.867 7.999 -0.640 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 4.914 0.396 -1.142 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 3.896 -6.984 5.127 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 34.323 -14.741 8.956 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 1.068 -1.856 -1.207 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 -9.716 6.135 -9.935 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 -15.835 7.681 -15.723 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 -1.454 -2.666 -0.370 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 3.689 0.983 -1.564 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 -2.828 1.572 8.582 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 3.797 -11.005 2.717 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 5.032 5.117 -10.550 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 6.944 15.922 -19.338 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 -2.203 0.645 -4.257 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 2.914 -13.739 -12.705 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -11.370 8.605 -2.649 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 2.424 0.184 -2.954 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 9.763 -20.560 5.893 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 1.242 -21.005 -9.073 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 -7.328 -2.780 2.195 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 12.760 -3.800 -8.618 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 10.096 8.292 -2.293 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 -1.889 5.158 -2.193 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 4.424 12.078 -10.640 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 13.924 3.010 -2.992 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 -2.699 1.540 3.319 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 0.230 1.376 23.105 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 11.270 5.834 -3.872 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 0.065 -5.927 -3.575 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 7.135 2.911 -17.261 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 2.709 -9.448 -7.984 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 2.241 -3.258 2.299 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 -10.713 24.877 6.595 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 -3.971 11.870 5.099 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 2.706 1.647 7.009 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 -0.488 2.572 9.393 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 11.229 2.588 18.411 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 0.710 5.240 -1.520 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 -9.904 17.634 11.206 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 4.643 6.078 -8.122 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 -1.401 1.025 2.234 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 -4.316 1.003 0.368 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 -1.159 -11.816 2.011 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 11.538 -3.207 -0.048 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 0.356 8.417 -4.556 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 5.242 18.713 -17.108 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 -7.343 -2.255 -3.875 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 -0.741 -3.604 -0.767 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 0.886 -7.191 -5.449 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 -4.485 -5.578 7.769 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 -19.394 -9.750 -8.597 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 15.568 -14.395 2.058 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 -0.904 -3.340 2.366 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 12.026 -11.907 -6.775 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 -6.923 0.340 12.628 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 -3.492 -3.851 4.186 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 -9.912 -2.897 9.230 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 -3.718 -8.914 9.024 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 -2.681 -5.994 2.485 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 -13.014 1.158 -11.494 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 7.691 -4.719 2.008 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 -3.366 -4.626 4.417 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 -3.132 10.386 15.312 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 -7.027 9.920 4.607 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 8.716 2.949 -1.708 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 12.092 -2.894 9.379 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 5.713 1.281 3.617 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 -0.638 -0.754 -1.288 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 -25.534 -1.290 -23.909 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 5.299 12.444 -9.531 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 2.762 -6.926 1.336 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 8.415 -1.445 12.792 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 13.944 10.891 20.859 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 4.645 -4.170 -0.530 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 1.812 -6.508 -6.918 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 -0.296 0.032 -4.542 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 -4.584 -6.265 -2.442 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 -6.905 -5.895 6.319 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 -7.367 -2.169 18.846 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 5.285 -0.751 2.199 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 8.830 -18.615 4.320 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 9.058 12.093 11.627 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 -1.418 4.427 1.321 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 -14.810 8.822 -14.302 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 9.897 -9.061 -6.946 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 3.083 1.708 -0.580 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 -9.514 12.534 20.375 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 -5.433 10.875 12.942 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 1.816 -1.154 -4.025 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 2.544 -9.204 0.145 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 6.063 -12.348 21.936 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 2.512 -6.373 -3.049 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 -1.592 -5.963 -1.680 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 8.702 -6.742 -2.837 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 2.191 -1.699 2.937 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 -20.544 5.631 -12.611 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 -11.975 -0.503 -3.077 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 -2.934 4.553 4.201 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 4.239 -2.985 17.323 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 -3.840 6.230 1.207 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 -3.275 2.888 -0.411 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 -9.569 29.244 4.284 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 -34.922 12.327 1.834 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 3.911 -3.670 -7.335 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 7.378 -1.055 -0.365 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 -5.255 -7.666 -5.547 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 1.355 -9.612 -4.971 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 -17.107 -5.728 10.362 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 7.432 -3.728 -6.782 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 0.129 -0.840 7.267 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 1.345 24.319 -14.164 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 8.653 6.227 -13.823 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 0.480 -8.475 -6.278 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 -16.020 26.195 11.368 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 11.455 5.158 -0.829 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 3.932 5.659 -3.978 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 11.429 4.073 -16.847 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 13.291 12.922 -1.758 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 -3.694 -4.877 1.247 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 -6.050 7.561 12.254 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 -7.224 14.521 20.080 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 -4.028 1.556 0.419 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 -2.178 0.011 -1.905 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 9.142 -16.438 -9.263 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 9.393 -0.402 8.290 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 -9.507 -31.020 1.611 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 -15.088 14.627 25.892 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 3.252 1.524 5.040 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 16.536 -10.419 1.007 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 10.882 8.274 6.353 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 -2.253 4.813 -6.937 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 -18.521 25.167 -26.526 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 0.588 -4.551 3.568 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 5.720 3.420 2.071 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 -7.080 12.126 2.154 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 38.032 1.987 8.439 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 -3.823 6.837 -1.582 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 -6.043 5.229 4.239 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 -2.889 1.354 4.557 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 -1.973 -2.487 4.230 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 4.027 -1.926 0.189 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 -2.821 -1.431 10.711 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 5.250 -6.434 1.217 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 -4.311 -14.434 18.088 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 2.641 5.081 6.185 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 3.120 -3.577 -3.442 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 2.711 13.428 -1.807 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 13.614 -21.675 -2.603 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 2.408 1.819 1.550 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 -4.766 -8.685 -2.823 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 -9.520 9.192 3.121 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 2.365 -5.407 -3.686 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 -2.919 -11.198 -8.719 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 1.573 1.414 -5.656 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 2.933 -3.237 0.934 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 -0.282 -14.155 -1.777 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 2.787 2.855 2.136 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 -2.542 -3.661 -8.226 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 17.623 6.068 4.889 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 12.398 -8.138 31.449 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 -2.304 0.807 2.506 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 21.162 -12.539 -15.762 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 10.617 9.470 23.480 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 -5.790 1.088 -6.375 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 9.904 -0.911 18.928 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 4.169 21.290 -23.499 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 -6.618 0.390 2.158 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 -18.515 -3.524 -14.472 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 2.050 14.291 36.359 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 2.455 0.141 -4.774 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 -1.874 40.119 15.570 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 11.727 8.403 28.652 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 4.402 -7.461 -2.086 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 -15.125 -13.200 -12.665 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 0.170 -5.039 0.634 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 -0.311 -3.210 5.023 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 4.871 -7.955 9.761 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 5.512 1.909 7.772 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 1.127 1.776 -0.653 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 1.580 21.099 -20.798 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 0.685 -13.015 18.189 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 0.201 -2.553 -1.163 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 16.362 2.229 -10.630 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 -4.335 -17.992 27.213 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 -3.430 -1.653 0.535 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 -8.494 24.517 16.015 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 -19.066 -0.604 -1.697 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 -5.238 7.446 4.664 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 -5.067 -4.149 -14.122 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 -8.596 17.564 -1.415 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 1.072 -0.233 2.953 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 -4.412 -7.730 13.849 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 -9.141 -3.622 11.611 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 1.395 3.291 1.990 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 13.560 -13.542 -1.570 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 -15.678 3.262 -11.261 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 1.819 1.445 1.091 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 -2.739 -4.021 -16.259 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 -3.224 15.653 3.268 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 3.576 -0.800 -0.139 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 -5.387 -4.703 9.835 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 11.764 10.578 6.679 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 0.565 -3.888 2.699 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 -11.392 4.204 2.192 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 -10.421 3.761 10.921 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 5.909 0.717 -4.348 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 5.190 1.698 -4.664 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 11.667 -5.489 -3.072 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 4.606 -3.095 1.278 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 -0.638 -1.084 -1.285 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 5.831 3.148 2.393 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 2.648 -6.689 4.914 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 18.963 -12.112 10.816 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 -7.749 -7.212 0.154 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 4.159 3.404 7.436 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 -10.144 5.300 3.752 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 4.877 -3.444 4.501 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 -0.430 2.897 -0.230 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 -1.071 4.754 4.309 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 2.286 -5.832 -5.346 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 7.024 -5.393 6.153 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 -27.564 -17.821 -0.180 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 -3.262 13.418 -3.064 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 -1.148 3.310 3.668 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 -5.229 -7.314 8.141 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 -5.047 -5.309 7.202 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 -6.117 -1.887 2.056 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 -5.525 -5.354 7.802 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 -2.850 4.002 1.687 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 -1.996 -4.141 5.372 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 -14.299 -8.013 2.001 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 -1.382 -3.580 12.552 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 2.482 5.148 2.922 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 -5.175 -13.730 1.045 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 -5.262 -14.654 0.350 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 -0.194 -0.940 -3.284 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 -10.870 -10.023 -10.050 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 17.297 10.573 3.180 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 -1.639 0.325 -2.214 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 1.820 -5.552 -9.607 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 7.409 -11.585 3.275 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 1.422 6.543 -3.582 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 19.431 25.453 -9.546 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 8.049 -15.998 34.331 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 -0.767 2.706 -4.067 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 5.772 35.593 5.357 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 30.088 1.609 -18.820 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 -4.347 -2.062 -0.249 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 -5.239 4.506 -10.315 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 -6.287 -38.565 8.582 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 -0.057 4.145 -2.347 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 9.846 1.020 -20.492 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 -13.080 -2.607 16.311 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 0.171 1.866 -3.611 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 1.316 -6.445 -6.227 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 3.579 -15.349 -9.037 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 0.065 -4.837 -7.286 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 -10.298 -5.769 4.367 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 9.184 -1.572 0.933 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 -0.185 0.807 8.716 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 7.001 3.622 7.861 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 2.217 -8.942 5.579 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 2.001 -5.263 2.549 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 0.477 -9.212 -9.175 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 -6.703 -8.924 8.873 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 -1.863 1.373 1.204 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 -1.569 -18.335 -1.062 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 4.165 0.854 3.281 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 -2.644 3.741 -0.143 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 -5.339 2.908 -1.923 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 -3.275 2.610 -1.660 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 2.044 1.485 4.555 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 -19.908 -4.659 25.222 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 -12.037 20.570 -18.714 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 3.249 -8.843 4.022 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 1.844 -11.059 7.585 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 7.316 -11.578 -9.150 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 3.417 1.556 -4.729 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 2.265 -4.963 15.528 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 2.373 -3.299 11.632 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 -0.439 1.131 2.635 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 -14.656 0.732 -28.309 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 2.975 8.816 2.350 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 -6.853 2.373 -1.269 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 11.987 -5.840 5.088 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 -15.735 5.776 9.295 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 -3.444 1.104 -1.272 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 -1.331 28.647 7.177 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 1.245 -12.406 -4.798 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 3.247 2.002 -1.479 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 -0.898 3.206 -1.929 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 1.795 1.273 -4.140 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 0.426 3.649 4.971 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 1.965 -3.932 -15.113 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 1.701 -2.785 -12.178 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 3.023 3.210 -0.845 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 9.903 3.890 7.041 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 -8.247 21.624 -7.299 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 1.092 3.084 3.491 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 1.601 7.402 11.725 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 1.098 -5.083 -9.039 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 0.008 2.734 5.228 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 -3.373 1.131 5.708 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 1.714 12.553 2.233 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 -2.528 -1.221 1.489 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 -4.395 -6.329 -6.272 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 -1.574 -8.764 -6.473 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 7.604 1.802 -8.483 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 1.379 1.079 -5.768 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 9.995 -14.031 -31.338 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 0.999 6.433 2.479 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 -1.640 -8.930 -3.085 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 5.600 -9.375 -2.803 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 -2.205 2.488 0.655 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 -7.489 4.465 1.566 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 0.108 4.509 5.489 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 -3.376 4.717 -1.397 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 -17.130 -2.289 -11.528 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 2.332 -10.635 16.711 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 -5.407 -5.893 1.305 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 5.352 10.303 -8.937 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 -0.494 -25.421 -6.247 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 -4.184 0.664 3.313 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 22.452 0.003 0.959 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 0.226 -2.054 10.671 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 -4.738 -0.682 2.605 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 10.054 1.555 4.648 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 -7.269 -6.022 -9.627 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 2.620 -4.469 -5.777 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 8.880 22.094 12.227 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 -19.872 6.364 1.902 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 4.353 -2.522 -2.018 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 2.632 -9.626 0.862 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 2.295 1.917 3.978 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 -4.622 -6.726 -7.404 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 11.314 19.839 -4.779 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 -20.117 -36.057 -37.031 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 -0.533 2.891 1.077 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 0.882 11.214 0.159 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 -4.850 3.542 1.601 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 0.069 2.858 8.137 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 -12.532 -4.046 -12.059 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 -14.490 -6.211 -1.684 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 1.070 5.206 -0.463 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 -2.693 -0.405 -13.019 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 2.869 10.269 -1.592 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 -2.869 -4.038 4.139 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 -1.846 -4.294 2.426 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 3.877 -5.705 11.972 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 -1.624 9.438 0.260 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 6.517 3.805 1.689 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 0.077 0.056 18.273 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 4.278 0.461 4.947 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 5.054 3.546 8.876 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 -0.109 2.573 -1.365 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 -11.395 -5.086 -6.978 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 -6.788 -4.291 24.155 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 9.049 12.005 -17.351 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 -0.550 -0.236 3.986 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 -15.418 -12.257 16.026 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 0.303 -10.855 -2.859 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 -0.275 2.872 -2.034 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 15.616 24.533 -16.529 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 -5.131 -5.902 8.276 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 5.191 -3.495 -0.473 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 -6.270 -9.932 13.383 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 -8.786 -3.382 -0.032 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 -2.344 4.466 -5.591 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 -7.484 -11.494 -6.196 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 -9.689 20.476 -1.566 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 0.763 3.965 1.615 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 6.681 -3.902 6.480 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 -2.878 -13.148 -8.536 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 -1.372 1.949 -0.244 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 -7.698 16.793 14.836 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 11.289 -25.286 -27.772 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 5.371 2.462 -0.349 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 -10.077 0.416 -7.611 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 12.666 10.127 -15.089 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 -5.384 0.118 1.679 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 -19.996 -1.121 6.312 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 23.827 -2.133 -0.743 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 4.282 -5.531 2.137 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 5.936 41.421 -2.820 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 4.659 0.667 1.862 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 6.643 0.696 -1.464 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 29.810 -6.250 -22.273 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 -8.164 -2.358 6.354 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 3.129 2.272 0.724 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 -20.024 0.238 -2.965 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 -1.530 -2.189 -1.670 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 -0.801 -5.071 7.082 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 -1.349 -3.622 1.479 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 1.873 -4.157 -2.643 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 2.215 -2.881 6.749 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 -2.089 -4.626 -2.021 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 -0.993 5.869 0.860 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 -5.879 0.973 -1.339 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 -18.585 1.629 -9.374 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 -11.516 -2.482 -7.236 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 -0.018 -5.148 0.983 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 4.611 11.513 -13.208 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 -1.726 5.800 -3.575 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 -0.585 2.345 -2.285 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 -22.688 8.023 6.550 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 -20.357 5.294 0.906 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 -6.115 -3.818 0.413 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 -23.832 14.234 -7.891 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 -6.241 -4.317 -2.399 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 -2.195 1.494 4.692 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 -4.018 -18.953 3.892 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 -9.376 5.744 -16.294 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 -2.828 -1.005 -0.411 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 -8.337 -0.764 10.918 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 2.516 -3.164 -8.453 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 -2.270 2.261 -6.306 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 5.649 -27.434 -6.328 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 5.876 -12.924 11.849 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 -5.015 -1.499 3.888 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 -12.152 -16.898 8.030 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 -13.002 -10.115 28.797 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 -0.812 -4.905 6.965 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 9.587 -3.384 3.523 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 -8.880 2.053 4.841 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 1.078 -5.425 0.456 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 -11.125 27.663 -1.369 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 -4.247 3.203 -0.873 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 0.213 0.390 -1.204 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 -2.049 1.048 9.886 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 -3.590 -3.373 2.645 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 -0.302 -0.215 0.673 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 5.188 14.900 1.090 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 -0.955 -3.602 -4.239 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 -3.914 1.552 0.772 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 13.346 8.283 2.575 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 19.329 21.817 18.291 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 4.825 -3.731 -3.139 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 1.451 3.301 11.332 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 -9.651 6.410 22.632 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 -2.397 3.394 -0.778 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 -6.777 -7.924 18.334 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 10.332 14.614 -18.800 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 -2.043 -9.202 0.608 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 16.666 -27.904 -15.322 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 -0.105 -11.554 -6.837 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 -3.071 0.681 4.009 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 7.724 6.020 -7.650 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 5.107 1.056 23.446 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 -6.666 9.690 3.116 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 -19.876 23.846 15.444 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 -21.588 2.438 -10.201 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 4.423 2.140 9.804 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 -12.368 -8.135 1.100 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 -1.030 -7.824 21.173 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 -3.236 9.939 -9.302 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 7.427 -7.593 -23.449 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 6.167 30.122 -13.209 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 -0.962 2.133 -0.402 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 -0.382 0.410 4.550 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 14.404 -10.634 -23.790 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 -1.351 -4.492 -5.954 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 -17.195 -12.031 -5.078 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 -10.321 7.913 12.711 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 2.936 1.831 2.811 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 -44.926 -17.394 4.459 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 34.325 -19.042 -1.601 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 0.662 -3.349 -0.237 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 2.476 -2.917 -7.801 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 -14.854 -6.058 22.574 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 2.204 7.957 -1.859 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 20.167 7.930 1.036 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 2.854 2.899 0.386 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 4.166 -0.092 3.680 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 -4.609 -16.580 -11.051 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 7.161 0.194 9.138 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 1.233 -0.392 -8.862 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 16.682 12.672 10.181 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 8.721 -13.262 2.156 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 -0.746 -0.641 1.144 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 -4.823 -2.123 -0.407 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 8.573 4.022 -4.443 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 -6.964 -8.022 -2.658 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 5.242 11.093 -11.640 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 -8.782 -0.891 -12.370 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 0.126 2.555 4.922 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 -2.478 7.977 10.044 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 1.234 -1.471 5.043 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 3.939 -0.385 4.785 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 -3.691 0.534 4.907 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 12.174 -5.735 5.204 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 0.294 0.458 -0.374 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 8.078 -2.853 -7.707 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 -3.473 5.398 -10.840 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 -3.576 1.045 6.567 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 12.741 -13.843 6.986 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 -14.189 -0.199 -19.161 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 3.274 -6.516 0.869 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 0.607 -2.576 28.368 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 0.366 -10.091 -1.290 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 6.299 5.828 1.695 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 -9.156 -13.454 -2.048 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 10.327 5.497 3.706 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 -4.426 1.689 -0.910 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 -18.174 6.584 4.688 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 -8.248 6.373 -3.172 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 4.019 3.834 -3.477 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 9.704 0.140 4.508 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 5.150 -1.264 -8.297 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 2.997 -0.693 3.800 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 13.292 -0.782 -11.550 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 2.623 -4.143 -8.458 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 0.379 1.862 -2.407 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 6.467 -13.990 1.526 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 7.884 11.843 -7.543 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 -7.455 2.274 1.407 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 -10.661 -0.271 2.933 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 -6.112 2.934 -7.806 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 2.666 3.070 -4.507 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 9.804 -6.783 5.027 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 -0.996 15.513 -7.390 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 1.722 2.205 1.723 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 -0.725 -1.999 1.802 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 3.917 -1.936 7.357 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 -0.282 3.039 -1.991 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 20.997 -14.922 -1.024 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 -7.378 -6.588 -11.024 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 -0.356 3.235 4.571 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 -19.763 3.295 7.300 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 29.205 23.576 16.542 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 -6.497 -2.401 -3.191 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 -37.052 -2.407 3.774 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 -1.971 -5.621 -5.318 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 0.044 -5.106 10.711 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 21.604 -36.113 -3.837 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 -21.842 -30.622 -13.166 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 1.669 4.211 0.966 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 1.777 4.496 1.694 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 1.903 4.251 2.144 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 -5.742 -2.727 0.210 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 3.653 -2.235 1.873 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 -1.381 -2.493 -18.625 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 3.673 -0.266 7.798 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 7.806 2.693 14.098 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 -2.597 2.356 5.111 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 -7.668 2.165 2.320 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 -9.932 2.420 2.560 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 16.868 0.434 -1.874 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 1.720 -0.889 2.561 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 -1.269 -13.239 2.274 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 15.850 0.880 23.852 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 5.192 2.471 1.084 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 -1.054 -4.283 5.549 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 10.166 12.953 5.491 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 5.899 2.855 -8.540 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 -1.041 -17.148 -8.657 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 15.542 6.965 -3.349 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 5.927 -1.148 -7.823 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 7.503 -9.588 -7.162 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 -1.971 1.899 -8.278 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 -0.110 1.235 6.196 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 -4.068 5.876 16.869 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 -4.825 -4.085 10.649 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 -1.026 3.065 7.072 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 -23.621 -11.654 -6.231 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 -27.971 -8.561 -0.623 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 -4.856 -6.095 -3.397 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 -0.103 4.775 -4.780 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 -1.790 6.976 -13.926 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 9.564 5.551 -1.724 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 10.099 10.686 -20.454 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 20.664 0.819 6.507 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 1.601 -1.896 -0.721 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 -14.693 -13.287 12.353 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 2.925 1.799 -14.423 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 2.241 3.479 5.698 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 4.118 19.671 23.077 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 -23.612 19.267 9.475 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 9.548 -0.457 -3.881 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 10.853 -3.951 -2.886 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 7.166 6.492 -4.449 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 0.950 -0.264 2.685 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 9.556 0.449 -1.789 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 -8.564 -3.187 12.632 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 10.006 -7.336 -0.837 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 0.092 -0.619 -2.557 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 -13.698 10.558 -11.246 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 -0.257 -2.589 4.490 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 -8.498 -4.733 11.407 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 5.506 -13.109 -3.133 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 -1.805 0.897 0.815 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 8.476 17.726 -10.980 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 -1.396 -14.051 -35.329 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 -0.175 0.264 1.879 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 0.401 16.896 -8.129 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 -14.268 -11.087 -2.996 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 -9.474 10.019 2.430 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 14.987 19.852 -2.368 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 0.695 11.651 -0.747 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 -6.571 -0.120 8.630 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 3.518 2.985 20.987 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 -10.208 -7.943 -9.148 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 1.856 -8.624 -3.587 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 16.710 -18.427 7.735 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 -2.804 -8.308 -0.160 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 0.918 -6.686 -0.778 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 23.270 -5.554 6.719 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 -0.137 -19.998 -11.079 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 -4.433 8.275 -1.928 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 4.670 -17.208 -2.888 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 -3.539 -14.206 4.829 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 1.094 0.464 6.052 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 5.332 -28.314 3.813 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 17.017 26.486 -0.293 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 1.771 -1.589 -0.427 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 2.467 3.470 -7.188 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 -2.828 1.391 3.722 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 0.984 -1.790 -0.505 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 9.547 -24.025 -11.300 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 10.749 3.074 4.345 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 -0.116 1.236 -0.849 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 2.126 0.684 4.683 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 -4.993 3.353 -0.001 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 0.287 0.294 1.510 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 -2.434 11.519 18.562 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 -7.677 -14.949 6.193 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 0.588 -3.731 5.912 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 6.607 12.499 -24.900 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 8.786 -19.079 0.385 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 8.877 5.999 -0.509 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 7.653 8.291 -6.285 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 3.355 14.742 8.898 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 -5.448 -6.318 -5.911 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 -6.500 -22.309 8.073 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 10.234 -8.491 -22.620 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 -2.651 0.615 0.322 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 10.343 -9.353 4.219 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 -1.243 -0.044 7.402 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 6.149 -0.549 1.462 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 4.916 -12.353 -25.291 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 -0.325 2.633 8.219 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 1.653 -0.249 -5.480 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 12.494 -5.750 6.658 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 -3.307 1.654 -6.851 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 -3.286 1.095 -4.003 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 -33.762 21.732 15.639 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 -12.816 31.468 2.342 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 -2.518 -1.887 3.496 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 -6.038 -5.102 5.530 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 2.364 -8.161 3.238 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 -3.289 4.649 0.276 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 -2.800 10.845 -14.299 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 -2.466 12.173 -18.398 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 1.223 -7.166 0.946 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 2.760 0.820 0.748 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 4.189 1.200 -0.478 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 -1.508 -5.786 3.907 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 5.397 3.298 8.340 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 4.995 -0.588 7.179 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 -4.260 -1.982 -3.622 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 -9.876 -0.210 -6.291 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 5.011 3.393 -9.022 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 -3.213 -1.936 5.389 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 -7.780 -17.742 3.755 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 20.626 8.683 5.001 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 -0.565 0.835 -2.234 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 -19.497 5.984 -6.766 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 2.946 8.622 15.498 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 1.033 0.456 -0.897 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 -3.855 6.190 5.756 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 -5.933 -4.097 -7.086 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 5.308 -3.608 -7.647 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 16.217 18.942 28.414 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 -21.437 11.733 7.287 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 0.435 2.010 -2.295 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 5.936 -3.109 -13.547 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 2.305 -0.452 -1.554 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 -6.810 -5.564 -1.537 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 -18.848 -5.510 -8.494 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 -10.676 -8.736 4.501 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 4.849 -0.942 -9.123 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 -21.393 -0.162 -7.972 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 31.975 -3.449 -9.443 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 -6.235 -0.044 -8.653 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 -10.851 -3.080 1.881 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 -2.035 2.680 -11.671 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 5.643 1.781 -2.785 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 10.450 18.956 -13.229 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 -9.796 9.839 6.843 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 -1.763 7.625 3.383 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 15.542 7.364 2.759 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 21.718 12.855 6.411 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 0.226 -1.620 4.077 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 -8.324 -5.023 -10.167 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 9.008 3.558 17.266 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 5.492 -8.647 6.004 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 -15.446 -10.515 -8.848 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 2.623 -7.500 3.641 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 0.652 4.346 -2.381 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 5.679 15.336 -0.813 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 -2.768 -6.105 -16.531 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 -3.430 -5.432 -5.721 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 -6.328 -4.486 -3.363 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 9.168 -18.070 -23.415 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 -3.097 0.792 0.356 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 -5.772 3.691 1.129 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 23.586 23.932 -26.287 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 7.663 3.691 -0.618 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 15.829 7.653 5.572 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 0.226 0.371 -7.398 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 -7.217 -0.744 -1.886 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 -3.318 -11.006 -23.178 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 -7.666 -4.383 -6.728 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 1.440 -6.547 4.822 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 12.510 6.946 -0.773 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 -14.258 -3.879 21.573 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 -11.498 -2.641 0.997 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 18.285 14.232 7.746 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 21.250 13.462 11.654 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 -3.852 -5.441 4.160 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 14.637 -6.641 13.637 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 8.425 -13.395 3.725 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 -1.074 1.843 4.694 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 -7.519 -4.136 18.505 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 -1.445 -10.757 2.354 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 -2.133 1.834 -3.655 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 -1.861 6.165 18.755 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 -11.322 -8.601 -2.822 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 -3.359 -4.991 -4.218 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 13.814 -3.236 -7.421 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 15.504 -18.082 -7.209 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 5.690 -3.030 3.834 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 5.714 -2.884 13.975 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 3.126 2.790 11.303 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 -0.303 -0.633 -3.597 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 -6.048 15.551 13.258 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 -9.367 -8.981 6.372 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 -5.308 -2.073 4.705 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 -3.903 -0.348 -1.694 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 -6.170 -5.516 19.842 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 -2.631 8.328 -8.353 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 16.355 9.399 -4.294 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 -1.345 14.482 -5.985 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 -5.701 0.851 1.571 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 8.725 2.980 10.661 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 -12.952 3.271 -9.647 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 0.688 -8.681 -1.594 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 -4.639 -0.618 4.637 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 8.426 -1.935 -13.715 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 1.769 2.437 6.632 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 -0.877 -4.213 4.618 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 -1.571 30.575 7.439 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 -3.563 0.785 1.654 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 11.275 15.868 -16.645 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 -29.488 0.830 -9.443 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 3.874 2.420 3.640 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 7.927 6.846 2.275 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 8.969 -10.471 27.685 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 1.373 5.528 1.902 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 -0.544 2.070 -1.393 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 -0.426 9.863 3.096 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 -3.218 5.388 -0.623 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 -2.200 -5.872 8.425 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 -4.361 -21.311 1.347 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 -1.538 0.762 -2.627 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 -5.474 -17.682 -10.763 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 -3.735 5.101 -0.999 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 2.411 -0.533 4.695 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 -0.601 -6.618 0.116 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 2.580 5.326 9.597 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 -3.836 -2.062 0.435 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 -4.902 20.944 9.494 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 -2.138 1.315 1.131 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 4.178 -2.761 -0.413 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 -2.927 -5.806 -5.829 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 4.486 4.530 12.574 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 -1.248 0.620 2.526 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 11.706 -4.194 -3.853 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 16.936 5.891 11.164 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 2.361 2.175 -0.130 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 1.317 4.533 -3.168 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 -8.235 -0.651 -15.409 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 1.858 1.821 -0.738 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 1.503 2.485 -3.219 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 -2.532 7.171 -11.200 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 3.541 5.873 -3.521 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 24.427 -11.419 2.637 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 9.559 0.369 -0.403 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 -3.882 -1.324 2.374 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 -7.183 34.336 1.170 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 5.194 -4.093 11.662 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 -2.034 0.745 -2.520 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 -1.285 -18.824 -14.788 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 -2.305 5.776 -3.456 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 -7.818 0.048 1.305 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 3.593 -8.771 32.266 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 17.716 11.843 0.685 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 0.494 -2.650 2.936 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 -11.392 -3.989 1.225 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 5.121 -17.337 1.064 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 7.453 -4.883 -0.045 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 -10.262 6.227 6.881 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 -8.167 -14.752 36.317 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 -0.129 0.118 2.791 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 6.143 -8.117 5.274 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 -29.167 13.341 -8.477 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 1.263 -7.648 -2.390 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 0.752 -6.040 -2.684 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 4.059 22.763 19.386 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 -2.238 0.716 -3.659 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 17.737 -7.163 3.428 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 -2.964 3.150 -14.844 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 -1.785 0.109 0.204 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 4.589 1.760 4.519 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 4.244 0.317 0.962 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 0.760 4.535 1.602 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 -0.598 2.555 2.217 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 2.146 -3.687 1.882 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 3.331 -4.868 -2.487 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 8.318 -8.709 -0.004 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 -10.199 7.319 -11.519 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 -0.714 0.588 0.726 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 13.484 -4.428 -12.484 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 -38.480 7.190 14.952 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 5.144 2.229 7.080 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 3.642 2.560 3.232 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 -0.244 15.149 3.161 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 2.283 1.540 6.700 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 3.906 17.245 -23.370 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 11.905 -22.862 30.710 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 -1.783 -3.932 -3.032 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 3.000 3.768 -8.585 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 -18.178 -24.931 11.217 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 1.720 -4.067 6.122 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 12.340 -7.312 14.292 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 -0.544 11.202 -7.927 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 0.573 0.775 3.237 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 -25.560 24.569 -0.807 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 -9.065 -0.048 5.307 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 -1.306 -0.602 0.582 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 -3.784 21.454 17.763 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 -4.170 5.850 -1.260 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 -4.782 0.045 5.129 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 -5.105 1.536 -19.713 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 -21.654 -12.273 13.698 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 -1.871 3.826 2.791 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 0.759 6.320 11.881 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 4.360 -6.741 -5.158 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 -0.908 7.958 -2.877 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 2.384 21.096 -2.458 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 -10.527 8.091 0.017 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 -1.744 0.982 0.806 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 -8.087 -5.639 5.367 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 3.327 16.291 10.115 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 2.406 -0.798 -4.223 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 -19.868 -5.271 11.484 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 2.735 -1.215 -5.108 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 -1.413 -2.907 -6.463 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 -2.291 -0.594 -4.855 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 -8.225 -8.218 -2.171 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 -2.361 -3.343 -4.316 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 -0.824 2.544 12.076 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 -6.449 4.361 -10.755 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 4.482 -6.342 -2.230 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 10.433 0.829 24.030 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 -14.499 11.023 -16.897 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 -0.062 4.119 -1.666 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 -2.512 2.268 -1.875 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 7.857 -26.004 -6.404 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 -4.939 0.510 1.180 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 -26.801 12.895 11.617 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 31.350 -10.827 -2.410 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 -1.195 -0.976 -2.851 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 -3.146 3.328 1.081 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 -4.396 2.467 22.495 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 1.972 2.914 -1.527 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 7.649 -0.749 -4.825 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 11.623 -26.822 13.510 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 0.375 4.629 2.166 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 -14.669 4.234 4.699 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 -1.388 16.278 5.796 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 -1.830 -1.645 -0.397 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 -0.095 -1.044 3.826 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 -1.278 -4.306 -1.150 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 4.812 -5.006 -2.006 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 -7.494 -21.788 -5.349 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 18.120 -16.263 -13.868 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 1.696 -0.899 -9.253 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 -7.178 -0.861 -9.849 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 12.285 -2.351 -10.754 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 0.525 1.182 5.355 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 -17.845 15.414 -0.732 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 25.432 -17.474 21.577 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 -6.466 -0.142 2.306 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 1.397 18.138 3.467 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 -37.006 -2.596 50.683 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 -0.002 8.217 -1.764 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 -7.810 14.015 -12.263 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 1.213 2.868 40.474 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 -0.206 2.574 -1.476 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 -29.304 -3.566 -35.222 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 11.929 15.120 19.790 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 1.429 5.007 -2.714 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 7.528 -11.623 -2.840 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 -6.607 2.382 16.529 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 3.664 -1.280 1.041 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 0.120 2.113 23.571 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 -3.382 -17.618 -7.536 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 -4.483 6.015 -1.892 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 8.209 10.200 11.623 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 1.713 -7.447 -2.041 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 -6.310 3.065 6.000 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 12.686 -4.605 17.583 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 -22.394 12.406 4.912 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 -1.749 -4.375 1.398 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 6.773 3.833 -11.294 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 -24.384 -7.246 -19.133 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 3.144 -0.707 -5.795 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 15.541 -3.681 3.533 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 -15.560 3.445 -18.344 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 -5.814 5.333 4.802 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 6.630 3.315 19.516 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 -16.712 2.184 -8.686 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 0.378 -2.754 1.714 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 -27.533 1.822 -12.631 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 24.337 -13.013 -22.349 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 -2.609 -4.544 -1.181 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 0.453 -26.609 5.015 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 0.042 7.375 -3.721 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 0.573 4.957 6.675 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 -6.285 -0.691 7.625 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 2.291 13.798 -22.399 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 -3.985 -0.233 -5.475 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 -13.690 -6.326 -25.621 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 5.743 -1.519 13.137 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 -7.731 -2.866 -3.523 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 -1.047 -11.315 4.469 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 -10.981 -1.676 4.833 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 -2.023 -5.591 7.213 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 2.282 -15.195 0.027 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 -3.584 19.034 17.726 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 -0.419 -0.865 3.999 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 1.065 -6.907 19.095 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 6.324 -13.938 -3.009 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 4.570 -2.242 3.053 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 4.643 1.816 -5.371 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 5.558 8.033 -10.870 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 -2.079 -0.901 2.303 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 -22.044 25.489 -12.726 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 5.482 -10.483 3.203 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 1.102 2.836 7.877 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 9.547 -6.016 -2.136 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 5.218 -8.591 18.312 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 6.588 2.218 -2.114 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 -17.151 35.396 -5.777 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 -10.465 11.084 -6.889 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 1.412 -5.962 -1.953 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 0.393 -1.890 -0.523 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 -5.928 6.502 16.215 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 -2.432 4.183 0.436 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 11.819 -5.178 8.611 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 1.792 0.649 4.375 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 -3.374 -3.140 -0.894 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 1.254 -0.688 -0.957 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 -10.826 -3.571 0.398 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 0.252 -0.307 2.189 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 17.142 6.094 -1.391 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 -24.230 36.458 -0.346 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 -2.817 -2.321 -2.157 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 12.386 -2.002 -3.874 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 -5.394 -10.481 3.405 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 0.583 11.947 4.501 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 18.168 19.931 2.058 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 -26.670 -28.578 4.633 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 6.561 0.644 6.020 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 2.674 15.780 7.203 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 6.766 -6.807 4.932 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 -6.215 0.303 5.357 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 17.730 -5.484 -7.034 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 24.477 -26.837 -26.843 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 4.428 4.435 -9.103 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 4.610 13.197 18.630 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 2.810 6.206 5.933 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 -0.343 4.698 -8.360 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 16.992 -0.459 8.538 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 26.106 -18.505 -20.214 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 -0.150 -2.844 2.141 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 5.974 -11.293 -5.542 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 -3.873 15.185 1.122 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 -1.414 -0.287 -7.485 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 20.297 20.187 3.726 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 22.726 4.321 16.963 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 -8.786 5.516 -0.565 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 -0.504 -7.511 -26.928 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 -4.343 -7.860 1.875 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 -1.180 0.384 1.449 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 5.055 4.875 15.267 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 5.966 -3.104 6.834 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 -4.313 4.401 7.271 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 1.289 -19.695 -5.313 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 -17.298 38.130 27.641 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 1.141 4.638 -6.569 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 8.424 -0.898 -3.825 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 -16.425 -5.281 -9.743 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 -4.610 0.209 1.550 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 -1.183 19.593 -5.871 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 -11.088 -24.881 2.019 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 -4.755 0.108 1.747 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 -18.304 11.041 -9.224 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 3.322 2.680 16.240 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 6.682 0.585 -1.588 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 11.205 -2.186 -0.881 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 -1.816 6.600 -2.200 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 -3.002 2.124 -3.104 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 -4.463 2.876 -7.624 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 -5.735 3.815 -9.215 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 -0.139 0.450 -1.040 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 -2.853 34.315 10.110 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 5.396 7.061 0.738 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 1.527 -1.403 -3.128 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 9.442 -1.250 -2.650 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 2.438 27.858 -9.795 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 6.433 -4.519 4.268 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 20.459 5.960 11.761 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 2.821 4.218 -0.961 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 3.309 2.650 1.972 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 16.871 -5.622 6.613 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 4.946 6.306 5.324 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 0.631 1.269 -5.108 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 10.027 6.046 -5.193 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 -9.084 13.972 -7.393 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 2.925 -1.995 0.330 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 7.438 -12.069 1.649 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 18.629 -10.513 0.757 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 1.209 6.039 3.670 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 -8.497 8.914 14.414 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 6.979 8.673 -3.887 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 -4.103 7.817 4.125 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 -16.155 10.955 -16.913 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 13.376 8.059 0.858 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 -0.963 8.291 4.107 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 0.419 4.333 12.536 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 -17.099 10.398 -13.345 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 -0.302 -3.439 -5.003 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 -29.005 2.797 -18.808 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 15.730 -2.062 20.410 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 -2.918 -2.176 3.834 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 3.905 -8.356 5.873 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 -11.186 -7.631 3.625 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 6.294 -5.021 -0.579 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 24.609 6.429 0.500 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 -1.605 -2.633 17.500 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 -3.102 -2.084 -0.901 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 6.291 -7.359 16.151 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 -2.628 -5.036 -5.244 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 4.875 -2.744 -0.128 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 17.962 -6.212 0.923 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 20.023 -3.445 -5.423 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 -0.532 -1.180 -2.179 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 17.111 1.357 -4.718 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 0.749 -18.041 -15.263 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 -2.240 3.532 -2.667 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 1.817 -4.028 14.140 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 5.118 -5.179 -20.523 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 -0.617 5.362 -4.659 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 12.994 7.857 -0.095 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 11.752 11.553 14.475 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 -2.718 -7.801 -5.596 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 -8.410 -20.178 -1.718 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 1.030 18.624 -11.716 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 -0.554 2.974 0.568 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 -26.344 -3.555 9.026 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 -13.545 -1.542 6.435 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 0.183 -1.300 3.162 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 11.255 4.664 9.398 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 -1.497 -16.388 1.263 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 -2.965 3.762 0.090 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 -1.205 -5.263 -0.847 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 -9.212 1.755 0.799 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 -2.460 0.175 1.453 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 -19.726 8.580 -13.271 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 -6.387 -0.319 20.696 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 3.712 2.559 1.815 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 5.460 -23.057 8.391 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 5.476 -9.343 7.621 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 4.799 1.215 3.518 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 -2.195 -3.857 -1.607 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 -15.306 -3.818 -24.036 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 -0.568 -2.698 6.359 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 8.068 -4.645 -6.413 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 -14.690 -23.682 15.398 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 -0.428 2.794 1.111 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 9.930 -19.854 27.760 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 22.472 -14.381 -18.287 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 -5.914 5.304 -0.069 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 -8.537 3.145 -20.708 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 -1.113 -11.996 2.291 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 5.716 -1.670 -7.268 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 9.225 2.449 -9.137 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 -3.650 7.238 -13.136 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 -5.387 -2.483 -5.771 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 -27.308 12.428 16.591 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 -7.667 28.129 -24.841 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 -1.148 -3.149 0.613 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 -15.165 -3.499 3.903 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 25.540 -2.658 -5.360 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 -1.945 7.828 1.795 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 12.765 2.492 -6.691 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 -12.084 2.482 -0.143 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 5.035 3.716 -2.919 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 2.719 2.278 -12.793 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 -9.747 10.010 -12.190 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 0.590 -4.885 0.919 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 4.784 0.960 -5.028 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 4.456 -6.554 12.427 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 1.354 5.093 -1.688 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 2.032 2.248 -1.152 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 -7.020 16.649 -7.818 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 -3.632 6.314 -0.539 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 -9.635 6.409 11.829 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 1.524 2.300 2.328 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 -3.821 7.772 -3.995 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 13.431 5.366 -22.870 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 -0.672 15.523 -5.220 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 1.785 1.079 -1.520 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 5.995 2.267 -15.635 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 -6.002 -12.082 3.052 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 3.543 2.703 -4.265 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 10.818 -8.946 -17.746 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 1.015 -3.247 -18.773 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 0.433 -4.292 -5.806 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 20.028 -13.435 -17.790 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 -15.865 5.841 5.451 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 -6.747 -1.266 -1.865 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 -2.920 -9.906 0.591 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 24.533 4.786 -6.364 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 5.592 4.627 -1.683 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 -8.014 -8.030 -5.990 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 4.105 3.730 -2.068 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 1.404 -1.318 -2.113 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 -5.226 -2.026 -0.971 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 13.754 12.668 7.321 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 -3.206 4.014 -1.153 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 -17.291 16.249 -11.051 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 2.309 1.517 2.303 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 5.335 8.543 -0.421 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 5.333 -7.251 11.268 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 -8.599 3.219 4.800 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 6.820 1.492 -6.043 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 -3.821 8.708 -23.165 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 10.789 9.495 11.089 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 -2.938 -0.859 1.461 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 -11.727 -9.914 -9.232 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 -7.055 5.696 22.382 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 -2.974 4.188 3.468 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 -8.101 -5.673 -5.315 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 -2.802 -4.251 -5.236 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 5.479 -0.866 -0.166 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 -15.408 3.613 3.066 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 -21.712 25.377 4.724 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 3.256 -1.585 -1.634 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 -8.567 -4.483 3.730 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 15.452 14.697 -7.081 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 0.835 -6.247 -1.473 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 -26.524 -3.721 3.768 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 -6.145 -13.520 -0.479 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 -0.743 0.948 4.805 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 11.645 -3.871 5.208 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 18.897 27.460 -1.426 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 -2.372 5.015 7.708 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 7.106 -29.007 -15.952 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 -6.531 7.965 6.496 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 -0.429 7.141 2.343 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 5.389 2.778 -1.280 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 10.821 -8.901 3.492 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 11.682 -3.542 4.057 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 -11.457 7.912 -7.374 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 -3.227 -19.366 14.629 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 -3.454 7.269 -3.546 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 -7.233 -6.811 18.969 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 0.761 -14.549 5.735 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 3.049 6.291 0.386 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 9.775 3.465 -7.466 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 22.437 27.593 -11.524 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 -1.649 -7.432 -4.582 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 -5.854 5.110 6.442 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 -1.611 6.633 -7.229 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 -0.033 -4.865 3.373 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 27.662 17.082 2.639 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 -11.289 -1.301 -13.351 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 -3.344 -1.331 2.399 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 -16.826 -3.147 18.400 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 -5.232 -5.574 -1.558 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 -2.710 0.650 -4.154 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 15.018 -6.005 -12.303 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 -14.045 2.811 -20.997 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 -2.178 0.295 -1.423 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 -6.033 -3.560 -6.389 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 1.736 -3.740 4.981 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 -5.180 -3.292 -5.118 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 3.110 8.191 -14.754 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 -35.128 -31.236 -17.118 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 -4.835 -4.877 -1.606 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 32.569 -4.767 31.094 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 -8.195 -0.611 7.476 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 -1.209 -6.049 4.307 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 -12.135 -10.107 -9.351 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 11.309 -11.893 -0.965 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 -2.546 -2.930 5.639 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 -18.521 -1.949 32.650 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 -4.270 15.471 -7.219 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 2.885 1.924 0.635 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 12.358 2.294 -7.218 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 -15.577 -2.342 7.953 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 -0.161 3.513 -5.128 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 -0.633 -15.285 -4.213 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 -5.982 32.960 -2.288 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 -6.775 -1.455 -2.081 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 19.823 3.329 -24.225 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 6.460 -8.545 -16.487 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 2.516 2.608 3.374 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 7.247 -11.424 10.126 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 -8.224 18.778 1.334 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 6.241 -1.431 -0.212 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 0.914 8.611 -6.337 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 12.172 16.449 -2.829 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 -1.438 -1.897 -0.314 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 -5.933 -27.971 13.144 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 8.680 1.481 -11.693 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 -8.890 -4.125 -2.251 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 -6.140 -9.907 9.897 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 -8.262 2.188 -6.955 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 -0.650 -2.573 -1.491 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 13.788 3.446 9.413 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 -11.548 4.393 10.374 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 -1.143 2.385 -3.172 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 -0.816 4.140 4.265 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 -8.059 -4.580 -1.088 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 3.869 -9.494 6.431 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 -1.056 -16.419 -6.459 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 -8.099 -1.354 11.324 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 0.019 6.782 1.588 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 8.676 -11.455 -7.124 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 -1.552 -18.972 -12.788 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 6.985 -1.920 -2.724 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 -2.970 21.753 -21.663 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 15.914 -1.497 -16.259 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 10.438 2.474 -4.730 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 4.592 2.172 -5.895 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 9.630 4.213 2.360 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 -4.708 -1.040 -4.894 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 -19.897 -6.488 3.929 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 -2.490 -13.318 16.375 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 -4.173 -1.483 -0.484 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 2.069 -3.202 -7.295 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 -7.012 -6.423 3.563 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 -3.960 -1.223 2.247 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 2.539 4.950 -9.289 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 -5.460 -0.573 4.689 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 2.995 2.920 -7.068 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 4.974 -0.039 -3.443 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 0.416 -7.807 19.387 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 -4.558 1.931 3.502 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 5.557 -2.087 12.039 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 -4.911 2.497 -5.214 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 -2.637 0.746 -1.118 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 0.321 1.201 1.962 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 3.374 6.134 4.931 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 -2.632 -1.080 0.995 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 12.625 1.986 4.114 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 1.121 -8.341 -6.592 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 -0.599 0.533 2.014 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 -11.412 -9.972 15.672 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 -8.284 2.385 25.182 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 -3.618 -3.168 -2.045 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 -14.165 -13.149 -13.537 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 13.722 -9.725 30.103 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 -2.325 -2.487 0.062 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 10.301 -26.992 -15.195 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 16.886 11.210 1.151 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 8.523 2.781 4.492 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 5.368 -10.192 -16.693 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 8.297 2.193 5.738 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 1.049 3.377 -2.771 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 4.225 4.169 -4.209 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 -4.844 1.530 0.492 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 8.679 -2.024 2.295 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 7.669 -4.301 -30.786 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 33.622 -15.756 11.098 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 -4.643 -4.135 1.489 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 -7.365 -15.961 -4.006 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 -1.544 -8.179 13.580 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 -1.972 -3.931 6.433 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 -3.794 -11.637 0.092 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 -11.419 4.573 7.859 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 1.442 6.768 -0.683 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 -5.281 34.332 5.087 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 -2.651 -5.427 16.481 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 1.922 1.797 3.770 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 -1.663 -4.476 24.799 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 -13.744 -5.034 18.597 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 4.582 -2.799 -1.044 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 2.153 5.989 19.061 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 12.879 -3.358 12.023 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 2.194 -3.088 -5.755 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 7.919 -4.579 -21.557 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 -19.302 9.131 -4.332 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 -6.549 0.852 3.594 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 -1.504 3.258 2.771 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 -41.804 -14.125 10.187 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 -2.262 -3.155 3.583 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 -29.697 -5.455 -3.037 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 -8.921 3.757 8.116 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 -2.341 -2.090 3.089 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 -12.416 -4.340 1.458 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 -9.193 31.920 -13.822 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 -1.155 0.621 -2.411 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 -8.664 3.289 -8.403 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 12.505 7.695 13.527 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 -0.579 -4.027 -3.886 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 -2.698 -9.746 -14.504 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 -14.237 13.482 -3.310 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 3.470 3.722 2.615 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 4.896 9.414 0.719 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 9.903 11.225 -4.316 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 -3.586 1.996 -6.652 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 -8.987 3.296 21.570 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 5.350 -7.360 3.015 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 0.587 0.224 7.338 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 -10.882 19.086 18.434 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 -6.469 6.385 -2.791 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 1.190 -2.108 -5.220 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 -3.426 16.926 -10.020 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 4.824 -6.439 12.058 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 -1.280 -3.700 -1.170 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 19.074 -0.370 -10.070 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 -18.938 3.986 -14.871 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 4.818 5.167 1.954 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 1.219 -24.959 0.274 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 11.509 4.847 -2.932 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 6.630 -0.611 -2.634 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 15.293 -8.182 13.096 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 28.469 3.871 -3.550 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 2.450 0.139 -1.035 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 -0.077 8.825 10.258 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 3.276 -12.894 2.674 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 1.914 -1.454 -1.372 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 -3.228 -0.778 16.364 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 3.314 -12.563 -7.853 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 3.041 2.097 -6.544 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 10.867 -13.550 -4.547 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 -2.567 7.209 9.307 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 -1.468 0.298 -3.307 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 8.904 -3.497 2.467 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 0.138 13.068 -4.991 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 1.100 0.086 -0.655 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 -0.631 1.044 2.119 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 1.433 8.993 17.733 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 -7.312 2.018 5.355 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 -2.680 -19.322 -22.685 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 -22.598 -6.860 -6.736 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 -1.015 4.812 0.304 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 0.365 -0.534 -1.370 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 -5.328 7.340 -10.700 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 4.380 -2.056 -0.543 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 -0.447 1.666 -24.953 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 -15.786 -16.574 -0.188 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 0.362 3.791 -0.986 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 -4.983 7.894 -0.300 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 0.482 11.949 24.303 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 1.121 -4.924 -0.006 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 -13.815 -11.578 -3.409 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 -1.222 -12.560 17.289 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 5.068 5.838 0.883 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 2.648 4.730 -12.369 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 8.723 -8.017 6.322 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 -5.018 3.109 -0.448 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 -35.287 -18.551 -15.164 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 -18.791 -2.253 -3.024 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 0.504 -2.901 -1.737 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 25.905 4.770 -20.064 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 3.747 11.249 3.375 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 -0.483 -1.518 -1.335 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 -9.707 -10.217 0.965 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 14.734 8.340 11.404 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 0.960 6.580 0.023 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 -2.041 11.140 2.011 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 5.363 -17.429 -4.110 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 -4.220 -6.700 -2.617 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 17.208 -7.888 -5.768 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 -6.679 -14.265 -11.843 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 1.244 0.711 -3.451 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 8.214 -0.269 15.985 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 10.265 -11.309 5.328 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 -0.757 2.811 4.110 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 13.174 3.953 8.015 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 -0.393 14.256 -8.665 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 5.714 -5.625 -0.873 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 3.083 17.224 26.995 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 -4.324 0.990 -4.447 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 -1.385 -1.706 4.993 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 6.302 8.070 5.108 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 -10.893 8.225 4.249 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 4.552 -3.032 -3.605 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 10.346 8.469 14.958 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 29.698 -14.878 -4.059 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 1.813 -1.552 -5.210 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 -5.829 15.141 -7.591 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 -12.013 -5.504 -11.431 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 -7.947 7.148 -0.316 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 -13.933 7.622 -1.255 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 16.002 -1.115 5.082 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 1.965 -1.653 3.342 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 -13.697 0.661 -11.473 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 8.300 -7.488 -8.737 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 1.179 2.092 -0.883 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 -6.391 -4.805 12.300 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 6.701 -5.352 1.281 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 -0.999 -1.017 -2.924 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 -3.817 -1.962 -8.180 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 -15.505 -1.744 -34.912 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 2.810 -1.198 1.204 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 -0.425 -0.407 -3.460 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 -1.038 16.659 -37.654 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 -0.644 3.927 1.602 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 -10.363 -1.203 -1.823 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 -25.578 -15.625 16.086 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 8.577 -2.978 4.927 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 -2.051 3.942 2.941 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 -7.975 -1.054 4.792 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 2.647 -0.814 -0.331 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 2.283 -1.007 4.926 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 1.824 -2.929 -3.564 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 0.083 1.400 -5.518 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 2.631 -4.066 -3.208 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 12.246 -26.953 3.988 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 3.551 -1.229 0.924 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 8.697 0.351 -19.113 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 3.179 24.304 7.516 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 -1.536 2.831 2.503 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 -9.734 20.803 -0.473 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 3.824 -5.049 -25.452 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 -5.787 -2.084 -1.182 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 -26.947 7.371 -5.034 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 -8.158 13.416 7.959 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 2.595 -1.688 -5.338 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 21.343 -42.252 11.206 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 -0.385 1.162 2.087 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 -1.162 -3.158 -2.524 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 -0.133 -3.896 1.461 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 -8.809 -18.810 -22.979 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 3.753 -1.893 -4.987 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 5.704 11.443 14.002 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 8.050 20.458 27.304 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 0.248 -3.106 5.439 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 3.376 12.863 -11.680 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 -24.699 -18.481 -4.193 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 0.420 1.153 4.821 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 14.685 12.059 2.589 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 -8.727 6.768 -7.720 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 -4.162 1.975 -2.097 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 17.985 4.631 -9.433 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 -25.328 -7.104 -5.252 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 0.549 3.510 -0.271 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 10.149 2.278 16.659 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 -1.041 4.116 5.551 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 -6.545 5.939 4.248 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 -3.321 1.526 6.470 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 -9.083 6.270 3.423 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 4.955 -4.368 5.316 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 -2.436 9.320 -2.036 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 -8.676 -0.562 -22.376 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 1.644 2.916 -0.364 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 -2.419 8.279 -9.619 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 8.197 -16.579 10.190 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 -3.322 0.243 0.966 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 8.135 -3.158 -1.762 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 -2.899 -9.485 0.906 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 0.214 -4.491 5.704 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 19.910 -3.239 -4.559 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 -2.073 -4.849 6.195 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 1.822 -1.675 -8.770 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 18.228 -6.323 2.914 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 -4.200 -4.288 9.497 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 0.589 4.206 -1.303 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 0.718 3.267 12.388 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 -7.922 -6.555 2.928 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 4.142 4.983 -2.922 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 3.687 -10.104 -17.650 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 5.503 26.114 -11.523 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 -0.138 2.905 8.559 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 -1.583 5.617 11.906 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 2.333 -2.320 -6.453 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 5.385 -5.740 -2.990 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 19.336 1.743 4.833 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 -1.604 6.328 -12.853 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 5.893 2.280 -4.137 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 -2.336 2.678 -10.396 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 24.267 -10.769 -15.186 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 0.491 0.292 -1.050 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 -6.366 -5.256 -5.724 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 8.124 2.032 -8.320 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 -5.337 2.091 -0.516 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 0.828 -12.440 -4.472 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 -15.770 -16.758 -4.738 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 4.432 -2.749 -4.867 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 14.217 11.247 4.469 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 -4.717 -14.782 -14.117 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 1.229 -4.607 1.745 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 -10.532 -8.321 -7.764 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 6.354 -3.260 2.498 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 -2.267 -1.047 -6.635 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 -6.258 6.404 2.196 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 3.134 2.121 -17.261 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 5.516 1.143 1.316 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 -3.583 -11.130 22.829 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 14.206 21.228 28.103 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 -3.448 1.281 -10.261 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 -1.873 -2.317 -17.262 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 0.780 -3.389 -4.775 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 -5.224 5.791 -1.972 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 -39.229 11.372 11.836 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 -22.104 5.994 0.541 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 -3.123 0.664 0.664 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 -18.074 2.015 -23.046 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 -12.947 7.077 -21.833 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 1.557 -1.386 -0.117 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 -4.066 3.061 -1.999 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 -2.091 -0.237 -0.118 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 3.461 2.462 -0.798 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 26.897 6.583 -13.178 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 -11.275 -11.633 -15.728 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 0.235 5.202 -3.009 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 -9.805 -5.856 -0.218 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 12.684 4.729 6.754 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 1.775 1.948 -0.599 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 -24.693 -8.572 0.548 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 3.394 -13.144 5.741 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 -3.714 10.683 -8.310 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 13.367 24.917 -15.544 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 -7.464 3.691 -0.847 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 4.478 -4.450 1.814 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 -19.579 -4.370 -6.703 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 0.847 -2.010 10.257 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 -2.744 2.351 8.335 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 12.125 -5.628 3.870 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 -15.503 -1.695 -2.527 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 1.835 3.302 -0.285 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 -2.739 24.640 12.038 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 -4.522 -7.705 -4.385 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 -0.676 0.582 -4.065 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 13.661 7.221 9.783 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 -10.096 1.700 19.932 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 4.506 -0.748 3.434 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 -20.254 4.974 -3.463 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 -20.663 3.837 -4.168 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 -4.952 2.472 5.910 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 -9.498 -0.458 -3.923 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 0.467 10.137 -1.183 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 -1.853 -2.562 -4.130 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 2.375 1.910 -1.227 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 17.571 -9.665 8.037 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 4.867 -1.025 -4.320 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 -2.798 9.906 4.858 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 11.547 -2.116 -7.860 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 -2.304 -4.410 -5.809 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 2.586 -12.533 4.849 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 -5.108 -6.686 -2.399 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 -2.409 -6.147 0.590 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 -16.568 11.652 3.358 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 11.988 -6.451 18.461 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 4.483 -2.608 -2.535 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 -31.481 7.843 -10.979 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 -8.244 -4.243 24.224 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 -5.151 3.067 -0.972 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 -10.661 -9.151 0.668 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 -12.378 4.972 -11.114 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 -1.603 8.084 -7.143 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 -7.636 3.381 14.256 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 -19.834 4.316 -3.236 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 5.391 4.095 0.464 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 -3.557 4.108 0.676 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 5.562 -3.914 -1.683 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 4.685 -0.898 11.442 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 -6.339 -5.743 -3.119 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 -7.255 -21.325 -15.800 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 3.763 8.476 -0.418 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 3.402 0.950 -30.012 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 5.340 7.378 -2.955 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 -9.805 -2.617 -1.408 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 -9.286 -0.541 15.204 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 -2.850 -22.530 -7.613 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 3.562 -3.675 1.531 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 13.670 -6.840 -2.606 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 13.232 -6.304 -3.781 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 2.154 -3.247 -4.786 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 -1.043 -9.558 -19.375 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 6.255 31.161 -4.126 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 -4.018 -3.318 5.709 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 -14.149 -16.244 1.816 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 17.127 5.723 6.151 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 0.682 0.723 -2.650 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 15.285 -14.325 13.818 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 -5.736 -0.431 -16.813 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 -2.809 1.124 -5.789 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 -4.293 0.391 -11.169 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 -7.682 1.801 -1.399 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 -5.377 -2.245 5.733 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 -4.544 -11.160 9.461 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 8.380 -3.475 -3.831 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 -1.704 -2.361 0.940 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 23.065 -1.404 -15.658 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 -15.867 -16.767 15.820 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 -0.394 -5.769 -1.296 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 11.018 -5.806 -11.014 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 -3.268 6.258 4.822 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 -0.881 -8.616 -7.718 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 21.190 10.039 -20.966 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 6.495 -3.287 0.842 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 -0.061 -2.728 -0.346 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 26.171 -6.518 -4.633 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 -7.906 -9.426 23.769 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 0.580 8.061 3.979 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 11.108 -2.373 7.812 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 -7.886 -10.566 22.322 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 7.830 1.265 -3.027 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 -2.187 6.189 -7.283 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 0.670 14.092 -2.332 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 0.310 -7.139 -2.783 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 6.148 -7.447 6.007 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 0.418 4.579 4.529 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 3.278 -2.379 -2.602 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 2.185 3.653 -3.848 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 -3.287 -3.602 -1.253 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 -3.073 1.469 2.558 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 -8.574 8.114 -1.493 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 -5.703 5.554 -0.191 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 -9.734 -1.991 11.884 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 -18.619 -11.424 -13.120 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 -7.866 1.240 19.592 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 -4.074 1.041 -0.602 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 -14.772 3.000 -18.331 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 -2.002 -5.287 13.239 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 8.713 4.144 -4.525 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 10.690 18.205 10.922 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 0.805 -12.653 4.997 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 -2.961 -0.743 3.148 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 -5.412 -0.227 2.957 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 -4.980 -0.066 -5.075 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 0.076 5.403 5.199 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 -0.813 -27.795 -27.034 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 0.282 6.527 5.202 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 1.131 -1.212 -3.903 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 -14.253 -0.950 10.357 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 -4.628 -5.917 0.797 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 7.105 2.229 -0.937 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 19.961 23.617 28.403 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 3.527 6.203 24.562 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 -2.614 1.877 4.255 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 -2.878 2.205 4.849 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 1.408 -9.664 -23.935 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 -0.789 -4.398 1.621 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 16.086 -17.617 1.576 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 3.176 -2.845 -3.874 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 -0.819 -0.755 6.621 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 4.590 -5.789 6.660 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 24.488 17.905 -4.966 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 -5.027 -2.967 0.055 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 20.295 -13.594 -4.828 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 -22.947 9.623 3.356 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 1.254 1.220 3.144 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 7.690 3.571 9.407 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 -13.196 18.602 -25.434 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 -4.105 -1.511 8.311 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 -9.486 1.564 -2.772 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 5.543 -7.920 19.639 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 4.830 7.568 -2.049 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 7.379 -3.070 -4.972 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 8.349 8.285 9.314 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 2.254 4.047 -0.071 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 19.956 -10.869 -14.467 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 14.999 -1.271 2.896 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 3.453 1.155 -4.102 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 3.177 -4.050 -4.705 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 8.258 1.793 -2.390 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 1.471 -5.787 7.497 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 -6.557 -11.370 17.308 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 -7.532 3.492 -0.743 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 -2.960 4.109 -1.702 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 -13.090 2.741 4.560 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 9.716 -1.540 -16.001 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 4.543 -1.240 8.994 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 -25.333 12.457 14.031 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 -15.398 6.241 23.723 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 4.865 -7.404 -7.947 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 6.228 -11.885 -6.043 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 4.996 -4.087 -3.567 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 -6.476 -0.506 -7.312 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 -0.373 -3.913 8.747 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 16.142 -14.887 5.725 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 -2.003 0.555 -1.895 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 4.753 5.457 -12.908 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 -8.317 4.828 9.551 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 -7.974 5.088 3.330 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 -15.757 -0.499 -9.868 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 -16.122 4.882 -5.194 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 -2.534 1.229 -0.923 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 7.822 18.496 -5.414 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 8.921 16.155 12.886 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 -0.505 1.381 -3.813 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 -11.077 -4.632 -10.957 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 -10.959 -12.173 -8.563 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 -4.137 5.504 1.132 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 -20.525 -15.069 -26.785 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 -19.309 -14.531 -7.228 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 -1.453 -1.988 -2.752 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 5.680 14.886 -3.721 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 -11.647 17.534 15.515 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 1.208 1.813 5.075 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 -5.226 6.215 -4.541 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 -5.886 3.645 9.736 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 1.484 -9.489 -3.860 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 -7.751 3.685 -9.361 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 -10.964 9.840 -13.284 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 0.217 -2.321 -9.211 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 22.101 10.137 -10.941 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 21.906 3.168 -13.266 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 3.653 -3.659 0.266 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 14.537 4.353 -22.835 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 -7.648 7.356 -21.831 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 -1.667 0.025 7.302 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 -10.067 -16.515 -2.109 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 7.330 24.503 -4.100 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 -2.276 6.788 -2.035 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 19.051 17.167 -3.978 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 1.247 7.261 -2.453 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 -6.486 -3.300 -4.772 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 -18.237 -8.449 -10.764 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 0.979 -0.631 -1.227 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 0.693 0.285 -1.071 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 10.515 -2.908 14.661 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 -3.865 25.629 8.571 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 9.852 6.072 2.948 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 1.837 -8.454 -23.028 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 -8.749 -0.952 -5.671 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 1.577 -7.082 -1.799 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 -9.858 -11.646 11.137 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 11.679 3.505 -14.650 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 2.576 -0.602 2.525 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 -14.168 15.189 0.918 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 6.029 20.053 4.520 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 3.401 -5.915 9.410 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 0.804 -25.392 -12.496 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 5.987 -5.715 12.902 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 4.865 0.434 -2.195 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 4.824 2.744 -0.483 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 2.583 15.463 -13.855 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 0.925 -4.737 -1.156 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 -3.298 -4.587 7.292 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 1.021 -11.203 -6.302 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 -0.761 -6.011 -8.313 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 -8.580 6.919 14.523 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 8.525 8.072 -23.995 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 -4.694 -3.310 1.799 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 7.393 6.023 19.854 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 -9.649 -1.356 0.941 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 1.297 -0.418 1.296 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 -2.535 -1.052 -5.209 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 21.517 -11.575 -4.094 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 -2.104 0.026 1.006 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 3.653 -0.958 -3.613 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 -6.289 6.704 1.670 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 -7.138 -1.150 4.951 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 -23.729 17.938 -9.085 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 19.834 3.842 -4.415 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 -5.257 -6.171 2.622 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 -4.201 13.557 20.856 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 5.411 10.072 37.092 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 -9.914 4.350 1.123 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 -4.745 -20.415 -2.375 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 -14.972 11.280 24.518 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 1.253 -6.881 -0.503 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 1.829 -22.839 0.408 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 -4.023 15.511 -4.748 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 -0.876 6.411 3.743 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 5.628 4.443 3.259 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 9.093 6.821 1.157 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 -0.437 -1.061 3.045 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 0.603 -8.909 -0.539 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 -7.355 1.761 -3.902 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 1.275 -0.061 0.565 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 -7.038 -29.831 -3.465 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 -12.280 -18.938 11.478 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 -5.103 -1.978 2.282 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 2.480 -2.532 8.827 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 -2.734 -3.183 5.771 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 -3.658 5.882 1.150 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 -13.569 16.616 12.865 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 14.444 -12.324 14.006 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 8.329 2.565 0.046 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 9.353 -0.062 1.713 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 17.537 -0.273 -10.259 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 -2.239 -0.288 -1.836 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 -0.430 11.677 10.784 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 -22.257 -5.673 -9.242 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 2.928 -5.677 -2.411 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 23.114 12.412 26.841 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 10.523 -27.887 -17.696 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 4.855 1.239 4.056 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 -0.291 2.042 -13.589 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 -1.307 -5.436 6.475 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 -0.298 0.639 0.332 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 1.301 11.419 -8.967 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 6.553 -9.846 -4.857 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 0.668 -1.672 -2.192 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 -14.232 -13.823 -2.206 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 2.048 -1.154 9.894 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 -2.470 -4.443 -2.592 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 -3.557 -23.843 -26.346 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 2.843 -1.042 5.229 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 2.950 2.632 -0.719 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 2.041 -3.764 -22.666 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 12.255 11.794 -2.540 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 -2.275 -2.344 1.444 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 -12.493 10.320 16.223 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 -12.892 -5.268 -8.395 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 1.632 7.694 -0.266 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 4.738 9.501 -3.739 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 -11.504 -8.635 3.535 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 -7.550 -4.169 4.577 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 -2.207 -8.491 9.293 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 -2.693 2.880 2.869 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 7.361 -0.211 0.341 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 6.744 16.703 -12.426 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 32.608 -2.182 -1.131 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 3.448 3.509 -0.398 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 -10.809 -15.165 -13.080 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 -20.937 0.478 -8.550 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 -0.310 1.932 -3.682 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 -1.568 7.443 1.241 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 -6.003 26.216 16.082 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 -5.266 6.380 2.279 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 2.247 3.573 -7.273 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 2.679 15.260 4.522 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 1.009 -3.586 0.097 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 2.986 2.991 6.529 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 2.347 -3.439 0.686 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 -0.259 -0.735 4.456 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 6.555 -7.403 14.799 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 -28.421 -1.090 -0.357 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 1.159 -11.409 10.263 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 -18.356 -7.830 -6.002 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 11.584 -31.883 -8.527 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 9.588 0.274 1.064 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 6.107 -1.774 -1.422 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 2.105 -1.430 10.908 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 1.639 4.052 -1.974 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 6.532 -12.760 -4.675 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 -32.687 2.150 -6.190 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 5.219 -1.069 1.925 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 1.769 2.987 -2.006 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 16.721 -14.237 12.912 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 0.756 -0.727 1.922 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 5.725 -15.592 -0.525 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 -4.446 8.356 1.005 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 -4.576 0.154 0.481 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 -2.522 -6.085 -0.629 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 -17.274 5.814 18.216 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 -0.865 1.845 0.782 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 9.354 -14.763 -11.122 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 10.677 9.557 14.651 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 -4.174 -0.509 -2.386 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 3.424 -5.375 7.586 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 -17.588 3.277 -0.070 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 -3.409 -1.093 -0.358 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 -3.744 -2.230 -1.138 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 7.460 5.871 9.948 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 -6.381 -7.085 -1.975 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 -9.209 -26.623 -7.136 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 -6.964 -10.092 -1.606 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 0.892 -0.164 -2.415 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 2.679 -32.235 -10.783 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 17.063 11.336 17.653 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 4.146 -1.439 -3.607 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 15.173 -16.931 -5.995 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 6.676 -4.841 -4.021 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 -2.274 4.880 -0.312 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 -4.569 31.826 7.125 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 -9.454 2.656 -15.376 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 2.071 1.994 1.203 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 -3.748 7.882 7.585 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 -12.746 13.812 19.643 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 -2.894 -2.378 -3.218 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 -3.772 -0.661 9.447 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 -2.034 -15.453 -15.240 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 -5.395 -5.016 -4.343 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 23.541 15.438 3.664 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 15.356 -5.779 -5.318 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 7.161 -0.229 3.936 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 -0.637 1.343 16.503 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 6.147 3.862 -8.203 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 -3.604 -3.942 -5.330 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -18.274 -7.845 12.837 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 6.051 -4.895 -18.070 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 5.689 -0.912 0.441 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 4.321 -3.356 -2.968 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 8.060 6.042 8.626 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 -1.426 -2.018 2.051 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 -13.741 -22.099 -5.310 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 11.293 -0.402 -18.168 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 -1.613 -1.920 -2.114 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 -6.970 4.416 5.283 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 -3.572 -18.696 -13.807 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 -3.384 0.495 4.493 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 11.148 9.415 5.055 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 13.280 4.230 5.444 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 -1.559 -0.289 -0.873 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 -9.342 6.003 15.075 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 11.164 -3.083 -3.825 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 6.148 1.073 4.042 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 25.416 -12.478 1.052 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 12.580 -2.913 2.628 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 0.870 1.642 1.499 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 9.631 -3.859 -8.437 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 -7.548 -13.165 35.902 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 -6.661 -9.399 0.605 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 -3.417 -25.264 24.357 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 -13.896 6.660 -14.808 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 -1.398 0.462 -0.617 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 -0.173 -1.270 -1.609 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 3.735 -9.856 1.944 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 -0.051 -1.044 1.479 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 2.894 -1.452 -2.180 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 4.897 6.862 -5.208 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 1.067 -8.195 -3.080 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 2.501 -13.944 -6.111 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 -2.422 2.741 39.848 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 -0.558 2.720 0.972 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 -12.408 -14.459 26.308 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 -29.220 1.408 -2.632 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 -2.037 0.800 -0.252 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 13.223 11.600 7.523 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 1.054 -15.424 -0.401 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 -2.846 -0.840 -4.897 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 -0.679 5.259 4.328 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 -16.353 -0.568 -10.268 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 7.703 1.970 -0.260 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 2.875 -7.500 10.875 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 6.269 -3.269 10.115 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 -3.070 -3.053 -0.918 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 10.463 -1.359 1.969 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 -2.239 -10.170 5.577 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 4.849 2.882 -1.629 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 8.657 18.074 -27.014 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 -15.133 -0.801 15.799 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 -1.598 -3.341 -11.111 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 0.881 -12.209 1.262 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 -4.997 9.717 -16.648 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 2.678 1.751 0.311 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 0.156 -1.250 8.396 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 -1.155 1.572 3.325 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 -6.122 -0.574 -4.568 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 -8.364 0.279 -2.198 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 -23.494 8.197 23.858 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 8.961 -1.571 -0.284 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 6.450 2.224 -4.034 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 12.288 -1.349 4.635 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 -6.908 7.268 -0.918 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 -16.476 -9.455 7.476 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 -13.720 -4.836 6.248 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 4.432 -4.864 -5.717 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 4.879 -2.856 4.812 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 2.537 -15.768 -4.329 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 -4.729 6.385 -3.722 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 3.952 9.624 7.520 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 -11.272 21.632 6.336 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 -0.142 0.100 -8.734 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 17.932 17.281 12.592 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 -0.892 -7.977 -25.199 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 1.712 0.577 -9.451 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 3.385 -2.996 -7.498 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 0.558 4.000 -11.663 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 -5.451 4.214 6.178 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 -23.503 -18.312 10.604 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 2.078 -3.775 -3.857 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 3.221 -3.508 2.475 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 -11.593 -11.185 -19.451 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 7.595 -3.076 -10.991 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 3.708 -0.869 -0.585 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 2.861 2.148 -1.229 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 -9.245 -1.125 -1.545 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 -1.489 1.306 3.326 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 2.171 7.130 -5.969 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 9.852 11.413 -5.478 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 0.343 -3.357 -0.895 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 13.759 -21.932 -13.912 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 12.133 11.676 -0.171 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 3.660 2.412 -5.058 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 -8.824 5.176 -8.856 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 22.752 18.479 -13.846 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 0.794 1.706 -1.448 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 8.275 17.354 -33.894 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 -8.905 -4.409 19.770 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 -3.870 0.125 4.952 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 -9.474 -1.532 4.023 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 -22.825 -6.065 6.168 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 -0.968 2.208 -1.240 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 -10.488 11.545 18.114 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 4.382 -3.533 -12.530 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 -7.359 0.226 2.819 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 -10.668 7.789 1.048 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 -18.833 12.004 18.273 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 -1.929 1.342 -0.797 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 10.287 12.746 0.921 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 9.607 6.490 0.264 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 5.476 -5.090 -7.106 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 -16.233 -1.031 -7.056 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 5.562 22.777 -15.452 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 -5.402 1.465 -3.310 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 -25.047 -1.642 3.014 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 15.617 8.372 12.831 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 -0.209 4.774 6.037 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 13.992 -14.975 30.428 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 6.928 -8.038 13.508 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 -4.438 4.476 0.088 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 -12.439 1.423 -2.673 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 6.084 19.407 -1.475 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 -3.871 -6.055 -1.929 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 -1.781 9.755 -0.703 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 7.190 -18.456 10.877 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 -4.117 -2.310 4.189 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 2.058 -2.623 5.350 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 -6.717 -9.897 3.690 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 -1.618 -0.672 4.256 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 8.423 -2.456 9.334 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 19.448 14.941 -4.942 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 -1.633 0.055 2.538 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 6.729 -10.505 -19.159 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 14.095 12.883 -10.838 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 1.783 6.892 2.985 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 0.176 4.812 -6.122 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 0.775 7.108 8.170 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 0.588 6.351 1.746 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 -5.611 6.547 -6.218 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 7.290 1.202 -6.883 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 4.782 0.479 3.627 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 2.796 8.643 -9.681 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 -18.947 -11.551 -18.714 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 -6.055 -4.655 2.992 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 -17.122 -0.147 8.816 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 -25.033 -0.866 14.589 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 6.047 -3.975 -1.641 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 18.437 -7.002 -13.458 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 -6.094 -8.207 -8.004 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 2.461 -1.433 -5.243 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 3.407 9.533 6.433 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 -11.595 0.048 -8.547 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 0.861 2.996 -1.247 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 1.337 -9.064 -13.907 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 22.693 4.225 3.784 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 -0.381 2.681 0.470 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 -8.950 14.326 -19.507 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 7.551 -11.152 -9.473 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 6.117 -3.021 -2.924 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 -10.169 -13.478 1.375 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 10.407 -18.124 4.694 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 1.580 -4.295 -8.799 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 -7.185 -4.836 -21.593 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 -13.697 -6.956 -22.000 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 3.184 2.084 -0.472 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 -4.045 -2.171 -0.900 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 8.873 6.481 -2.245 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 -4.026 -0.795 4.604 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 -18.348 -22.995 -5.877 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 3.422 6.096 19.758 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 -7.948 -4.951 1.122 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 5.590 7.493 -12.486 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 -10.519 3.778 13.380 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 3.667 0.446 -7.378 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 18.640 32.467 5.978 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 11.433 16.632 1.357 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 -6.668 -4.570 -1.615 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 3.576 -11.271 21.288 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 -14.761 -5.573 11.811 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 -1.871 5.660 -0.557 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 -14.787 25.357 21.997 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 -9.729 -9.624 -5.358 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 -3.473 3.421 -5.585 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 19.271 8.478 1.429 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 -4.885 12.160 -24.766 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 -2.501 -1.743 -7.100 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 27.237 9.448 13.651 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 7.368 4.511 -11.965 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 -7.474 -3.717 -1.523 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 -11.967 0.840 10.530 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 -5.606 -12.495 -0.626 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 2.850 4.841 -1.326 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 1.965 6.043 3.456 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 1.721 11.241 6.671 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 2.290 -0.706 2.517 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 3.081 24.247 19.941 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 -1.608 -21.227 -2.714 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 -0.974 0.448 -2.922 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 4.742 9.739 -9.858 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 19.818 8.722 -9.852 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 0.803 -1.634 2.026 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 -3.402 -2.336 -10.167 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 13.266 -0.419 2.620 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 -9.255 -2.326 3.943 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 -20.852 21.926 29.117 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 -5.691 6.856 7.783 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 -1.100 -0.682 1.147 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 -2.539 -7.481 -6.097 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 -1.256 -7.255 10.347 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 -1.798 4.761 6.021 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 5.680 4.176 3.059 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 5.720 16.572 8.852 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 -0.673 -2.559 -0.762 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 11.097 -4.739 -9.838 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 17.334 17.450 -3.536 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 4.808 1.073 -9.508 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 7.323 -1.581 -1.529 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 -1.105 -5.769 -12.440 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 0.584 -2.607 -0.876 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 -15.802 14.481 1.171 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 38.985 8.269 -4.691 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 8.304 6.031 0.790 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 19.007 14.464 -8.912 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 -2.917 5.389 9.525 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 1.672 -8.414 0.386 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 9.462 6.221 23.396 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 14.879 -7.915 8.209 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 2.139 -0.165 5.302 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 5.714 -0.080 0.597 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 0.741 -5.369 4.890 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 5.366 -1.238 -3.020 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 -16.757 -10.764 -14.257 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 -10.729 -10.627 -1.295 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 -5.723 4.605 4.416 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 -5.018 4.908 2.271 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 -4.631 13.841 3.062 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 3.970 6.646 4.761 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 -4.455 21.169 -11.689 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 8.246 -5.727 -16.545 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 0.067 2.637 3.338 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 -13.945 -1.575 17.126 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 -1.097 -10.258 -11.981 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 -2.687 -7.077 10.695 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 -38.748 -0.827 22.671 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 15.021 -11.990 -6.129 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 6.116 1.478 3.485 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 0.786 1.763 14.756 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 -1.979 0.672 4.205 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 3.850 -0.990 4.432 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 3.364 -2.376 6.016 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 11.139 12.863 5.584 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 -1.790 3.078 -3.024 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 -11.614 -1.504 -12.786 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 -6.824 18.805 -0.759 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 5.511 0.300 -2.178 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 -16.946 9.527 -9.023 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 2.425 24.371 13.653 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 -6.375 -3.726 4.837 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 -9.516 -0.059 7.791 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 -5.631 -5.919 -4.459 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 -4.745 0.286 1.567 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 -17.375 -1.241 10.250 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 4.600 7.595 10.961 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 4.071 -5.531 0.941 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 -4.337 4.780 -0.863 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 21.655 -9.005 8.402 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 1.524 -2.340 2.509 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 -5.362 16.417 2.450 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 -24.446 -6.352 -0.691 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 4.684 -6.191 2.881 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 14.372 -13.253 22.108 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 22.147 8.071 -2.158 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 1.476 10.697 1.030 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 9.645 4.634 4.796 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 -1.413 -9.295 -0.388 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 -0.429 -0.862 -1.698 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 -4.394 13.656 8.712 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 1.564 -14.355 -9.720 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 0.516 3.233 2.892 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 -0.518 4.919 -16.234 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 -6.781 6.987 22.246 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 -5.568 -4.268 -4.081 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 -4.309 -4.200 3.380 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 -8.411 2.961 -5.979 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 3.361 3.375 6.215 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 -23.278 -1.820 6.542 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 9.249 6.027 -21.016 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 -3.406 6.073 -5.769 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 -8.239 2.415 -2.331 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 -4.270 2.945 -10.973 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 -2.791 0.543 2.635 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 -4.711 -5.409 10.111 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 0.034 0.758 0.407 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 -7.065 0.665 -2.710 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 -8.881 7.016 8.218 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 -2.545 11.849 -3.959 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 0.469 5.953 5.298 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 16.516 11.571 -9.467 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 0.748 -3.240 -11.320 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 -0.529 4.352 2.142 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 -30.432 -22.200 -5.406 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 0.997 0.836 -1.167 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 -2.070 0.277 2.059 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 -0.338 -18.931 -4.955 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 6.617 -6.258 -4.060 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 0.054 -3.571 2.609 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 1.640 -7.238 -7.174 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 6.880 -20.439 12.366 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 -5.726 -0.635 -7.950 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 10.052 -27.324 -0.889 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 -11.461 -1.581 -4.901 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 -1.366 -3.753 -0.480 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 0.907 -4.543 4.458 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 -7.956 -29.884 -4.983 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 5.231 2.649 -7.560 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 -1.235 -15.439 5.361 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 1.685 -5.513 -16.053 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 3.306 3.593 -0.663 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 17.871 -2.697 -11.945 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 13.415 5.440 -6.725 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 -0.564 1.818 -0.520 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 -8.077 20.313 15.510 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 21.036 4.158 -15.255 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 2.112 1.790 -0.361 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 -1.218 5.609 -6.377 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 0.322 2.112 -1.284 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 -12.139 0.063 2.775 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 -13.429 6.721 1.394 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 -15.762 6.961 -7.673 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 -2.586 -0.381 -7.765 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 15.251 6.776 6.160 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 -10.935 14.035 1.667 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 4.769 -2.270 0.387 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 3.586 -7.102 3.753 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 8.900 5.912 -8.113 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 7.828 -4.374 -1.272 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 -9.275 -17.073 3.541 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 -0.517 4.115 -8.903 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 -2.344 -4.164 -2.035 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 -1.711 -8.006 -26.005 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 -4.849 -6.114 14.269 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 2.610 -6.902 -2.349 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 -1.964 0.202 -3.015 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 9.975 -6.485 -3.809 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 1.084 1.271 -1.714 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 -3.839 18.750 -6.382 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 -10.310 -7.678 0.568 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 -5.711 3.256 3.571 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 -6.587 -15.376 -15.257 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 -8.901 26.859 -2.650 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 0.406 1.606 3.316 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 5.496 -3.763 12.900 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 -9.833 21.936 -15.491 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 -1.937 -2.203 -1.300 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 4.904 -8.536 2.371 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 2.724 -1.377 -6.995 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 -1.317 2.041 0.417 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 -6.836 -15.019 -0.902 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 -2.562 -8.867 12.735 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 -2.271 -1.685 -6.627 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 -1.866 -5.651 -18.165 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 -7.413 -15.506 0.611 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 -2.103 -0.828 -5.171 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 6.978 -30.383 -7.183 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 1.278 -11.085 14.598 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 6.235 -8.443 2.389 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 -1.755 -12.888 8.856 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 3.027 -6.095 2.892 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 0.508 -9.074 -1.140 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 2.291 -7.946 -1.284 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 -0.150 -7.825 -0.878 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 2.239 7.745 -1.743 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 -8.871 0.246 14.713 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 20.717 36.339 1.696 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 2.600 1.470 -3.629 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 -6.215 9.871 6.935 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 11.739 3.123 -1.668 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 3.128 -6.236 -1.146 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 -2.807 -1.249 5.887 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 -6.981 -11.314 17.224 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 5.205 -5.508 -4.059 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 2.602 -5.984 15.290 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 0.216 9.007 -12.333 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 -5.423 -0.717 -6.063 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 -1.239 -3.119 -1.927 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 -3.501 3.671 -16.944 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 -3.964 -0.163 -5.101 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 -13.861 -5.559 -13.451 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 -17.075 -2.363 -2.207 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 -0.078 1.569 3.585 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 7.734 0.367 -7.741 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 -1.723 -1.101 14.260 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 10.095 1.313 -5.309 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 -1.728 -7.700 -12.700 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 -23.056 5.071 -10.722 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 3.117 -1.990 2.987 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 2.282 0.363 17.177 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 2.342 -6.126 2.871 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 1.421 -0.857 6.102 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 -12.959 -9.322 -4.101 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 9.842 -10.720 -3.935 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 4.483 -9.688 -1.522 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 2.001 -0.606 -5.448 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 6.383 -22.241 5.784 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 -6.469 -5.382 0.724 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 5.793 -6.920 20.778 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 -13.876 -13.959 -3.718 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 -6.940 -2.547 -1.291 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 29.027 7.403 -8.739 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 -3.702 -9.158 -5.836 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 -3.994 0.512 2.652 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 -11.944 1.826 -13.180 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 -2.017 -0.282 5.694 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 -2.402 8.011 -1.413 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 7.766 10.089 -14.400 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 -2.066 8.375 -2.108 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 5.158 -2.963 4.982 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 -9.016 -2.293 3.057 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 4.149 -2.311 -10.041 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 -2.955 1.256 1.301 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 5.698 0.163 0.021 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 -7.175 -12.699 -1.364 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 -1.341 -5.146 -6.106 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 2.766 -2.951 2.002 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 12.761 -10.821 -15.558 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 0.144 8.350 2.537 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 -14.305 8.078 -24.963 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 5.234 3.178 8.163 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 -2.103 6.152 -0.886 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 -3.085 -14.301 4.606 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 1.895 -3.906 -6.485 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 0.302 -2.027 1.029 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 1.166 10.417 15.529 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 0.404 -5.429 -3.869 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 1.144 3.859 3.045 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 -0.925 6.917 -2.540 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 -3.938 2.549 10.449 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 8.401 -7.128 -0.831 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 -2.287 7.969 8.807 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 -3.250 -9.278 0.951 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 5.165 3.547 -0.909 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 8.674 -6.460 -0.315 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 23.324 13.927 11.976 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 -3.616 -0.548 3.481 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 7.901 7.610 7.957 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 -11.704 13.310 -5.592 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 10.398 1.207 -6.216 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 -6.067 -5.101 26.835 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 -19.404 -4.350 14.983 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 0.821 9.956 0.438 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 -5.080 -10.154 3.465 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 34.586 -6.509 -3.849 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 -0.912 -0.413 1.325 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 8.415 4.973 20.214 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 14.781 5.180 13.310 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 1.545 -3.208 5.205 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 -4.498 18.502 -16.293 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 9.346 -20.521 20.871 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 0.628 -0.804 -3.715 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 1.880 0.460 5.053 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 -0.096 -2.932 -13.272 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 -1.042 4.268 -0.158 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 11.332 0.408 -27.782 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 -21.798 -16.343 2.060 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 0.506 4.517 -1.382 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 0.755 3.720 11.465 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 -0.208 5.752 -12.583 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 3.257 -2.873 2.449 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 1.989 1.557 -2.844 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 -1.069 -0.783 7.072 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 2.598 3.844 1.811 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 6.561 10.203 -12.010 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 -8.878 19.578 6.325 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 -1.757 -2.291 6.274 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 -8.947 -33.502 29.150 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 -6.397 0.808 -17.769 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 0.912 2.542 6.766 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 18.850 -3.626 15.697 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 9.850 10.940 -3.449 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 0.549 1.998 1.970 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 1.219 12.654 17.418 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 -0.739 -13.419 -19.492 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 -2.932 -0.399 -2.680 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 4.798 -18.668 1.287 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 -6.656 1.183 -21.273 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 -3.580 -2.102 0.160 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 -2.930 15.991 -15.293 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 18.153 -12.934 -1.349 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 -3.222 0.759 0.277 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 -16.856 -1.028 -10.527 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 -5.632 -0.970 -27.538 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 5.047 4.796 0.908 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 24.801 32.209 -4.471 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 18.034 -12.993 24.164 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 -4.257 0.158 8.432 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 7.409 14.633 28.126 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 15.989 -1.724 -8.146 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 -0.592 -0.675 7.892 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 16.532 -19.418 -13.990 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 -8.770 22.451 -10.807 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 -4.050 2.439 3.466 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 -12.255 1.033 21.273 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 -0.069 5.491 -0.767 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 -0.822 -5.423 4.189 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 1.887 -0.083 4.272 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 1.340 -6.114 7.206 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 0.847 -3.892 3.910 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 8.378 -3.255 -3.163 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 -8.184 7.411 10.619 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 -2.743 6.326 2.142 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 -17.008 3.014 -3.307 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 -10.522 0.885 0.518 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 -3.268 -3.473 1.883 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 2.559 11.692 -7.036 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 5.303 -19.598 -7.279 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 0.713 2.812 -5.172 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 -0.359 -11.503 -4.471 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 9.788 -4.395 -0.735 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 -0.212 -1.116 -0.506 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 -2.755 -8.709 8.175 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 -4.913 -21.923 19.640 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 12.362 3.194 -0.112 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 1.610 18.993 15.307 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 23.061 0.580 10.343 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 4.389 1.608 2.863 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 8.927 -3.414 -7.614 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 -13.243 -4.374 -10.291 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 1.169 -9.069 -2.280 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 -0.245 -17.251 -0.257 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 -5.221 -5.636 1.468 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 -7.375 1.383 -3.889 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 -2.080 -8.091 7.001 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 -21.181 5.444 1.166 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 -0.779 -3.372 -1.405 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 6.688 -8.621 2.014 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 -3.324 1.556 11.210 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 2.345 -1.044 -0.773 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 1.654 13.561 -10.600 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 -12.613 -5.362 -3.463 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 -3.107 -2.437 1.368 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 12.383 1.044 6.450 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 -4.706 -3.495 2.860 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 -1.804 -1.185 -5.147 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 20.092 7.496 35.740 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 2.644 10.367 9.577 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 -0.261 4.797 -6.354 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 0.068 3.093 7.780 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 6.556 -4.865 10.671 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 -3.609 0.269 1.576 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 -15.864 -11.116 2.494 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 -5.096 -8.749 3.306 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 1.960 0.151 4.639 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 -3.133 2.686 -10.709 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 10.567 -11.550 3.343 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 -3.533 1.400 1.166 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 16.160 -8.248 12.485 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 0.587 -2.010 -15.634 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 3.959 -5.596 6.030 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 16.184 -7.249 1.666 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 6.354 -3.279 -3.744 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 1.573 5.562 1.799 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 7.730 18.209 -4.056 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 2.893 -4.908 -9.443 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 -4.585 -8.675 -4.042 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 -19.232 -7.158 7.509 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 1.468 -12.911 1.784 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 -4.362 1.612 3.915 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 -6.511 4.514 9.686 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 -21.014 -5.959 -8.920 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 0.352 -6.439 1.206 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 6.548 9.239 -5.111 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 -4.399 -17.040 -13.402 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 2.011 -8.525 -2.454 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 -8.388 -20.939 5.204 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 12.608 -6.347 -28.463 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 0.708 -0.185 -1.124 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 5.390 8.226 -5.670 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 19.442 -4.415 13.982 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 -3.482 2.088 -3.987 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 -1.279 19.446 -16.800 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 -18.312 -11.658 -14.996 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 -7.408 4.064 7.112 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 -8.954 -0.680 2.949 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 -12.282 -5.839 -3.210 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 -0.374 0.136 5.489 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 6.583 -23.363 15.951 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 -11.746 8.704 -35.943 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 2.225 -2.860 1.022 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 -4.482 -0.073 -4.231 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 12.018 -2.645 11.215 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 -2.601 -1.752 -0.857 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 -12.219 5.849 18.099 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 -7.362 -1.368 2.430 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 6.591 -2.351 2.162 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 -18.358 5.768 15.900 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 -4.136 -9.560 -2.570 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 -2.776 2.981 -6.884 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 -3.831 -3.319 1.805 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 -0.457 3.349 2.360 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 -10.276 -1.572 -1.156 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 5.394 4.896 -9.279 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 -11.044 -0.643 -0.320 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 4.822 4.923 -1.999 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 -0.671 12.602 -7.828 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 7.475 -18.082 -23.928 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 -4.760 -1.483 -4.997 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 -8.378 -10.422 -4.514 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 -2.383 3.388 -6.454 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 3.020 1.012 -3.612 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 -16.747 -5.827 -7.616 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 -0.915 -2.502 -1.264 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 6.552 0.087 2.604 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 17.452 -1.958 6.055 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 5.129 8.905 5.751 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 7.978 -4.398 0.913 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 6.379 -12.190 1.560 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 17.047 -7.035 -12.925 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 2.139 -1.696 -2.345 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 -1.843 10.709 -4.396 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 2.106 -23.663 -12.156 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 -2.379 -0.696 -0.309 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 11.148 0.060 -13.886 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 0.900 -20.670 -35.280 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 0.014 1.835 1.712 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 10.776 -2.636 -9.252 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 1.471 13.889 4.282 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 -6.750 0.648 2.726 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 8.574 -14.114 -7.634 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 -7.869 0.420 1.496 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 9.612 -0.078 1.499 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 13.741 9.339 -16.861 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 -10.682 -7.257 -0.342 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 -0.067 -0.611 -3.643 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 2.893 1.962 -16.850 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 -26.023 12.754 5.672 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 -3.387 -5.649 -3.469 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 -11.829 -34.202 -0.215 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 -15.167 2.357 -8.416 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 -1.708 -1.886 -1.561 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 -5.361 -17.601 6.223 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 -13.373 8.542 -18.336 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 -6.218 4.564 -2.232 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 -21.618 -6.367 6.537 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 11.316 -5.981 2.199 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 -2.033 -0.697 -0.035 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 -0.534 -13.107 -11.225 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 -21.348 15.935 2.989 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 4.648 -3.191 -1.567 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 5.967 11.200 -22.620 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 24.193 10.780 14.400 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 -1.079 -3.718 9.424 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 6.475 8.771 22.881 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 8.830 8.907 17.486 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 -0.687 -2.373 1.877 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 16.425 -11.346 -21.026 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 -21.878 11.088 -9.419 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 2.655 -3.197 0.822 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 -7.064 -10.738 10.246 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 9.889 -9.853 -4.082 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 6.706 3.565 1.715 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 9.613 8.831 -15.983 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 1.173 -1.910 30.090 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 -3.055 6.288 3.400 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 -1.680 8.700 -0.888 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 3.121 11.203 4.346 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 5.263 -0.959 -4.117 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 -0.665 -5.061 15.166 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 0.700 -1.569 3.194 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 -7.105 -4.704 12.745 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 -0.673 7.628 2.795 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 -6.959 7.413 13.690 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 4.729 1.039 -2.122 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 -9.998 -6.740 4.135 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 15.698 -0.390 11.197 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 -2.004 -7.136 -6.692 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 -0.590 -8.398 -5.877 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 -2.305 -6.661 -6.739 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 -1.439 0.243 11.548 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 -19.049 -3.628 -17.621 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 -5.746 20.161 4.826 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 0.286 1.233 3.826 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 2.792 0.980 4.154 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 27.809 -11.295 6.100 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 1.499 -4.212 1.740 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 -11.098 5.678 7.718 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 -6.338 -12.194 -3.569 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 -0.100 1.922 3.586 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 7.091 22.935 -14.606 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 -2.129 -5.477 5.554 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 -1.202 -0.111 0.912 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 16.814 18.452 -11.293 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 -3.748 -13.370 10.698 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 -5.245 -2.665 -2.114 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 9.685 9.669 -6.419 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 -20.098 3.127 -7.887 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 -1.751 -9.075 -5.150 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 19.007 -9.323 -8.822 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 10.716 -8.861 -9.031 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 -5.826 5.278 3.360 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 -11.065 6.876 2.517 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 12.496 -21.132 5.328 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 3.122 2.225 -1.675 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 -7.754 -12.183 3.412 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 -2.571 -6.746 -1.969 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 -4.642 7.829 -0.769 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 -1.478 -3.000 9.792 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 -4.343 8.966 -1.745 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 0.057 -4.243 3.080 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 -20.199 -15.841 -1.250 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 27.066 7.071 15.153 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 5.204 5.604 -3.871 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 3.303 4.426 17.396 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 2.002 -8.379 14.579 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 -6.637 0.882 -5.833 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 17.463 -8.127 -15.610 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 -0.330 0.734 -7.621 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 1.783 -4.682 0.875 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 17.729 -14.811 -1.567 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 7.023 14.019 -2.110 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 -3.672 -0.652 7.488 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 -1.379 0.756 12.089 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 -0.048 -3.261 10.243 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 1.820 3.502 -3.250 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 17.697 23.120 -1.723 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 -5.111 1.233 -27.429 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 2.408 -3.468 3.792 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 18.184 0.295 24.060 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 14.684 -1.363 -3.222 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 2.059 -0.250 1.997 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 3.793 -6.364 8.973 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 -2.127 2.659 -2.750 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 -1.569 0.908 -3.643 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 3.357 3.440 3.595 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 -12.475 -11.414 5.798 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 -3.991 8.175 0.727 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 1.924 -0.825 1.446 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 -1.908 7.274 -13.231 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 -3.936 0.808 3.228 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 -17.182 -21.489 14.133 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 -17.551 0.650 10.387 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 2.298 -1.758 -0.034 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 -10.504 -10.381 -24.226 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 -16.335 -11.712 5.640 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 -0.922 0.178 -4.012 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 -0.443 20.420 9.647 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -17.724 4.221 -4.568 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 -0.351 2.377 1.904 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 -9.392 -0.500 2.411 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 -9.236 12.466 3.901 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 8.414 4.024 -3.412 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 6.921 5.811 7.477 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 20.360 -9.580 -2.487 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 -1.531 0.111 4.064 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 -2.298 -8.104 6.895 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 -0.067 7.060 10.368 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 -1.121 -7.801 8.448 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 4.240 10.704 -8.786 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 -3.739 -2.091 15.584 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 10.051 0.071 -2.182 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 -6.944 3.516 15.587 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 -12.298 19.981 11.686 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 3.367 -3.030 3.353 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 -2.669 -6.785 10.754 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 14.359 4.554 -26.646 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 0.611 -1.503 2.488 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 -2.772 -12.652 3.793 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 5.412 29.919 8.358 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 -4.853 9.763 -0.167 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 -3.814 -13.745 1.709 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 0.827 -1.541 -0.939 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 -6.375 -3.426 6.311 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 -30.236 -12.376 -12.140 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 12.764 -5.846 4.536 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 2.902 2.573 8.592 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 -12.110 14.829 2.134 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 -5.213 0.603 -2.430 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 -1.245 -0.128 5.793 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 11.905 -6.769 -0.839 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 16.058 -9.959 6.671 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 -6.512 5.032 -0.032 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 -10.875 1.022 6.527 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 3.560 2.624 -7.472 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 -6.992 8.215 -0.113 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 -14.081 10.754 11.124 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 5.125 14.259 4.561 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 -6.457 -3.101 -4.219 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 10.985 -9.186 -5.684 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 -20.808 5.302 2.236 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 1.764 -0.699 -5.589 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 -0.453 -13.883 -7.384 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 -18.148 34.145 -0.896 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 0.220 4.430 1.507 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 -2.591 6.978 6.883 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 0.004 -2.609 0.874 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 -1.120 -4.519 -0.731 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 -1.455 6.475 0.595 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 1.822 -8.714 -5.807 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 -3.503 -0.700 3.931 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 3.551 6.184 -4.788 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 10.127 -1.082 -5.308 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 -1.551 -0.397 -1.978 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 13.014 13.517 -9.209 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 -7.122 1.952 3.097 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 -4.185 0.613 -1.239 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 2.763 -4.955 12.622 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 0.520 -6.751 5.970 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 -4.161 -2.854 3.667 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 -1.195 -3.308 6.201 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 -5.056 2.415 7.572 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 -4.118 -0.351 0.229 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 -13.767 -8.934 8.550 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 -8.787 13.955 4.465 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 -2.510 -3.266 3.222 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 5.204 -11.164 19.630 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 -8.295 -5.842 2.294 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 0.400 -0.392 -2.241 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 0.256 7.475 6.957 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 -24.342 -5.105 3.307 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 8.611 -2.220 6.464 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 13.381 -22.654 11.378 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 14.740 0.671 4.660 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 -2.883 2.573 -0.661 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 6.214 -19.065 -25.035 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 -2.614 -22.713 -9.777 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 3.992 -0.644 -4.214 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 -0.061 -7.629 0.999 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 8.003 12.045 -11.108 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 -2.241 2.647 1.350 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -7.368 -1.410 -13.827 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 7.842 -15.937 5.739 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 -2.504 -6.383 -0.553 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 4.666 -13.446 0.398 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 17.757 -33.030 42.628 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 -5.069 0.426 -3.781 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 -7.167 16.865 6.021 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 -4.997 -8.055 1.073 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 1.615 3.208 2.698 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 9.061 7.770 3.074 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 33.769 20.927 2.212 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 2.287 -1.904 -0.124 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 11.979 -5.397 -30.805 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 2.877 6.596 10.549 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 -1.988 -8.723 -1.543 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 5.774 2.399 22.656 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 -2.313 -30.256 -8.387 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 3.253 -5.596 -0.319 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 -5.669 -10.884 5.682 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 8.831 -4.694 0.518 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 -3.801 4.156 -2.258 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 11.624 4.236 2.118 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 -1.656 5.302 -3.165 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 -7.385 0.342 -6.202 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 -13.372 -12.490 -5.814 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 3.204 22.133 -8.713 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 -0.940 -3.993 -1.803 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 -2.021 -23.092 -9.983 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 -5.609 -6.403 -7.845 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 -1.906 1.011 -6.248 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 4.450 3.481 -6.362 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 -8.200 -3.084 4.059 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 -5.013 0.123 -2.162 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 -3.226 -1.414 5.077 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 -1.425 -27.474 28.248 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 10.335 -0.360 1.096 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 3.573 10.847 -4.477 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 18.376 -7.664 -6.899 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 -2.339 -2.823 0.010 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 -8.551 -15.059 -13.550 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 -12.010 13.184 -0.448 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 3.401 -0.524 -1.589 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 15.238 19.542 17.345 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 -17.997 -7.894 -12.257 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 1.101 3.326 -4.934 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 -1.530 -1.181 -27.106 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 9.891 -12.399 -4.067 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 6.026 0.517 2.524 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 18.709 -6.115 7.355 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 -1.358 0.218 25.627 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 -1.927 -3.734 -1.009 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 -0.293 -2.333 -6.238 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 -6.144 -6.331 -1.796 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 1.100 3.300 -7.799 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 7.844 0.101 -2.464 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 1.683 11.827 -6.623 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 -3.350 -4.826 2.919 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 -13.964 29.109 26.147 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 9.399 5.799 18.034 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 -6.503 -1.725 3.418 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 -13.530 -0.152 -8.160 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 -6.586 -4.187 -7.171 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 1.403 -0.086 -1.699 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 -2.313 -0.344 3.152 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 -2.781 -1.120 4.212 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 -3.504 3.934 1.625 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 -0.234 2.813 -3.204 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 4.632 -9.404 3.637 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 3.613 3.642 4.354 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 4.614 6.990 2.693 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 -1.440 2.691 7.403 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 8.464 9.576 -2.987 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 19.540 -6.437 -15.613 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 21.619 -8.424 20.913 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 -8.977 6.020 3.549 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 -12.146 2.911 15.407 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 -17.130 20.191 -15.957 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 1.144 -11.428 -5.028 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 -1.627 -9.532 -2.993 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 -0.938 -9.295 -3.832 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 -4.545 -4.625 3.621 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 -26.610 -1.330 15.624 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 -34.637 -1.006 15.128 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 4.881 -3.347 0.292 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 -6.451 -2.800 -7.237 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 -0.773 -5.455 -0.592 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 -5.202 3.068 1.788 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 22.534 25.294 -6.561 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 -26.643 -27.952 7.127 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 0.449 -5.893 5.170 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 5.042 -0.410 0.762 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 -3.588 -7.004 2.477 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 2.631 -0.185 -1.399 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 -3.143 2.204 1.107 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 12.817 -7.475 -3.422 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 -2.915 -7.083 -2.748 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 -6.055 1.081 5.032 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 -4.545 -9.263 1.529 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 0.507 1.331 -4.365 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 -6.656 3.312 -11.759 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 5.090 10.522 -17.378 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 -5.454 2.936 -1.655 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 0.314 0.389 -0.269 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 -3.432 5.540 -5.047 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 2.598 1.356 -2.074 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 2.195 4.125 -9.652 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 15.476 -13.559 26.725 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 5.943 4.401 0.631 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 -18.799 -4.743 -19.459 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 9.259 -12.547 -22.855 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 -3.659 1.774 -4.764 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 0.584 11.574 -1.557 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 0.463 -0.645 -6.371 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 3.182 -9.590 0.283 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 -24.473 -0.702 -14.602 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 16.101 13.285 5.477 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 -3.091 3.177 -9.248 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 -13.235 -6.432 0.252 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 -15.698 14.285 -14.122 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 -7.619 0.062 1.394 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 -13.669 -10.889 8.689 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 -3.915 19.079 -12.945 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 0.028 -3.549 -4.565 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 23.949 18.497 -0.549 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 2.693 -0.901 -29.313 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 1.919 -2.217 5.122 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 7.029 -13.651 19.845 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 0.623 7.584 11.426 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 -3.552 -0.153 -5.943 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 9.793 27.395 20.858 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 1.311 2.091 9.098 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 0.159 -0.149 -1.519 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 -26.787 10.037 -11.716 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 -4.485 11.682 9.510 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 4.063 0.856 -9.881 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 13.421 2.416 -11.822 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 -24.171 -11.790 -5.373 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 -0.552 2.552 3.958 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 4.791 -6.525 2.942 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 15.857 -2.274 15.330 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 5.155 -2.141 -2.202 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 8.631 15.686 14.038 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 7.862 0.637 -26.321 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 0.426 0.399 -3.158 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 -11.022 -11.903 -12.586 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 -7.008 -7.986 -11.315 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 -2.271 0.787 0.508 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 4.613 5.452 -2.875 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 0.202 -7.655 -16.310 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 -9.571 0.434 0.635 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 9.137 19.845 -9.843 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 -9.783 16.487 -5.259 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 2.970 -1.732 -0.067 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 22.361 -12.247 -2.947 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 -2.008 -0.029 0.451 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 2.153 0.085 6.045 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 -15.312 17.149 -3.793 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 -4.662 -6.036 30.225 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 3.677 -1.285 -1.166 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 -11.358 -1.752 11.264 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 23.141 11.696 -18.127 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 1.502 1.790 -2.115 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 12.398 7.631 -4.476 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 -3.812 1.188 -2.133 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 -1.005 -0.963 2.042 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 17.659 -8.293 20.556 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 -13.173 -13.410 11.448 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 0.011 -1.385 -0.148 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 7.117 -3.493 16.880 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 5.380 9.983 9.457 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 -4.231 -4.162 -8.996 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 24.711 -5.906 -11.825 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 -9.810 -11.221 12.962 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 -8.099 1.213 9.120 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 -12.312 -0.633 8.382 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 -8.955 -1.625 -8.454 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 5.688 6.629 -4.270 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 5.098 9.418 -8.473 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 8.112 8.827 2.677 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 2.562 -3.436 -4.395 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 11.366 6.952 -10.658 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 0.615 12.114 11.211 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 -9.561 4.923 -7.629 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 2.663 15.784 -20.089 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 -0.441 -17.490 -6.730 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 -1.143 0.675 4.127 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 4.914 -1.770 14.363 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 -15.354 -18.519 9.650 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 4.465 -0.163 1.846 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 12.596 -31.612 -1.040 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 -11.925 0.751 -9.896 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 -2.023 2.815 3.552 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 -3.980 7.571 -6.141 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 1.447 3.017 2.899 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 0.546 6.545 0.770 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 -0.950 -0.911 -9.408 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 12.332 13.500 -0.872 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 2.375 -1.568 0.575 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 -12.375 -9.993 2.879 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 4.897 -8.561 -24.602 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 -3.605 -6.457 4.284 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 -15.550 2.193 -14.017 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 -33.177 -6.459 5.264 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 -3.510 -1.132 2.568 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 -5.792 1.999 3.827 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 -13.885 19.474 -16.226 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 -2.708 0.063 0.286 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 12.012 -5.502 20.061 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 -1.150 -2.201 10.415 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 -4.753 0.937 -2.663 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 -6.464 5.315 4.798 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 -8.420 5.633 -16.583 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 7.519 7.136 5.201 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 6.419 10.488 6.022 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 11.180 10.401 7.348 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 -1.073 5.272 -0.346 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 -2.296 14.090 -3.117 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 6.965 2.449 -18.971 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 -5.552 -1.003 0.214 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 6.309 -1.221 -5.599 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 12.562 -2.847 -18.767 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 -2.714 2.732 -4.957 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 -7.785 -13.711 9.847 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 -10.421 6.389 1.313 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 5.220 -2.721 -0.571 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 -15.674 -4.633 -20.959 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 9.591 7.461 -16.431 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 -3.963 -4.979 -4.966 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 10.505 -12.057 18.198 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 -1.210 19.237 -12.787 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 -2.647 -0.511 -1.154 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 1.207 -2.753 -16.133 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 -10.291 11.738 -4.464 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 -2.063 4.528 -1.692 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 -6.848 23.057 3.846 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 4.421 3.091 0.635 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 -3.716 1.788 2.137 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 -10.659 0.848 6.552 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 -4.387 -8.972 2.832 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 -0.856 0.744 1.332 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 15.267 4.693 -3.682 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 10.199 4.454 -2.957 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 2.889 7.444 -1.805 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 -2.059 -7.734 -18.396 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 2.199 -9.926 3.354 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 -0.741 -6.368 -1.081 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 -0.436 -10.904 -8.216 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 4.795 1.133 7.526 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 2.886 2.082 -0.311 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 -4.511 14.987 4.475 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 0.350 -2.839 -4.297 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 2.209 5.198 3.954 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 -1.519 13.599 -4.343 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 0.071 16.823 -5.161 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 -1.449 0.260 -1.332 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 -2.967 -2.692 0.571 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 -1.448 -0.216 -2.745 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 -0.691 -1.317 -0.251 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 -1.279 -1.891 -1.056 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 10.509 -4.241 0.457 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 3.462 -4.450 4.383 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 3.708 12.891 -5.398 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 3.899 3.156 -0.730 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 7.248 -4.175 -5.017 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 2.956 22.324 3.966 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 6.498 -2.688 -17.247 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 -0.288 -0.130 0.380 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 -1.096 -1.202 -15.228 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 0.936 -1.265 -17.729 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 -0.773 1.227 -0.106 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 10.210 -11.025 -5.109 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 0.506 0.885 13.834 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 -0.573 1.533 -6.662 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 12.336 -7.032 -18.994 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 26.847 -15.115 -5.184 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 4.929 -0.304 9.552 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 -11.098 2.768 7.264 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 16.474 -24.228 26.700 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 2.572 -4.638 6.993 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 15.751 -16.001 6.280 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 -8.435 -18.204 -0.124 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 6.659 10.566 -7.927 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 -15.838 0.934 4.103 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 5.288 9.769 -14.233 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 -0.537 -3.924 0.584 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 10.187 -1.856 -2.912 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 17.044 22.626 -35.210 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 0.930 5.941 -0.841 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 -1.958 -8.615 -7.117 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 -18.935 4.852 1.025 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 -0.633 -2.094 -5.297 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 -5.673 1.277 -13.710 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 4.894 16.641 23.605 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 2.524 4.431 2.671 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 -15.391 17.226 0.101 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 5.175 10.598 13.529 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 3.247 -1.740 2.325 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 6.417 15.873 5.008 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 5.326 -4.144 18.607 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 0.135 -2.528 -0.772 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 4.034 -0.284 -0.389 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 8.180 -5.971 5.661 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 3.150 -1.098 -1.684 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 13.263 7.132 15.805 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 -19.122 -11.508 -19.197 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 0.107 -2.749 4.864 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 -9.198 -17.034 0.247 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 11.244 -7.852 9.991 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 -1.340 1.903 -1.101 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 -16.894 -0.437 8.101 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 6.299 4.817 -18.989 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 1.225 -3.809 -4.484 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 -2.154 -3.193 -7.301 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 6.536 -1.159 -2.177 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 -4.960 -4.087 -7.617 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 12.248 -7.600 -11.649 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 8.089 -7.243 -11.409 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 -4.631 2.197 1.857 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 -12.129 -1.990 2.766 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 -8.495 2.447 2.745 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 -2.407 0.391 0.206 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 -1.733 4.458 -17.648 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 5.634 -3.609 -2.482 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 -2.892 6.524 4.804 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 9.274 4.567 -0.243 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 -10.318 7.536 -6.539 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 -0.522 4.759 4.891 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 4.725 -2.390 -15.563 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 9.640 -7.865 -2.024 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 -3.502 6.069 0.956 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 -3.102 11.501 6.166 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 -2.941 -0.539 5.451 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 -2.334 -1.574 -2.769 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 1.069 -4.462 -0.587 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 16.929 -12.112 -3.176 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 -0.910 3.758 0.972 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 -14.789 19.952 5.808 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 10.983 -15.629 -5.170 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 -2.919 -1.337 -2.760 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 -12.297 -7.309 -6.907 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 1.689 -20.330 0.936 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 5.464 -3.575 -7.777 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 16.170 3.674 0.447 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 12.791 -12.800 -2.217 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 4.854 -1.225 0.854 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 15.991 24.757 2.729 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 -2.251 -7.008 -0.047 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 4.951 2.924 1.000 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 -4.107 3.924 14.817 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 -4.010 -19.613 -15.944 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 -2.868 2.818 0.325 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 -2.121 5.303 4.548 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 5.493 5.068 5.748 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 3.439 2.959 4.174 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 -3.339 1.025 7.832 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 12.554 5.759 4.871 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 -2.295 1.015 -0.062 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 -0.938 -0.919 8.192 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 -2.126 15.807 7.411 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 4.316 -9.028 2.284 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 2.255 -6.563 3.194 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 -4.079 1.192 0.403 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 3.173 -2.072 -5.414 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 -10.764 -4.491 -1.591 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 -8.825 -22.028 8.293 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 0.416 -0.546 0.660 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 5.340 -7.491 -35.998 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 -6.808 -26.347 35.353 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 -0.984 -4.685 1.770 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 -19.674 1.265 15.476 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 -3.979 11.495 -14.970 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 -3.499 -2.345 0.588 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 -12.376 -16.909 11.517 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 -17.109 -13.354 -24.036 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 0.331 3.275 1.613 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 -14.148 6.219 6.978 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 -2.024 -5.706 11.064 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 1.225 5.488 -1.556 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 -12.944 30.194 5.877 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 20.869 24.796 3.283 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 -2.194 4.726 -0.519 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 -5.625 -1.171 2.825 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 8.588 -27.888 14.769 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 -1.341 -1.475 -4.665 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 0.506 -27.225 2.747 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 10.310 -3.746 14.543 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 5.558 -5.363 -5.964 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 5.849 -2.066 -1.881 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 -3.995 7.585 -4.815 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 -4.276 -0.085 4.368 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 -11.907 11.033 35.594 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 -4.162 -20.689 -16.446 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 1.207 -0.070 -6.517 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 1.805 16.604 19.367 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 -2.775 -13.718 -5.746 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 -0.345 3.051 -3.244 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 -0.272 5.445 5.336 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 -0.005 -1.514 8.462 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 -1.524 -7.226 2.486 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 2.530 5.811 -3.971 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 34.554 37.873 -22.579 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 -1.260 -4.997 1.387 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 12.352 -10.011 -0.074 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 -0.713 -5.323 14.635 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 0.669 -4.226 -3.228 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 -0.679 8.313 -3.280 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 12.457 -5.429 -5.155 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 3.714 -7.207 -2.553 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 11.547 -1.594 -5.057 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 6.012 -4.010 -11.488 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 -0.610 -2.555 -1.288 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 -7.822 -2.509 -15.472 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 8.039 -4.973 -23.019 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 0.766 -2.469 0.298 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 17.753 -11.410 -15.029 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 4.211 -25.354 14.647 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 -2.898 3.066 -1.597 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 1.121 1.567 11.975 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 1.922 -4.572 -0.814 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 -5.434 -5.849 -0.659 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 4.875 -21.913 18.072 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 -4.223 -8.151 2.025 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 -2.377 -1.435 -3.277 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 -8.450 -3.131 -2.742 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 3.052 15.686 -17.853 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 -3.276 -1.851 0.870 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 -4.696 3.024 9.842 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 3.599 3.786 -2.123 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 -2.181 2.167 1.148 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 8.813 8.327 -0.442 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 11.125 -7.921 6.893 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 -2.078 7.254 -1.146 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 -3.967 5.957 -4.425 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 -2.420 6.411 -2.392 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 -2.123 -3.243 0.437 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 -6.885 -2.096 -5.804 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 -1.214 0.744 -10.077 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 2.586 1.008 5.293 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 -0.420 -0.189 -16.797 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 4.144 -0.406 -26.256 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 6.256 0.824 -1.966 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 5.711 -3.428 -26.297 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 1.102 19.449 -11.549 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 0.241 4.112 -1.881 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 -11.778 8.568 2.061 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 -4.632 12.492 1.015 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 0.120 -1.939 0.773 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 -5.118 -7.895 -3.858 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 0.702 -3.534 -7.302 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 -4.919 -3.759 -0.707 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 10.942 -9.688 9.389 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 7.629 -12.825 1.511 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 2.556 -0.592 -1.972 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 10.530 -19.760 -8.366 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 18.419 12.772 -7.856 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 -3.797 -4.284 -7.995 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 18.713 14.691 12.342 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 -1.144 -2.434 -5.940 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 3.220 6.474 0.106 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 -13.026 21.369 12.117 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 -6.793 14.602 1.700 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 -5.517 -2.513 -0.468 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 -10.876 23.049 -14.202 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 14.273 -15.355 -16.636 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 -2.487 -3.159 0.346 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 -13.490 14.273 -3.622 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 6.376 -21.693 9.311 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 -5.448 0.396 -3.458 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 -1.497 -20.099 5.403 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 9.655 6.109 -6.174 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 1.356 0.876 -0.969 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 -25.103 16.129 -0.085 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 -8.977 -33.926 -26.457 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 1.927 9.624 -1.684 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 17.993 4.630 -7.566 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 -7.303 0.895 9.124 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 -0.671 8.561 -0.264 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 -10.125 13.023 4.210 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 -21.840 -13.430 5.348 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 3.912 -1.353 5.482 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 -6.739 -11.747 12.409 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 -7.008 4.185 -1.167 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 -0.696 -4.474 0.732 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 -3.609 14.362 -2.791 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 -4.600 -2.791 7.890 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 0.925 -3.903 -5.277 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 -20.764 -7.077 -10.654 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 0.293 18.235 -3.594 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 1.134 -0.238 -1.509 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 3.593 -13.520 -2.384 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 -4.725 -9.250 -4.659 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 -1.631 -4.026 1.045 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 -1.220 -15.173 16.529 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 -4.696 -8.079 1.402 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 2.920 2.557 -2.755 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 3.348 12.612 -9.559 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 3.271 16.063 -7.964 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 0.242 -1.700 -7.410 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 8.892 -3.594 9.166 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 3.979 4.979 11.438 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 -3.501 4.021 -5.397 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 -21.752 -9.705 2.902 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 -18.816 -11.728 -0.234 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 -2.745 2.453 4.739 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 -2.885 -8.316 34.079 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 2.836 2.823 -3.501 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 -3.210 -2.348 -2.732 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 3.462 2.081 -23.416 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 -1.760 -4.414 13.030 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 -7.369 -4.443 2.305 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 -4.494 8.747 1.300 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 -4.820 7.405 1.363 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 1.361 0.754 1.650 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 1.851 5.001 13.926 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 -0.269 1.357 -21.357 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 -2.715 -6.718 5.838 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 -12.927 -10.238 -6.049 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 -0.261 10.295 6.779 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 -0.133 -4.645 -2.053 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 21.928 3.005 28.722 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 21.172 20.590 -34.854 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 3.099 -1.878 0.290 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 4.634 -15.094 16.469 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 -18.101 5.091 -8.306 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 6.684 -3.154 2.483 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 5.410 -0.363 4.114 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 -8.135 -5.630 25.536 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 -2.344 0.752 -0.826 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 13.390 4.974 -6.106 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 -33.825 24.562 -1.556 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 -0.718 -2.286 -0.130 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 -3.005 15.369 -22.049 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 17.733 10.733 9.491 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 -0.350 -1.954 3.927 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 5.004 -22.829 2.126 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 5.372 -10.661 5.708 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 5.393 -1.560 5.254 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 1.044 -16.341 6.529 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 -7.157 5.795 2.740 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 6.795 3.283 -2.065 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 2.104 -21.067 -38.953 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 -19.983 22.880 -5.775 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 -0.242 3.314 4.128 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 2.174 -16.946 8.472 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 -1.879 13.347 -5.835 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 0.002 4.615 -0.982 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 -1.952 16.234 34.074 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 -0.193 5.000 1.249 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 1.398 -0.811 -2.371 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 -1.698 25.541 -8.496 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 19.681 -14.564 -2.846 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 2.136 1.247 -3.288 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 -6.418 -1.180 1.026 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 0.811 6.799 -0.241 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 -8.303 -6.552 -0.364 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 -2.564 -5.355 -10.664 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 -29.774 -2.568 4.901 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 7.617 3.708 1.730 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 -24.127 6.936 -10.549 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 2.959 3.945 0.563 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 -0.237 -1.327 -0.543 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 2.859 43.140 5.796 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 5.090 11.452 -13.656 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 6.310 1.032 -5.279 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 2.168 -15.095 20.003 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 -19.000 9.045 -8.911 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 1.465 -4.455 5.751 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 -17.345 8.476 6.161 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 -2.991 -1.520 6.335 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 -2.226 -4.002 5.721 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 -13.816 -2.069 17.161 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 -11.037 14.173 15.733 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 7.481 1.452 0.514 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 15.331 11.720 -10.146 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 -9.144 -33.787 -16.079 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 1.660 -0.487 4.426 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 -16.113 -2.365 -10.598 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 10.417 21.257 1.787 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 2.023 4.107 -5.204 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 -7.334 -0.530 -13.115 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 14.272 12.404 -22.960 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 -3.931 -4.122 -4.564 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 1.904 -2.025 -0.704 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 3.965 -0.339 6.635 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 -3.012 1.962 2.654 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 -7.422 2.588 -7.862 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 -4.495 14.723 -4.530 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 3.908 -2.709 -1.014 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 -6.415 1.604 -4.947 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 -2.130 3.566 -34.564 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 -7.542 -5.124 1.200 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 -7.790 -9.225 -0.053 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 -7.564 -14.944 -1.838 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 -11.704 1.848 -7.078 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 -8.163 -6.893 5.679 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 0.171 -6.069 -25.282 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 0.265 -1.944 6.619 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 -4.393 -1.191 23.832 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 -0.362 -0.676 0.573 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 -3.356 -5.135 6.818 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 2.058 -22.018 -0.317 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 -5.608 5.487 12.427 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 3.994 4.417 2.475 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 12.909 10.075 -41.456 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 4.813 9.408 -16.445 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 5.841 4.292 -1.107 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 15.499 -0.413 1.348 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 -0.929 -7.195 -5.996 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 2.763 2.248 -5.686 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 -14.034 -5.013 -0.990 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 -8.295 -16.572 1.968 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 -6.235 2.311 -1.778 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 -3.295 -5.547 -3.636 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 -17.874 -4.504 -1.384 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 5.917 -1.383 -0.098 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 -9.653 -7.867 -6.061 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 3.022 3.024 -2.711 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 -1.418 5.435 -2.644 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 5.131 -31.046 10.833 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 4.477 17.206 -4.103 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 -1.830 3.067 2.970 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 0.966 -2.267 -3.270 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 11.001 22.193 -16.805 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 8.219 -1.541 1.039 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 -2.128 -5.360 -4.833 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 9.282 0.567 -3.131 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 -4.882 -2.759 -2.248 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 14.681 -3.005 -16.414 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 -2.096 2.445 2.117 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 2.096 3.826 5.762 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 -0.853 4.397 10.417 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 1.967 -2.007 2.720 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 -7.059 0.292 -8.353 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 23.488 -12.599 -16.178 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 1.403 12.731 8.144 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 -5.411 0.493 0.073 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 9.329 12.935 -5.243 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 -10.158 5.809 -13.143 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 -2.827 1.935 -1.053 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 8.106 15.750 -5.540 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 -12.076 0.018 -19.868 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 3.851 4.697 -3.327 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 5.691 -15.150 -1.004 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 -2.976 7.920 4.688 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 -2.683 3.213 -1.536 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 -2.815 8.508 -3.805 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 1.773 9.357 -0.448 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 1.943 7.243 2.861 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 5.148 13.470 -7.508 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 -1.711 13.335 -12.582 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 0.526 4.006 -0.652 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 8.285 8.273 10.036 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 -6.460 6.017 9.355 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 -4.520 -0.400 7.796 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 -1.869 -4.158 11.008 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 -21.781 8.760 -9.501 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 -3.524 -11.084 3.566 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 -15.866 -13.627 1.495 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 6.093 -15.770 -10.197 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 -6.465 -3.515 -1.901 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 -6.830 -3.422 -1.172 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 -9.140 -10.652 1.800 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 0.253 -0.945 5.224 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 -0.722 7.033 -4.034 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 -9.612 -3.739 6.480 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 0.445 -5.131 -4.833 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 4.640 -10.374 -10.980 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 -21.312 -11.586 -9.129 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 -5.329 0.378 -8.267 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 2.130 -17.504 -1.130 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 5.442 -33.633 9.675 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 -4.668 -0.336 -0.533 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 -8.060 -5.973 -0.222 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 -0.614 6.250 -2.236 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 2.455 -3.060 -6.856 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 -16.043 -7.688 -16.296 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 -2.110 -4.008 14.619 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 -4.607 1.654 2.211 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 -19.827 -14.435 9.681 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 -1.589 -0.672 -8.317 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 -0.426 -4.519 1.187 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 1.387 -4.845 -5.377 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 -3.635 -2.105 -16.058 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 3.342 -0.832 -0.148 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 4.496 -0.654 -3.751 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 3.738 6.005 -6.819 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 3.835 1.332 0.939 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 -2.746 -23.663 -14.874 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 6.333 -7.572 -9.637 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 5.931 5.896 2.845 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 -9.267 17.647 -28.975 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 7.685 10.564 -1.562 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 1.948 -0.920 8.703 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 11.669 -2.908 11.707 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 -8.069 6.995 -5.333 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 4.666 -0.516 0.925 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 9.261 2.077 -1.911 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 0.794 -23.124 -7.785 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 4.788 -0.304 -4.837 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 -5.621 -29.032 6.832 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 -27.349 -9.768 1.828 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 -9.892 1.771 2.438 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 -4.701 7.405 -1.818 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 -9.705 11.841 4.235 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 -3.307 0.770 -1.414 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 -15.050 11.950 -7.406 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 -24.547 17.537 -11.046 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 0.663 -1.525 -1.318 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 27.248 16.811 16.276 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 6.963 0.675 1.730 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 -0.919 -2.079 2.511 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 11.124 -7.938 3.855 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 12.465 -2.998 5.227 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 4.397 -1.924 1.630 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 18.803 5.862 7.634 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 13.312 10.837 11.536 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 -4.384 1.178 3.982 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 9.656 6.561 6.164 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 5.843 -1.096 -4.946 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 -4.164 1.121 3.483 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 -10.793 -1.056 17.199 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 4.417 -2.855 8.295 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 -9.476 -0.547 -3.043 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 -13.462 -8.033 -14.481 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 -11.948 -5.113 -10.320 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 0.911 -1.239 -0.327 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 -4.749 -3.847 -6.720 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 6.226 2.117 13.383 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 4.594 -2.903 -4.389 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 -6.623 -1.150 4.762 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 5.379 -2.112 -0.517 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 1.645 -1.132 1.174 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 4.391 12.307 -3.155 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 -10.198 -1.072 5.940 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 3.765 -8.144 -1.290 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 -4.858 6.388 -2.004 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 3.582 -8.442 15.646 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 -4.452 3.557 1.350 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 1.746 11.432 6.193 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 -4.943 6.491 6.565 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 1.153 -5.092 3.272 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 -3.476 -0.951 16.211 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 -6.111 -12.300 27.577 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 -7.809 -1.757 -6.304 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 -5.634 -7.337 -14.165 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 -15.040 -4.964 -1.827 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 -5.360 2.042 -5.191 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 -1.184 24.496 -1.031 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 0.651 2.841 -8.744 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 2.686 5.088 0.768 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 -0.955 -2.980 -3.358 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 3.861 8.479 2.138 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 -2.544 -1.792 -0.509 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 -8.317 -20.500 4.509 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 7.625 -4.171 2.815 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 0.174 6.423 1.041 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 3.638 5.004 3.504 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 -2.698 3.881 -9.567 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 2.990 2.383 2.159 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 -5.507 -1.376 -2.370 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 -5.102 -0.091 5.057 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 0.641 4.373 -2.875 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 -17.264 19.074 -14.553 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 -0.722 -9.202 4.909 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 0.591 3.433 -0.103 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 7.490 0.440 20.308 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 17.859 -6.328 -12.020 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 -1.584 7.303 -0.171 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 3.480 -5.677 -2.839 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 -2.140 1.851 16.238 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 -1.735 3.242 0.404 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 20.163 -6.047 16.614 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 -3.053 -15.759 10.788 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 1.340 -0.488 -5.271 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 -11.884 4.497 -10.826 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 6.383 2.150 2.518 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 -0.846 1.401 -2.085 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 -1.202 -0.258 2.889 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 5.552 7.614 -5.781 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 -1.097 1.278 -3.979 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 3.694 5.290 1.731 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 -0.044 1.612 -7.478 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 1.183 -1.434 -9.525 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 7.095 1.728 -2.062 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 -0.911 -12.667 4.625 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 3.063 3.690 -6.906 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 -1.822 -7.742 -16.763 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 13.560 6.937 -6.663 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 2.310 -8.378 0.831 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 14.876 0.649 -5.494 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 -5.633 2.309 -2.526 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 -0.387 2.188 -5.464 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 -1.492 7.034 21.760 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 -2.180 27.581 -14.449 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 2.819 3.184 7.344 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 -19.744 2.736 5.702 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 2.428 6.223 -0.023 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 -2.469 -3.280 3.149 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 -2.606 -5.477 6.653 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 -22.667 -20.137 -3.924 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 1.828 0.018 -2.783 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 3.768 3.361 -3.383 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 -11.948 9.358 -2.458 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 -4.080 -1.122 -3.370 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 -7.915 10.189 -5.653 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 -13.142 -4.892 3.573 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 1.684 0.670 7.707 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 1.984 1.338 8.500 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 -2.825 6.641 32.755 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 -5.238 1.552 2.059 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 -5.541 -9.808 -8.843 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 -1.474 13.633 2.741 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 4.429 -0.822 0.877 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 -2.642 15.419 6.898 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 -4.644 6.682 4.212 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 -5.516 -5.528 1.385 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 -8.784 5.548 13.168 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 -6.118 -1.408 11.889 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 -2.454 3.980 -6.903 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 6.270 9.929 -21.375 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 -4.132 -1.841 10.746 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 9.092 -5.711 -4.222 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 -19.274 -11.816 -5.655 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 11.428 -8.310 5.189 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 -1.140 0.226 1.087 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 -1.897 9.386 -18.661 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 10.163 -3.085 0.908 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 7.550 4.791 0.644 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 3.711 29.759 12.677 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 -21.342 -7.975 11.956 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 1.584 0.652 1.121 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 -1.502 4.938 0.138 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 3.341 -7.631 2.266 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 0.480 -1.111 0.956 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 5.089 -1.995 17.647 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 9.671 11.789 -5.265 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 -5.205 0.251 -2.266 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 8.764 17.321 5.460 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 -13.916 7.017 14.096 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 2.623 -2.506 -6.425 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 12.586 -0.322 -10.944 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 -1.480 -3.389 -4.319 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 -0.289 3.337 -5.528 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 5.769 10.429 -8.422 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 5.507 -2.477 0.111 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 0.359 0.487 2.675 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 -1.648 -2.463 9.254 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 -4.531 0.461 3.852 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 -4.666 2.189 1.548 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 5.818 7.751 8.246 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 -3.331 -15.921 -7.816 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 -8.466 0.413 6.873 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 12.003 -4.618 -12.100 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 -4.372 -0.039 3.519 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 6.054 -4.536 4.244 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 12.516 -13.575 -3.820 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 -0.353 3.393 7.856 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 -1.215 -0.694 -1.102 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 -3.107 7.707 14.692 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 -15.356 -9.382 0.594 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 -3.109 3.334 -4.572 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 1.019 16.892 -16.974 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 -1.735 9.205 -9.900 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 0.182 -3.033 6.019 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 -0.492 3.351 1.744 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 7.900 -21.993 8.861 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 0.825 1.461 2.657 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 -26.984 3.424 -7.621 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 -10.634 -9.570 14.124 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 -4.046 2.131 -2.550 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 2.140 -4.588 13.174 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 -15.656 -4.752 -15.547 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 -8.118 3.939 7.317 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 -4.051 -5.339 15.505 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 14.825 -0.049 -6.042 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 -5.243 2.377 2.089 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 12.048 15.799 -5.477 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 -5.647 -6.736 -7.451 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 -1.906 -7.305 2.808 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 3.983 -0.645 2.207 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 -3.302 -0.942 2.235 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 1.998 2.562 -3.706 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 -0.148 11.884 -23.969 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 -12.169 9.934 8.654 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 -0.287 -2.358 -2.220 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 7.533 7.412 -25.958 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 1.511 -1.081 -1.646 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 0.740 2.073 -2.933 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 -3.338 1.559 -10.210 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 -4.221 25.865 22.661 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 -7.367 2.661 -2.436 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 -13.879 0.152 -12.359 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 11.407 0.937 4.316 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 3.250 -0.043 -0.245 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 5.642 2.250 1.732 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 10.071 2.315 11.239 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 1.353 -0.213 0.997 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 -7.706 8.759 -12.240 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 5.079 -1.549 -5.001 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 2.436 -0.030 -2.284 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 4.712 2.495 -6.500 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 -3.641 -8.028 10.954 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 -3.909 5.108 1.385 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 -6.194 11.236 5.205 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 2.254 -0.193 0.204 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 -0.959 -0.805 5.973 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 23.967 1.771 28.656 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 -1.805 -17.417 -3.797 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 1.339 -3.417 -3.790 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 32.922 30.718 -20.854 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 9.895 9.378 -12.108 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 -1.302 0.643 -2.246 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 4.920 15.582 -7.317 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 -13.921 -27.514 -4.203 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 -1.041 -3.111 2.428 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 -9.301 7.092 5.608 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 11.190 -0.153 8.718 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 2.167 1.425 -0.349 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 -18.491 1.979 16.101 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 -12.767 -12.985 -17.089 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 -2.115 -0.142 -9.644 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 -14.361 14.895 -27.793 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 7.478 -11.594 3.594 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 -2.922 2.104 3.172 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 -0.489 -15.157 1.821 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 1.436 16.304 19.508 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 3.190 -3.999 -0.962 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 3.758 -4.507 -4.625 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 9.378 -5.756 0.188 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 -9.060 4.056 2.243 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 -13.138 12.757 24.977 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 -10.446 12.081 -24.852 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 -0.362 -1.900 7.329 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 8.173 -15.218 20.668 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 11.508 -10.317 -7.444 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 -1.747 -4.269 -0.377 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 -1.423 -12.040 7.317 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 -7.264 14.357 0.156 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 0.521 5.205 2.208 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 6.432 10.642 12.764 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 -0.055 -6.537 -18.151 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 -0.776 -0.398 -2.189 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 3.766 -21.989 -18.624 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 11.258 -5.656 -3.064 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 2.724 -0.120 -2.486 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 -15.689 2.685 2.677 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 1.084 5.556 -20.461 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 -1.363 3.466 -8.679 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 10.064 4.152 1.770 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 9.925 -1.583 3.350 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 3.512 0.824 2.921 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 -4.502 11.668 7.984 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 19.307 6.889 2.432 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 1.129 -2.635 0.925 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 -1.860 0.562 15.926 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 9.260 19.790 9.522 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 6.920 -0.821 -1.777 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 11.950 -12.666 -20.186 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 -8.000 1.967 -1.835 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 -1.851 6.240 -2.058 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 4.586 2.940 -0.183 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 -11.059 4.154 -2.124 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 5.370 -1.198 -1.343 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 -10.355 21.754 -1.595 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 -6.198 5.918 2.483 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 5.626 -1.845 4.087 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 18.587 -15.671 0.345 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 -3.620 -3.383 -32.893 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 0.153 6.349 -3.152 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 -32.335 -9.926 4.776 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 -3.114 4.952 -4.927 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 2.573 -0.404 -4.626 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 9.847 7.143 -8.218 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 -2.063 -7.674 -2.791 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 -4.435 -3.078 1.199 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 -6.971 4.117 2.141 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 -12.999 23.275 4.902 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 -3.653 -3.742 -1.304 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 10.404 -0.822 3.625 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 -0.997 -6.130 -0.691 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 -6.852 3.333 0.316 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 3.412 -1.285 -1.255 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 -11.071 -1.957 -5.208 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 1.511 -0.888 4.861 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 -4.922 -0.431 -1.274 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 -1.414 3.276 13.134 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 -0.611 -4.842 0.067 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 0.913 -7.439 5.284 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 -2.121 -4.586 -1.737 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 -3.813 -2.574 6.108 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 9.155 0.367 -7.964 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 5.089 6.958 8.872 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 0.532 3.966 -3.742 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 -1.554 5.987 -5.873 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 3.987 5.008 -4.893 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 0.146 -1.844 -0.085 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 -16.997 12.997 -6.599 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 -2.896 -4.478 -11.068 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 -3.278 -1.768 -8.575 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 -12.174 -21.554 -8.686 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 17.552 -5.126 2.657 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 -0.014 -4.274 -0.434 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 6.349 -13.000 4.363 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 -2.714 -26.880 7.014 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 2.104 6.915 5.989 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 0.291 2.916 1.854 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 -5.240 -9.291 -12.267 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 -5.939 3.957 -1.823 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 -5.027 12.375 -20.375 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 -7.323 -1.685 8.263 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 0.459 -0.641 -0.063 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 9.146 17.396 4.336 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 10.423 -5.684 -16.697 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 0.969 3.903 -6.587 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 -8.569 0.532 -23.208 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 -10.996 7.974 -3.572 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 -2.422 -2.612 5.295 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 0.474 0.958 -7.943 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 7.683 15.752 5.497 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 -0.727 -8.467 7.218 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 -12.794 22.369 -2.945 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 17.878 -6.192 8.125 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 -1.047 -5.076 3.461 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 -8.286 2.400 -0.788 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 -1.106 9.549 9.085 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 -1.881 2.758 -5.006 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 -4.364 -12.830 15.544 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 -14.650 -9.319 -2.399 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 0.429 -0.766 -3.054 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 -7.038 7.571 -6.268 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 -5.110 -1.397 5.439 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 0.263 9.657 -8.072 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 -5.890 14.012 -6.877 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 -9.362 16.187 -7.711 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 -1.190 -0.366 -0.421 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 10.295 -1.957 0.691 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 3.773 -11.930 -2.645 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 -1.957 3.550 -1.063 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 -4.317 8.845 -7.555 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 2.972 17.304 0.440 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 -1.427 4.856 -2.171 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 -14.609 -8.991 -13.722 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 6.492 14.757 -2.504 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 0.170 0.920 -1.416 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 10.371 4.335 15.555 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 -3.697 1.262 -25.171 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 -0.043 -1.701 -4.148 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 -1.283 -16.530 12.474 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 6.670 -16.788 -1.710 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 0.305 -6.008 -3.127 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 19.493 -5.714 -13.747 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 -8.103 15.526 -4.118 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 -1.909 1.051 -2.960 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 0.740 0.947 -5.191 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 1.382 0.763 -5.819 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 2.871 -0.163 -0.742 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 -9.516 8.598 -0.955 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 -0.244 15.272 27.475 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 1.828 2.656 0.031 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 36.700 -25.021 10.623 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 -24.952 -2.057 -45.279 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 5.013 -2.245 4.880 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 23.558 -15.638 -14.462 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 30.107 16.117 -16.716 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 4.278 2.679 -4.837 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 0.370 -6.532 5.404 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 -15.408 3.380 5.501 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 -1.193 -6.166 1.895 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 -3.875 -22.982 -2.719 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 38.757 -3.448 -13.888 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 2.011 3.254 3.896 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 0.101 12.176 -7.459 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 6.719 9.195 12.889 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 1.705 -3.672 -2.934 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 12.860 -13.942 8.016 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 -16.415 -1.371 -6.031 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 -3.933 -3.067 0.058 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 13.359 11.801 -3.347 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 7.204 0.785 -1.058 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 -4.131 -0.557 5.302 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 -9.192 -16.398 -9.672 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 -3.926 -1.734 -0.982 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 -1.139 1.683 9.930 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 5.666 15.128 -0.065 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 4.973 7.083 21.223 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 -0.534 -2.691 3.040 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 0.821 -11.089 14.840 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 -1.033 5.352 -11.087 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 2.802 5.431 -0.930 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 6.942 9.950 -5.441 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 22.232 3.694 7.553 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 2.254 0.607 -0.488 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 2.817 -4.995 2.764 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 6.119 6.411 -3.220 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 0.967 1.454 5.389 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 -20.601 -13.709 -2.686 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 -26.584 -23.494 1.957 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 -6.845 4.626 2.764 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 -14.048 16.593 -18.093 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 -18.978 34.996 -24.104 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 -0.446 -3.593 -0.909 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 33.799 -29.313 37.167 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 -18.005 8.889 -20.250 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 1.637 -1.301 1.095 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 13.002 8.014 -10.949 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 0.388 -3.196 2.093 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 2.325 0.121 -4.138 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 -1.799 -5.244 -9.577 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 17.503 5.949 -3.362 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 3.684 5.102 2.502 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 -4.700 -21.970 -19.987 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 7.388 10.250 1.861 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 1.818 -2.828 -3.925 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 -0.249 0.474 2.949 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 -23.201 -16.906 -27.746 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 2.461 -3.619 -1.323 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 -3.044 -3.944 -2.411 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 2.098 1.670 2.506 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 -1.211 -4.862 3.072 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 -12.749 -1.838 20.685 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 3.950 -3.971 5.598 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 4.350 -0.627 -1.230 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 3.919 -17.223 -0.064 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 -5.926 12.815 -15.053 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 1.074 -3.271 4.178 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 9.660 6.057 8.578 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 -6.155 8.768 -12.605 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 0.800 6.131 4.849 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 8.160 -3.557 3.833 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 4.616 7.162 -0.191 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 -0.913 -5.662 5.743 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 -2.126 8.537 -3.261 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 10.284 -0.150 5.513 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 -2.839 4.101 -3.128 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 8.863 10.383 -4.520 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 2.715 -12.713 -14.654 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 -3.879 -0.314 -0.247 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 -4.775 0.749 3.639 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 -1.939 -0.852 3.638 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 5.390 7.277 1.127 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 -2.084 26.987 -2.524 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 -2.451 -3.489 -2.030 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 -5.597 0.020 -0.172 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 -10.100 7.013 -11.825 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 -7.447 2.836 -1.997 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 -0.448 0.803 3.646 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 7.059 -3.702 -14.730 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 2.035 -10.755 -2.372 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 1.269 -8.393 -0.432 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 -25.225 9.745 -21.538 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 5.618 -5.886 15.011 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 4.391 -0.335 -8.522 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 1.445 22.740 13.893 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 3.322 8.900 0.530 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 -3.724 8.935 -4.652 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 -15.653 9.378 3.328 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 5.498 2.597 3.558 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 5.729 -5.355 -5.921 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 9.522 0.644 -7.075 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 -26.324 -5.499 -14.682 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 2.955 -2.582 7.958 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 -3.648 2.283 28.042 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 -37.172 -1.684 14.760 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 -4.398 -0.757 -4.223 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 17.507 -0.804 -2.733 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 1.986 -1.749 -7.839 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 -3.240 -6.146 5.185 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 -3.582 -4.191 6.581 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 -3.132 3.050 12.396 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 0.469 1.529 -7.887 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 -7.450 -14.935 -8.023 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 18.138 14.539 -13.688 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 -1.020 0.294 1.633 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 -0.031 4.127 10.766 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 -3.985 -0.648 -1.190 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 -1.418 -3.436 -4.921 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 3.041 13.334 1.962 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 13.340 -20.211 -1.667 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 4.537 5.627 -0.235 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 1.880 16.275 1.774 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 5.041 10.081 -17.092 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 -3.545 8.760 2.210 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 4.495 14.400 6.188 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 -4.116 -7.530 5.788 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 11.290 -2.987 -7.737 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 15.760 -3.711 -7.319 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 12.328 -4.298 -6.993 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 1.240 6.438 4.534 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 2.778 12.291 -10.384 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 -3.151 2.621 18.084 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 -1.271 0.451 6.846 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 -11.101 -4.639 4.809 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 4.047 -8.112 3.744 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 0.227 -6.540 -5.992 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 -6.542 -7.130 4.859 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 0.026 -29.673 -13.416 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 -1.841 -0.021 7.254 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 -3.352 9.738 -4.433 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 -0.331 -6.307 18.760 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 -0.709 2.604 -3.791 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 1.752 3.180 -2.323 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 2.633 7.896 -4.223 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 -8.148 5.218 -6.513 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 15.460 10.373 -8.499 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 -15.028 -1.751 -26.243 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 -2.136 2.159 0.199 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 -0.112 4.972 -2.354 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 -2.952 -9.842 -3.764 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 9.285 -2.734 -4.218 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 1.761 2.735 10.304 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 3.200 -2.640 3.884 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 -2.688 -1.486 -0.976 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 -9.378 0.611 -16.595 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 -3.222 4.140 14.782 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 1.203 -0.817 -1.463 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 20.991 4.920 12.503 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 11.948 13.123 14.560 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 -3.432 1.803 2.011 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 -7.477 -20.495 29.026 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 6.367 19.292 -21.678 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 1.758 -6.363 0.110 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 19.301 -12.650 7.919 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 3.749 9.057 13.181 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 -0.466 -1.543 0.688 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 -3.085 0.131 -8.474 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 30.241 -22.376 7.747 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 0.635 -5.676 -9.719 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 -1.504 -10.697 -23.642 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 8.006 -5.218 8.257 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 3.715 3.764 -2.497 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 4.097 37.974 -18.059 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 -11.774 24.102 1.021 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 -3.602 -5.034 -1.156 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 -4.745 -2.098 -6.472 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 10.795 12.257 -5.541 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 0.332 -2.063 2.116 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 8.264 -10.675 1.562 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 -11.164 6.596 1.507 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 2.089 -0.061 3.735 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 3.413 0.267 5.582 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 1.276 1.372 2.544 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 -2.665 -5.000 -3.349 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 2.716 5.337 -12.613 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 -1.921 3.963 -6.456 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 2.787 1.912 1.852 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 15.633 21.774 14.674 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 0.070 -22.832 -2.317 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 4.472 4.573 -6.725 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 21.542 -12.452 14.845 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 4.217 -9.320 -29.273 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 -4.281 -5.070 -8.472 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 -13.232 16.429 3.179 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 -27.616 3.120 -10.976 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 3.213 0.646 3.302 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 -16.992 -11.770 -15.594 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 -2.686 -11.598 -7.927 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 8.708 -3.128 -2.228 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 -3.129 -14.690 12.617 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 8.647 -15.232 -21.373 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 -2.422 2.432 -2.088 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 7.233 2.949 -0.752 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 -9.143 -3.462 13.588 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 -0.233 0.616 -0.490 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 -2.321 6.808 -1.741 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 15.138 -1.479 -12.950 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 4.519 2.126 4.845 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 -27.875 -5.806 -10.056 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 -26.536 -4.769 5.999 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 1.012 -4.430 -5.357 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 -9.918 1.613 10.071 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 0.944 -4.182 -11.970 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 0.442 -3.060 0.633 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 6.124 0.779 3.397 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 -4.947 -10.101 -3.898 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 4.997 2.542 0.435 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 -26.846 -23.725 -18.174 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 -12.216 1.232 10.485 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 -0.543 0.910 -2.590 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 -11.914 4.269 -0.608 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 -4.165 3.923 -3.306 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 -0.368 1.181 2.599 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 3.777 20.273 1.601 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 9.991 -5.198 -2.244 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 0.449 3.194 -8.045 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 -13.854 10.537 20.779 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 10.969 -24.157 -39.060 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 -3.860 1.738 -0.403 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 2.279 16.355 19.463 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 -0.342 3.095 -19.712 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 -0.468 1.995 -3.055 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 3.451 8.880 -8.942 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 10.196 -0.880 7.751 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 1.056 1.609 -1.287 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 -6.570 4.334 -0.943 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 4.902 -13.311 -0.759 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 -7.429 -3.036 4.137 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 -0.263 -5.212 8.477 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 -1.899 -6.419 11.056 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 -2.001 -1.396 -3.668 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 26.853 -28.384 22.189 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 -8.247 -0.272 -18.036 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 1.217 -2.082 3.478 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 4.631 17.766 21.742 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 1.033 2.246 8.025 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 8.518 1.820 -0.329 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 2.227 10.837 -14.142 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 10.155 -0.821 3.830 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 1.806 -2.335 3.313 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 -7.731 5.075 16.589 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 11.820 -2.444 9.893 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 -2.822 2.257 -2.004 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 -2.054 0.931 -0.226 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 -4.714 1.044 -1.301 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 5.445 4.818 4.238 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 -9.437 -11.014 14.340 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 -2.560 -3.795 9.526 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 -5.641 -1.756 1.639 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 -18.895 -16.069 -4.247 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 5.191 -29.499 -6.647 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 -7.587 3.547 0.293 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 -3.332 11.581 2.758 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 -14.410 -6.243 5.161 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 -2.893 -0.791 -4.402 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 9.898 -8.796 14.813 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 10.391 4.126 -17.620 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 -3.322 -3.999 -2.870 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 -7.627 8.777 -7.580 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 7.131 -0.929 7.791 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 -2.191 3.409 2.934 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 7.313 13.249 6.765 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 20.710 10.567 34.470 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 1.137 0.471 2.317 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 0.127 0.053 4.055 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 6.436 4.341 -7.015 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 -3.067 -7.052 -0.254 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 -7.160 -28.415 -9.029 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 18.306 -5.517 4.976 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 2.293 -3.807 7.742 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 -7.808 11.434 12.463 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 5.271 -13.971 3.721 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 1.663 0.326 -1.869 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 -15.306 7.933 -11.811 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 21.983 -11.428 3.163 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 -6.753 4.023 7.420 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 -17.528 -0.026 2.229 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 -0.392 -7.467 -11.721 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 3.677 -0.226 1.750 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 12.959 -4.686 -10.729 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 -0.758 28.421 23.623 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 -6.836 -7.498 5.546 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 -1.491 -4.279 -3.276 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 -7.016 -13.600 5.759 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 -0.110 1.357 -6.954 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 -11.166 0.119 -14.852 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 9.529 12.583 1.353 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 -1.710 1.992 -5.462 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 21.342 16.459 -1.255 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 -23.462 3.167 -11.962 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 3.216 4.314 4.063 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 -18.969 10.314 1.269 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 11.535 29.150 3.681 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 -1.929 -2.845 -2.761 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 -19.773 5.075 -1.450 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 -11.350 -6.394 -2.147 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 0.653 7.274 -1.868 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 10.936 0.943 0.148 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 4.829 19.846 -2.243 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 2.664 -3.970 1.220 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 7.512 -2.518 -0.511 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 -2.487 -33.822 -17.536 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 0.769 -2.607 -4.490 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 -9.176 5.771 -18.331 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 -6.568 -0.893 -17.424 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 -3.042 2.931 -6.434 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 -7.740 -7.765 0.090 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 7.207 -0.647 -3.708 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 4.329 -0.078 1.914 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 -4.264 6.334 18.748 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 12.094 -9.101 -2.080 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 -0.968 -2.621 2.517 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 23.819 -6.791 0.513 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 -4.899 3.933 -12.473 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 2.477 2.555 1.995 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 -27.925 -1.695 11.547 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 18.330 -13.211 13.044 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 0.747 -2.436 6.929 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 7.246 -21.424 -9.830 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 22.903 -14.218 -13.083 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 3.051 -1.608 -0.268 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 -3.443 0.442 -5.547 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 7.378 -10.043 -6.203 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 -5.542 0.357 0.699 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 -17.263 8.263 -0.753 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 -3.666 -6.616 -8.038 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 -0.237 3.718 -1.281 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 13.482 0.757 -5.039 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 7.851 -9.254 -1.684 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 -2.399 6.519 2.261 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 -1.306 15.556 5.016 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 -20.910 -13.513 -4.904 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 -0.098 2.679 3.279 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 -19.794 11.375 -3.909 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 2.222 10.454 23.406 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 -1.932 2.625 2.152 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 2.465 -2.044 12.952 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 0.293 1.466 23.094 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 2.126 3.648 -1.479 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 -3.872 -2.070 4.294 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 11.998 -8.132 -2.146 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 -3.669 -1.024 3.707 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 -16.213 -6.335 1.045 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 -10.415 -9.324 9.674 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 3.705 -0.969 0.624 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 -5.686 2.558 -15.189 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 10.854 7.663 -5.806 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 -10.438 3.182 2.117 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 -16.555 -13.431 -14.747 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 -13.682 -3.760 8.428 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 -1.258 0.640 0.497 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 4.390 -9.229 17.442 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 12.772 12.710 -0.681 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 1.426 2.945 -4.150 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 -5.239 -7.151 0.547 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 11.614 17.405 4.821 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 1.904 -3.268 6.132 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 -1.491 -10.251 3.674 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 13.829 8.135 21.683 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 1.531 -4.349 -5.374 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 -2.001 -32.403 -14.177 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 0.570 -12.593 -8.078 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 9.552 0.443 8.395 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 0.371 1.781 -12.788 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 3.340 13.574 5.652 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 3.604 1.659 -2.961 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 12.363 1.220 5.124 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 14.863 0.294 11.336 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 -1.482 3.956 0.377 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 -10.701 10.122 0.772 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 5.623 -7.620 -5.063 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 -0.999 -4.854 2.233 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 0.886 -15.199 -8.752 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 -20.006 -7.288 6.491 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 -3.567 2.328 -1.623 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 -19.926 -13.846 5.456 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 -1.954 29.380 16.150 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 3.617 4.253 1.233 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 -5.071 -12.843 9.476 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 9.596 6.248 -2.508 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 -4.352 3.194 -1.623 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 -1.562 -4.318 3.735 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 -13.622 6.117 2.009 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 -2.507 2.695 0.470 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 -13.313 11.220 -28.040 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 -7.161 -13.621 4.390 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 3.633 0.140 0.742 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 9.828 8.618 7.004 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 0.526 9.489 7.213 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 -2.500 -0.693 2.923 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 -28.102 -7.441 -1.616 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 12.071 -20.558 2.173 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 5.046 1.510 -2.908 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 -0.415 -8.874 14.850 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 15.835 14.232 6.197 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 -2.148 -0.618 -2.241 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 3.979 -3.109 -10.517 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 2.701 13.029 -9.233 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 0.441 -1.891 -0.985 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 15.323 16.166 -12.966 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 -17.388 9.205 -5.030 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 -5.950 0.503 -3.014 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 -6.961 -15.292 -19.269 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 32.642 -15.583 -9.376 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 2.489 -1.466 -3.011 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 3.274 -12.435 -19.638 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 21.558 -0.841 4.177 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 7.081 -4.641 -4.041 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 -20.851 -12.058 24.242 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 10.029 -8.583 10.564 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 1.718 -2.793 -2.319 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 -6.410 6.767 -15.265 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 10.885 9.881 3.451 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 -4.871 -0.184 -2.048 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 -15.470 19.768 0.688 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 -15.178 14.154 5.308 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 7.014 0.278 0.705 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 6.584 14.243 1.745 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 12.769 0.557 -4.280 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 2.643 -1.517 1.083 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 -13.560 7.001 5.743 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 23.446 -14.721 -13.471 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 1.414 0.569 -1.698 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 -14.660 7.101 9.367 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 6.384 -20.975 11.521 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 6.524 -0.374 -2.368 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 2.564 -15.143 -0.405 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 2.901 -11.006 -1.778 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 3.622 1.363 0.520 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 9.838 4.511 -0.283 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 18.635 -1.976 -16.890 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 -0.628 7.693 -4.113 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 4.388 5.663 -2.871 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 19.040 -1.361 3.430 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 -2.498 -0.256 -6.064 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 -0.007 -4.277 0.818 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 -8.299 4.973 -21.743 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 0.363 -0.365 0.153 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 -15.203 -13.672 6.583 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 -8.996 -25.434 -4.958 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 8.213 2.649 -1.729 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 3.085 16.052 5.239 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 -1.715 0.041 2.956 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 1.740 7.993 7.134 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 18.144 10.642 -5.949 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 -10.160 -9.231 17.758 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 -1.572 1.594 0.530 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 0.651 -1.036 -1.367 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 -4.971 -5.954 3.207 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 7.493 -2.596 1.904 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 6.139 6.955 -1.281 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 32.594 -10.435 20.803 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 -0.507 1.891 1.659 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 -13.229 -2.938 14.314 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 -1.309 -4.342 -9.124 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 5.423 2.107 2.785 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 0.742 -4.328 6.035 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 -9.001 -3.476 6.568 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 4.188 -4.447 -0.197 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 5.165 23.672 5.718 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 0.841 9.278 1.550 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 -0.587 -1.884 -1.249 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 -9.861 -18.037 -3.911 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 17.061 -8.620 3.590 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 -1.385 -8.037 0.602 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 4.459 25.517 -6.235 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 -22.478 11.236 18.639 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 4.940 -2.587 1.341 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 16.348 8.776 1.578 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 -15.789 -14.104 11.676 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 -1.590 -2.975 -2.682 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 -1.594 -4.539 -1.639 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 -0.814 -4.644 6.297 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 0.269 4.530 -1.603 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 9.272 3.356 -2.368 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 -0.714 -3.168 -14.552 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 -6.200 -2.751 3.761 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 -5.978 1.024 22.256 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 -16.974 -10.753 9.451 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 5.189 4.254 -3.711 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 -2.806 -4.125 -1.869 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 -5.497 6.443 -5.169 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 -5.313 -0.195 -4.058 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 -8.242 -3.363 -5.132 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 5.487 -5.473 17.892 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 -4.380 6.467 4.378 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 -4.420 6.486 -0.808 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 -2.514 2.441 3.414 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 -4.441 4.141 -0.895 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 -15.074 15.610 -14.420 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 -7.352 -10.088 -2.841 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 -3.334 -3.123 -3.082 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 -15.362 -9.889 -0.120 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 3.590 -14.372 -11.530 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 0.247 -5.417 -1.968 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 7.282 1.315 -2.844 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 2.644 -12.131 -8.449 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 -3.751 4.567 -3.180 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 -8.926 10.182 1.872 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 6.064 -5.569 9.842 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 -6.473 -1.417 -2.807 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 -1.326 2.476 1.716 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 0.463 9.454 12.053 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 0.343 8.488 -1.495 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 -7.126 19.617 9.016 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 -9.430 13.388 -7.234 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 0.008 -1.983 0.412 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 -11.398 -9.944 -8.729 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 5.154 -0.102 2.505 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 1.762 -1.770 -2.086 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 4.771 3.374 -11.595 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 -4.271 -6.785 -5.256 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 -1.561 0.214 0.583 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 12.731 -3.804 6.396 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 11.199 8.967 -4.494 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 0.309 -4.368 -3.391 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 -14.374 -32.588 -15.474 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 -22.817 26.661 35.238 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 -1.311 1.639 -0.707 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 9.080 -9.258 -5.995 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 -6.981 21.332 -17.946 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 3.875 -4.445 -2.874 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 0.898 0.490 4.577 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 -1.506 -9.992 -9.025 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 3.146 3.900 -4.982 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 0.693 0.691 -10.343 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 8.050 4.187 -4.224 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 0.365 -0.134 3.539 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 0.821 8.224 5.586 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 -2.379 -3.043 -6.692 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 0.124 -8.724 -4.219 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 -4.591 -17.978 1.677 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 3.325 -1.307 5.184 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 -0.525 1.671 -6.724 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 -4.461 2.534 -4.793 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 -8.500 -0.651 -7.108 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 -2.139 -0.345 -1.935 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 -0.428 -0.256 -0.858 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 3.284 -1.138 -10.209 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 1.328 2.695 7.371 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 -18.531 11.636 13.353 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 -11.017 -9.857 26.162 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 0.236 -2.766 1.929 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 5.892 -16.526 -4.854 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 -4.987 22.052 -7.402 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 6.022 3.778 3.286 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 15.170 -11.002 -5.499 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 33.920 16.845 5.479 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 -3.098 -3.046 -4.256 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 7.154 8.630 -14.208 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 -4.426 -17.986 4.826 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 -2.925 2.587 0.071 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 -17.126 -16.985 1.279 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 15.200 -2.839 -6.310 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 1.407 6.104 -2.412 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 8.239 -15.594 4.620 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 17.117 6.124 3.118 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 -0.055 4.264 -1.839 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 0.259 -24.987 15.465 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 8.720 -15.640 3.213 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 -10.745 -4.320 -1.295 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 6.188 -21.304 -2.136 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 -2.076 6.505 8.344 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 -0.152 -1.580 3.073 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 26.862 3.191 -4.968 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 -2.567 -4.147 3.827 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 -1.364 -7.393 -3.209 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 -22.660 1.598 -7.443 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 14.609 -6.651 -1.757 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 -2.998 -2.477 2.250 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 -11.889 -12.492 6.082 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 -8.568 -7.707 -3.197 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 -0.431 2.024 3.402 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 -13.707 -1.625 -1.136 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 7.373 20.216 10.419 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 1.100 -2.019 -4.551 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 6.708 14.857 4.918 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 8.442 3.851 12.548 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 2.576 -1.126 -0.687 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 -2.483 -1.310 3.283 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 1.452 7.146 -3.777 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 -8.559 3.345 2.477 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 23.818 -0.678 -19.973 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 -18.672 3.434 4.296 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 -4.740 -2.606 -0.504 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 -13.077 14.902 -32.956 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 -31.427 -25.284 1.901 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 0.518 -1.144 1.432 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 -14.179 -6.724 -11.490 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 13.293 0.725 -3.090 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 0.087 -0.423 0.447 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 -13.492 -6.068 -7.213 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 6.187 9.570 -2.922 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 2.833 0.636 -0.161 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 -19.112 -0.126 1.500 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 -3.089 -5.400 0.278 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 -0.804 9.410 -4.188 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 -2.203 -1.166 6.928 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 5.814 8.316 25.797 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 -1.424 3.317 4.317 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 0.815 1.884 3.426 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 0.873 3.567 7.631 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 -4.246 4.462 2.944 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 -3.586 5.082 2.287 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 -3.019 4.672 5.790 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 -5.659 5.177 2.995 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 13.191 0.474 2.597 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 -16.708 1.173 8.423 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 2.870 -2.191 -1.257 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 -5.752 -16.536 13.180 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 12.402 1.011 -0.362 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 4.074 7.543 -0.292 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 0.960 -0.751 5.518 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 0.582 -37.738 7.632 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 5.305 -3.898 0.347 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 -8.740 7.359 -21.021 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 12.213 -10.819 19.459 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 2.378 5.055 -1.390 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 31.974 14.778 -19.640 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 -6.326 -1.449 13.374 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 -6.156 -0.208 -1.889 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 -12.077 -8.775 -0.154 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 2.496 -2.880 14.087 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 2.228 -1.780 3.089 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 6.138 -16.947 -4.363 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 9.976 2.443 -6.918 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 2.624 7.085 4.019 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 3.176 -10.502 -2.630 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 3.706 18.765 4.115 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 2.048 -1.133 -3.062 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 11.198 10.307 -16.907 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 -8.693 -0.198 6.543 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 2.760 2.166 6.513 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 -7.486 17.417 -7.215 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 2.904 -3.543 5.898 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 -3.793 0.359 -11.165 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 -3.435 7.316 -8.730 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 -10.707 -16.114 5.120 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 -0.175 7.094 5.228 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 2.546 5.455 21.204 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 24.775 13.608 -17.703 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 3.904 -1.925 3.928 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 18.127 -12.620 4.077 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 -3.376 9.937 2.801 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 -3.920 11.507 2.583 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 -1.712 -10.922 9.527 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 8.616 10.247 9.422 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 2.525 -2.728 3.279 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 -10.795 0.688 15.641 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 4.045 12.178 -5.345 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 -6.002 0.584 -3.898 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 7.592 -16.976 5.420 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 -13.674 -1.122 -8.851 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 -0.463 3.039 -3.298 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 -5.312 -2.005 -3.134 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 15.927 13.590 8.560 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 0.595 6.040 0.891 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 3.487 15.317 16.939 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 -4.128 1.587 -4.255 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 -4.454 4.369 -9.387 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 9.464 -1.666 -19.908 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 -4.176 20.067 -14.968 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 0.780 4.217 1.050 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 2.600 16.097 18.178 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 -0.511 -12.338 -19.775 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 -3.219 4.965 4.810 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 -2.874 0.231 7.161 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 -1.378 10.190 -2.701 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 -7.442 -0.836 -3.578 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 -3.818 -13.471 -13.555 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 -7.559 2.566 15.013 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 -4.683 6.237 -0.150 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 -20.977 -7.729 6.308 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 -7.130 14.772 -6.028 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 -4.630 1.070 1.075 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 -7.865 0.880 0.687 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 -5.854 0.709 1.041 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 -2.421 -0.689 3.772 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 9.942 -5.538 -1.609 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 -8.066 2.021 -7.885 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 2.644 4.330 3.894 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 -17.534 -14.769 8.401 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 -5.071 -14.608 -16.966 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 -0.770 -5.413 4.468 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 18.295 -3.534 2.998 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 11.880 15.491 9.568 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 -5.244 4.457 0.305 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 14.201 -12.490 24.802 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 -5.799 5.477 -5.712 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 -4.131 1.766 6.101 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 -4.851 -0.018 -4.078 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 -10.217 -7.753 -8.817 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 -5.028 7.130 7.326 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 -18.463 6.728 0.639 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 -9.368 6.722 5.712 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 5.435 -3.667 -1.311 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 2.323 -0.528 2.630 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 0.895 -11.749 -11.473 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 -1.968 -6.351 0.346 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 -2.411 -9.285 -5.672 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 -14.940 10.735 16.859 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 -0.805 3.584 -0.298 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 10.637 -2.914 12.814 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 12.740 -0.808 -13.426 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 1.221 0.756 3.793 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 -15.915 3.335 -12.197 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 -12.759 9.833 -0.576 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 -4.318 -0.491 4.382 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 -1.056 1.015 9.279 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 1.033 -0.460 -7.793 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 2.461 4.132 -1.210 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 6.949 4.609 0.742 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 21.842 5.536 -15.395 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 0.308 2.759 0.968 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 2.416 8.185 3.618 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 -11.894 -18.078 -16.416 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 -0.595 0.869 0.256 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 -14.993 -3.726 1.254 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 1.247 13.102 9.716 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 -1.723 8.374 0.884 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 3.640 4.513 4.614 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 -1.939 -13.103 10.077 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 -1.498 1.900 -1.630 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 -7.210 -1.002 2.539 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 4.719 -2.318 0.316 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 4.770 1.680 -3.568 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 8.298 -6.419 3.202 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 1.339 -37.264 0.916 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 3.280 3.528 2.462 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 4.828 7.524 9.422 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 9.987 22.216 16.047 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 -1.771 -4.984 2.173 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 2.784 2.721 -9.307 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 -1.005 0.954 -10.639 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 1.950 9.768 -5.731 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 -22.233 -8.601 -7.971 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 10.855 7.833 -6.451 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 -2.213 6.447 2.848 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 -0.361 15.383 -1.883 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 10.699 8.577 14.438 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 1.868 1.203 -7.177 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 -5.646 8.420 0.658 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 17.341 12.651 -8.182 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 1.524 -2.509 -2.134 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 -5.008 -21.252 10.516 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 7.075 13.749 -12.589 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 1.646 1.882 8.528 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 16.820 -1.843 -2.974 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 -0.024 5.784 -14.305 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 -0.693 1.064 8.648 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 0.783 -22.133 -6.120 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 14.863 22.704 5.338 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 -0.368 2.341 4.927 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 -7.665 0.314 4.273 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 -16.167 -18.989 0.329 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 -3.693 -5.319 4.124 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 -5.624 -18.181 -2.392 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 -1.421 3.553 12.449 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 2.181 -1.124 4.013 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 16.165 -19.724 -17.250 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 16.836 -13.399 -35.739 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 -3.426 0.392 1.256 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 -9.915 7.754 8.120 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 8.941 -0.440 -8.801 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 8.298 -1.815 -1.708 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 6.715 2.066 10.040 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 -4.273 2.439 -10.537 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 2.004 -5.722 -1.474 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 -7.289 -5.001 18.214 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 -5.141 5.135 -12.824 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 0.660 -0.395 6.715 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 -2.605 -7.262 6.965 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 -16.517 6.827 -7.292 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 -3.253 -3.155 2.640 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 -3.811 2.853 4.198 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 -15.153 8.063 7.795 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 2.222 -0.267 0.475 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 1.461 22.180 12.109 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 18.356 0.091 21.821 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 4.334 2.508 5.257 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 1.153 -14.289 10.372 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 8.289 -10.660 14.146 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 -5.764 -2.065 0.127 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 5.241 4.960 -19.787 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 -3.146 1.260 -8.605 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 -1.874 4.384 -4.489 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 27.221 -17.135 -3.307 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 0.079 5.286 -0.013 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 10.282 0.266 9.302 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 23.195 5.285 24.870 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 -15.042 -8.938 -15.793 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 -0.726 -4.663 -2.584 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 10.908 -13.286 3.331 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 -10.422 4.179 -10.294 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 -1.238 1.137 -1.285 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 -7.101 -1.311 1.314 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 12.277 1.635 -2.164 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 -1.817 -5.278 5.325 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 -3.888 -7.186 5.559 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 -12.812 -1.292 9.269 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 -1.526 -0.666 -0.774 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 7.395 -0.566 -15.889 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 -16.757 -17.519 -4.656 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 -4.917 2.439 0.955 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 -11.476 13.010 4.053 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 6.490 -17.841 -13.028 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 3.026 6.780 -1.626 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 3.456 10.764 -7.107 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 1.316 -2.995 5.760 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 -0.492 -0.099 -4.101 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 -4.045 -1.016 2.743 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 -5.639 -18.762 3.292 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 -0.637 7.538 -5.351 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 14.020 4.457 -21.614 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 0.932 11.955 -5.316 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 1.263 2.580 4.900 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 -7.095 5.282 -6.408 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 -7.293 -6.010 -18.592 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 3.075 -3.878 -0.897 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 2.406 -8.162 3.494 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 -0.247 -4.442 -4.008 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 3.266 -5.954 3.246 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 5.988 -4.176 3.711 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 -17.455 -22.134 -1.318 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 -0.470 -0.510 2.793 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 0.463 1.263 10.618 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 4.908 -1.001 5.828 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 1.268 1.878 -0.479 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 4.426 15.509 -0.215 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 -11.912 3.828 4.432 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 -5.530 1.982 5.326 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 9.452 8.222 14.522 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 -12.135 13.643 -20.259 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 5.225 -1.866 -3.050 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 19.564 -1.772 1.012 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 -11.493 -16.581 0.240 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 -0.210 0.880 1.795 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 13.640 -4.302 -1.632 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 3.880 14.048 11.789 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 -0.181 -6.457 -3.078 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 -11.546 -25.001 -9.809 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 -4.716 19.462 8.151 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 -0.190 -0.097 -3.518 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 3.988 -1.645 -9.591 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 -11.427 10.973 -3.931 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 -0.049 -4.560 3.281 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 -11.474 0.649 -1.638 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 -22.647 2.613 28.034 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 -3.213 1.525 3.586 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 -3.861 -16.900 9.695 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 2.560 6.660 -11.253 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 1.895 1.250 -4.887 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 4.650 -3.748 12.662 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 15.270 -4.828 -13.094 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 4.918 0.114 -2.881 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 -7.962 -5.688 9.418 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 -4.961 -7.498 25.246 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 -1.284 3.044 2.259 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 -4.401 15.913 9.327 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 -11.133 -6.560 -2.769 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 2.349 0.437 -1.569 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 -2.411 8.617 16.977 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 0.946 -11.139 -14.230 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 -2.715 -2.287 -0.072 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 8.897 4.158 -2.993 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 -15.795 -20.549 -12.397 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 3.706 4.853 2.683 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 -16.807 12.735 -23.266 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 -3.911 10.348 -5.574 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 -2.117 1.405 1.041 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 -8.853 22.891 14.604 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 19.778 18.489 16.887 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 -0.229 -3.301 -4.099 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 3.978 4.162 4.482 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 14.656 15.901 -13.026 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 -0.966 -1.043 -0.589 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 2.375 -3.489 11.363 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 0.869 6.879 11.006 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 -2.318 3.886 -5.927 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 8.244 -10.375 -12.545 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 -13.270 -8.506 8.319 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 -1.323 -1.996 -3.760 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 -14.394 5.882 -6.070 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 1.576 4.705 -4.114 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 0.622 4.127 1.503 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 0.384 12.940 -11.679 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 -22.203 -13.260 -0.367 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 -3.413 -2.405 -2.225 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 -13.743 -4.009 -7.551 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 5.665 -2.086 20.028 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 0.557 -1.944 -2.174 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 21.619 -0.179 16.937 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 -17.924 -18.417 11.462 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 6.824 -0.282 5.928 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 9.959 -13.419 -3.877 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 8.204 2.227 -18.266 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 -0.390 1.959 8.154 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 17.764 4.228 9.825 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 6.869 -2.196 2.421 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 -0.631 5.454 5.202 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 1.245 5.476 7.758 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 -8.277 7.762 -8.090 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 3.201 -1.347 -2.701 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 0.983 1.532 3.088 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 0.744 -12.235 6.210 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 -0.557 0.274 1.935 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 -21.111 4.829 10.804 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 7.213 -3.574 7.227 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 -2.763 -2.300 6.523 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 2.255 7.021 10.553 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 -6.321 -5.311 2.221 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 2.183 -0.273 4.554 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 0.857 -14.190 12.443 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 4.085 1.533 -1.811 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 3.769 -4.762 -4.588 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 -1.032 8.541 25.103 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 -8.172 -15.715 12.071 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 -1.422 -0.309 0.760 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 -0.272 15.978 0.512 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 7.604 -0.115 -16.710 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 1.622 -3.172 4.548 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 26.128 -17.383 4.606 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 0.552 -26.419 15.029 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 -7.323 5.163 -0.229 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 -19.821 14.375 -22.354 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 14.378 8.955 -3.890 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 0.826 -3.054 3.327 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 2.585 -2.948 1.962 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 6.293 -2.793 1.175 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 -1.699 -7.065 1.463 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 -9.265 17.154 7.947 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 2.530 -0.133 9.162 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 -0.067 7.179 0.985 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 19.352 2.879 -0.919 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 5.709 14.529 18.477 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 0.166 -1.167 0.203 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 -5.354 -14.010 -0.236 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 3.637 11.158 3.612 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 5.723 -2.545 0.343 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 -3.249 -4.627 7.251 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 4.015 6.703 -6.014 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 5.063 0.320 -0.740 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 -3.960 -4.724 6.792 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 13.278 4.258 10.129 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 -3.367 6.164 4.221 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 -6.635 10.751 0.708 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 -3.068 5.698 4.776 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 -2.807 1.249 -0.241 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 5.441 17.972 -7.474 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 -12.946 6.169 18.222 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 1.233 0.701 -3.642 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 5.357 7.135 19.751 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 3.137 -7.513 -9.476 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 8.149 4.954 4.075 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 -6.653 1.318 -0.669 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 20.574 12.198 17.049 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 0.301 1.547 3.640 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 18.724 12.110 -9.727 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 -19.720 16.437 -0.160 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 -7.911 1.789 5.657 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 -7.128 1.239 3.976 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 -13.520 -5.010 27.964 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 -2.457 -3.891 -0.367 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 -18.773 0.751 -14.203 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 3.859 -9.455 -9.786 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 1.055 -2.486 0.984 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 -31.506 -8.841 21.394 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 -9.173 -3.895 6.935 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 -4.124 6.247 4.609 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 9.914 4.373 12.982 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 -2.768 17.797 33.902 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 2.460 -2.930 6.865 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 -20.457 11.823 11.648 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 -0.551 -19.538 25.076 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 0.264 -0.708 4.271 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 2.742 -2.010 -12.857 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 -12.067 -1.526 1.209 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 4.084 7.608 -2.821 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 4.958 -11.722 3.924 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 -4.501 23.477 7.464 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 4.250 -3.613 -2.710 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 10.618 -6.796 -0.595 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 -1.194 1.238 -5.761 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 -3.684 -0.639 -2.080 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 -2.951 -4.702 -6.651 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 2.613 -2.337 -3.390 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 -2.819 -5.336 2.675 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 14.825 -21.525 9.662 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 0.990 -8.814 5.299 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 1.806 -5.290 2.337 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 -1.487 -0.912 1.716 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 -12.118 -9.464 15.038 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 4.895 1.111 -0.234 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 1.623 -3.519 -16.445 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 0.534 22.616 -23.307 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 -2.845 -0.588 4.996 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 16.331 -12.743 -7.756 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 -9.422 -19.918 -5.698 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 -0.776 -1.881 5.902 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 -7.702 2.828 -9.532 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 1.214 1.109 8.948 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 -2.035 -0.136 1.622 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 -32.587 -9.381 16.361 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 8.633 -9.528 0.356 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 -6.726 -0.837 1.916 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 -1.260 9.409 -12.868 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 1.394 14.017 -19.494 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 1.362 -1.316 -0.133 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 6.704 -1.458 12.817 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 12.769 3.346 -11.143 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 6.366 1.340 5.351 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 1.312 1.267 6.105 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 12.671 -1.098 3.657 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 3.311 1.719 2.893 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 -14.643 -11.413 -9.028 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 24.156 -8.513 8.591 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 4.180 0.880 1.240 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 10.487 13.584 0.390 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 -6.676 -27.962 2.224 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 1.699 -0.652 2.131 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 11.343 -5.928 29.509 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 7.541 0.242 -2.528 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 4.148 3.457 5.378 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 26.122 10.548 -2.252 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 8.514 -5.184 -16.647 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 -5.123 1.626 3.345 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 12.251 2.851 -1.778 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 -5.029 -19.213 10.584 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 6.941 0.846 1.968 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 -23.229 -13.642 4.204 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 13.264 14.039 4.096 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 -0.241 -1.930 1.163 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 4.592 -26.917 -14.390 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 8.067 -2.216 13.155 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 5.343 -6.292 -0.345 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 4.551 -2.109 -2.886 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 5.238 -1.737 -2.649 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 -2.622 -0.808 -2.103 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 -9.901 -4.600 -8.302 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 -2.108 7.099 -7.667 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 2.278 1.654 0.597 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 8.805 -10.633 -22.064 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 -11.626 -42.345 4.973 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 -1.693 2.312 -1.385 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 2.486 -8.358 -15.914 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 2.722 10.805 -7.899 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 2.415 -3.686 -2.602 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 1.475 -12.320 3.922 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 6.435 5.982 -9.555 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 1.818 -1.841 -6.490 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 -7.168 -2.105 26.525 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 0.909 2.900 6.699 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 -3.525 6.180 0.040 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 21.500 12.844 8.499 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 -25.510 -6.066 -1.043 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 -1.582 -3.448 3.692 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 10.070 0.716 16.676 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 3.870 -19.464 -0.594 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 -0.564 -2.276 1.503 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 -1.570 -6.829 -7.548 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 -3.478 -13.511 11.145 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 8.894 -0.453 -0.887 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 7.856 -6.939 1.510 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 0.717 25.014 -10.190 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 -3.877 3.221 -10.763 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 10.707 -8.810 -12.797 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 -1.120 -7.713 -1.723 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 -1.033 11.611 0.483 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 -1.155 1.300 -8.288 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 -6.410 6.696 10.582 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 -5.425 0.688 0.642 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 -3.191 -16.256 6.383 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 -12.703 7.749 -5.738 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 0.500 -9.110 -1.899 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 -4.187 -7.045 -4.224 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 -1.331 -9.158 3.852 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 0.402 4.575 -0.657 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 8.851 7.077 1.930 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 -3.179 6.521 0.853 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 -0.098 0.288 -9.221 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 -14.321 -2.455 -12.272 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 1.820 13.679 -1.851 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 -0.379 6.622 3.645 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 -0.185 1.234 5.181 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 -0.380 -16.028 4.751 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 -0.001 4.393 -4.138 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 12.389 7.699 -9.795 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 -0.178 12.294 4.844 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 0.165 -4.597 -5.979 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 -2.177 -14.926 -4.226 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 -1.468 8.240 4.019 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 4.899 -2.238 -8.478 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 -9.552 -6.601 -13.043 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 11.207 -13.333 29.913 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 -1.356 1.031 1.641 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 13.947 -23.763 3.458 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 21.718 -1.583 -0.151 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 -0.075 2.427 -1.712 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 6.007 -3.996 -28.661 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 -10.376 -3.350 -1.091 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 1.893 -3.528 -0.222 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 7.222 -2.083 -1.560 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 -11.388 -10.584 8.457 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 -0.818 -6.528 0.032 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 13.500 -19.716 -9.100 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 -1.407 10.150 17.877 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 4.639 2.711 0.844 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 15.911 11.029 1.177 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 12.266 1.306 11.919 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 -2.493 -0.643 3.296 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 4.302 -16.031 2.934 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 13.519 5.392 -0.166 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 -0.459 2.370 -6.784 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 -6.270 3.272 4.367 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 -3.115 -6.823 -23.524 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 -3.126 -1.734 -2.014 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 -30.582 -10.400 -4.314 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 -4.817 -5.283 -4.522 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 -2.283 -2.931 -4.909 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 -0.495 14.444 0.538 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 -5.009 13.359 13.166 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 1.237 2.900 -0.307 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 -15.618 -0.127 -26.730 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 8.398 5.482 15.502 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 3.292 3.884 7.768 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 -17.412 11.648 -16.447 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 11.844 2.026 28.143 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 -3.868 4.399 -3.284 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 -19.180 18.757 14.037 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 -8.214 9.613 -15.283 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 4.514 3.532 -4.385 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 24.061 -11.508 -16.566 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 -8.373 -13.172 6.474 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 -0.771 2.084 5.470 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 -1.107 -2.122 7.755 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 -2.996 3.323 2.570 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 2.155 -1.331 2.836 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 -13.460 2.433 0.398 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 -12.307 -8.934 -6.554 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 -2.694 0.109 -6.788 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 -22.903 3.239 13.244 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 5.790 12.932 12.461 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 -1.832 -0.969 -5.282 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 4.268 7.941 -7.585 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 24.541 -8.745 9.142 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 -11.203 6.347 -1.984 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 -7.978 -1.089 18.247 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 13.993 7.588 -5.701 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 -3.151 5.695 -5.156 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 -1.662 -17.790 36.216 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 -22.045 -14.645 -12.200 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 -1.823 1.376 -2.700 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 16.212 32.162 14.730 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 -5.294 -7.767 17.492 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 -5.939 -7.062 -1.507 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 -0.856 -2.535 -12.533 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 -5.705 14.476 4.488 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 -0.125 -3.751 -4.426 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 4.428 -7.093 -3.794 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 -5.967 1.007 0.998 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 -2.798 -1.973 -5.614 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 6.987 -9.140 -5.924 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 20.800 -4.386 -26.925 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 -5.235 0.227 4.409 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 0.450 -16.262 14.608 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 -12.480 -10.141 -9.267 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 -3.057 3.196 -5.047 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 -6.965 -9.459 -5.361 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 -2.422 -6.152 -4.424 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 -3.329 -5.592 1.093 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 -5.038 -1.467 -9.522 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 -5.617 -4.178 7.721 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 -3.302 -4.500 -1.343 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 -9.037 -4.060 -11.294 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 1.126 9.607 -15.302 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 0.456 -3.211 -3.829 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 -6.956 9.113 -1.790 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 18.677 12.510 -17.908 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 -2.596 -2.496 -1.012 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 6.248 9.287 -5.729 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 -6.626 4.999 -6.751 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 5.890 -1.696 -3.504 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 9.477 -20.153 0.587 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 -17.097 -1.463 -12.876 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 0.598 5.973 1.855 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 -4.225 -4.457 13.226 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 -8.347 -1.078 -7.311 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 -6.597 2.835 -1.527 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 -4.107 9.529 2.764 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 5.642 4.376 2.856 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 2.774 7.187 -4.320 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 -12.153 -5.244 14.643 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 -0.905 4.137 0.043 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 -2.653 7.103 -0.190 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 -14.585 17.517 1.359 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 -6.039 1.904 -0.328 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 -0.031 2.021 -7.179 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 9.605 10.103 -12.632 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 7.435 -2.019 5.693 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 7.868 0.242 -1.710 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 2.717 5.750 -1.221 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 -21.210 -1.679 -16.621 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 -5.665 -5.265 -4.491 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 4.774 1.982 21.540 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 -6.984 5.925 8.274 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 3.651 -1.295 7.601 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 -13.462 -7.365 -1.601 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 -15.291 -8.081 -2.560 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 -0.146 -3.305 1.391 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 1.154 -18.692 0.604 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 -11.838 1.858 -2.646 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 3.449 1.724 3.353 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 6.415 3.114 4.654 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 -5.614 3.505 -5.667 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 -0.494 -0.615 -0.483 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 18.414 13.048 23.624 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 -12.499 -1.099 -13.011 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 -3.153 -8.224 0.621 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 27.879 -19.081 -6.091 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 5.878 4.023 11.629 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 -4.764 -3.974 -8.333 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 -1.694 -3.137 -6.258 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 -28.058 0.752 -7.053 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 -4.856 -0.328 -4.679 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 0.855 -5.790 -4.472 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 0.013 -6.066 -8.708 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 -0.108 1.904 -3.154 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 -1.552 7.161 -3.380 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 -8.041 -10.295 4.581 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 -2.881 1.199 1.535 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 -12.619 0.967 1.893 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 0.429 -4.941 6.227 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 7.355 3.356 5.582 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 6.152 6.233 12.911 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 8.063 2.982 -0.149 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 -4.727 -0.653 -4.886 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 -3.164 10.411 -1.051 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 -2.122 12.735 -8.438 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 -0.431 2.169 -0.367 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 -9.680 -12.941 5.660 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 0.569 -0.514 0.800 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 0.318 -4.191 -1.682 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 21.129 7.000 -5.127 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 4.774 -6.982 -3.658 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 -3.487 3.560 7.578 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 -14.177 -5.363 13.163 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 7.284 13.649 3.033 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 -0.896 3.956 -0.463 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 -3.414 5.612 9.717 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 1.048 2.514 -14.213 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 0.435 -3.865 -0.095 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 1.063 -7.731 1.744 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 -2.013 -10.232 -5.409 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 2.194 6.430 5.411 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 -6.413 -12.067 4.238 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 23.127 -10.842 -9.193 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 4.175 -3.658 1.863 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 -3.323 -2.771 4.411 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 -0.866 -1.451 -3.494 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 -0.242 -0.541 3.321 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 7.095 0.083 0.960 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 -2.444 1.566 4.156 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 -3.556 -0.801 1.873 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 -14.979 -6.073 3.443 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 0.671 11.142 7.422 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 1.242 -0.259 6.552 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 -10.449 -9.835 15.885 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 4.702 -39.550 0.262 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 -4.990 -0.660 -0.069 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 7.364 1.831 11.087 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 11.671 -5.532 1.984 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 -5.200 -2.448 4.927 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 6.211 -2.600 5.876 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 -2.124 -6.374 1.750 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 2.170 7.237 -4.714 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 14.110 7.282 -6.599 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 -1.897 -1.499 -0.847 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 4.919 1.709 2.771 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 -15.797 16.188 11.749 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 7.498 0.090 -17.737 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 0.084 0.444 2.659 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 11.690 -2.757 14.567 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 13.565 10.932 10.371 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 5.691 0.744 0.403 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 5.713 0.538 -0.547 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 2.611 0.740 5.336 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 0.047 0.102 -3.246 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 -2.310 -25.845 -10.935 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 -8.493 -12.918 -7.146 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 0.598 -2.661 2.787 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 24.616 -4.844 13.778 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 -2.214 -3.794 1.782 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 -3.383 6.527 2.604 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 -6.751 2.298 -24.923 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 4.520 -2.568 1.729 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 -0.925 3.635 -1.499 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 18.544 -19.595 16.528 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 10.416 22.068 -7.924 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 2.023 -1.917 -3.999 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 -4.007 -6.562 -7.766 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 -5.408 -8.665 -11.637 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 -3.241 4.477 5.238 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 -2.932 3.281 -2.138 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 -1.986 4.611 8.338 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 -2.106 -1.226 -8.022 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 -14.200 12.639 -7.077 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 -12.186 1.199 -0.571 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 -7.473 0.504 0.196 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 9.403 -3.587 -2.246 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 -4.593 -1.162 -14.210 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 0.328 -1.689 -2.010 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 18.328 -10.455 -10.563 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 -19.011 -1.183 -9.807 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 -2.813 7.128 3.253 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 -2.552 22.902 13.511 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 25.489 -8.218 -12.252 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 -4.056 -2.171 2.467 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 -22.586 -8.024 11.909 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 -8.635 10.218 35.983 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 2.241 -6.882 8.433 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 10.615 -3.742 -4.745 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 4.605 -8.015 16.526 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 -12.146 -4.176 -5.383 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 -15.826 16.594 -26.121 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 -31.610 1.002 16.107 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 -2.014 5.609 -3.960 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 -3.066 -0.996 2.399 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 -22.683 -4.838 -0.347 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 -2.461 -2.098 -2.344 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 3.344 6.006 -7.355 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 -13.008 12.535 -7.973 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 -1.924 -1.288 -4.455 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 1.151 -5.552 6.981 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 -7.790 -14.821 13.346 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 1.033 -2.333 -1.040 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 3.572 13.325 -26.782 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 -32.069 -17.581 -20.194 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 3.461 -2.593 -0.762 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 -17.848 20.934 9.936 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 -12.631 -8.758 -17.426 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 -0.940 -0.787 2.706 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 -1.514 -8.916 -12.204 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 -5.767 -13.329 -17.619 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 -3.055 -2.183 9.340 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 -4.222 8.143 6.586 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 1.052 -3.728 3.629 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 -0.247 0.478 -3.363 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 -8.747 7.939 -3.421 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 -20.897 -7.498 11.122 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 -3.383 8.617 6.700 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 14.936 13.980 9.347 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 -19.967 3.227 4.452 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 6.437 -0.266 -0.336 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 7.603 1.333 -4.508 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 4.252 -3.302 8.315 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 2.666 -3.715 1.009 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 8.087 -10.431 -8.251 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 12.046 -4.259 11.967 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 -11.961 2.072 -5.773 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 -6.257 1.047 -10.280 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 -4.199 -2.859 2.903 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 6.010 2.643 5.955 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 8.656 -9.143 3.483 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 3.881 12.342 -0.152 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 -5.856 3.441 3.792 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 -16.431 3.639 2.323 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 -2.382 -7.233 -5.289 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 0.017 0.677 -2.719 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 7.440 4.858 -12.111 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 4.695 3.447 9.256 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 -4.529 1.329 9.026 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 -8.821 5.855 12.714 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 -7.260 4.793 13.020 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 3.413 -2.883 2.444 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 6.184 -16.846 -11.066 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 16.944 8.869 -1.089 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 -2.272 -7.233 -1.250 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 -5.061 -2.917 16.427 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 -19.134 -16.486 -4.537 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 4.009 0.282 3.171 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 6.774 9.591 -1.552 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 13.205 -3.371 2.893 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 4.267 1.884 0.998 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 13.906 35.039 -5.567 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 10.824 15.201 3.834 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 -3.515 0.572 0.630 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 10.827 3.758 8.700 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 -16.516 7.929 23.353 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 5.125 -1.312 8.036 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 8.001 -17.359 3.834 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 -6.342 0.827 -8.226 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 -0.558 -3.002 0.821 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 3.122 -0.408 -3.004 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 -0.187 -7.627 4.718 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 0.868 0.696 3.464 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 -14.890 -3.930 -11.678 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 -11.697 -9.888 -0.996 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 2.021 -3.014 -2.742 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 -3.470 -7.044 -5.307 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 -16.163 -1.199 -9.575 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 3.935 5.800 -4.872 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 -17.862 -14.337 -1.951 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 -12.579 -11.391 -3.371 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 7.809 1.053 1.475 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 -2.336 -5.549 -9.816 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 3.131 -4.073 5.893 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 -0.998 1.361 -1.787 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 4.074 -6.489 0.131 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 -7.560 0.605 7.942 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 3.339 -2.243 0.442 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 2.739 2.837 8.534 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 8.115 -39.011 -34.334 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 2.986 4.410 -1.894 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 -12.725 -1.797 -5.488 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 -0.519 17.661 5.340 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 1.539 -4.370 2.105 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 -13.250 -15.769 7.291 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 -5.654 11.067 -7.104 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 1.712 -4.664 -0.313 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 22.058 11.809 14.671 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 9.470 -21.776 15.464 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 -2.201 -5.520 -0.304 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 -8.287 -5.779 9.643 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 -5.944 -0.907 -13.087 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 -1.688 1.246 -3.595 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 8.807 2.795 -13.996 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 11.272 -23.253 3.603 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 -1.385 -3.656 2.315 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 -7.981 -9.005 15.228 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 -2.462 -6.812 -10.086 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 3.896 4.545 2.692 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 26.915 9.967 -1.861 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 9.715 -15.342 -6.739 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 0.623 2.922 4.296 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 -21.790 5.450 4.847 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 -11.039 -5.994 1.428 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 -1.987 -2.876 2.096 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 -1.490 -2.061 -24.254 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 5.031 -9.683 2.416 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 -4.762 0.698 -2.633 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 -3.930 10.695 9.179 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 20.792 3.859 1.743 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 -3.191 4.223 3.549 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 -2.532 -0.253 8.286 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 -2.134 7.730 0.292 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 -0.034 0.896 3.272 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 0.603 7.429 1.593 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 -10.448 4.306 8.350 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 4.823 1.280 -0.555 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 -20.311 8.844 -10.796 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 -7.705 30.511 -7.247 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 2.341 -2.550 -2.636 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 -6.196 2.258 -5.909 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 -0.314 -13.370 -5.790 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 4.357 0.437 1.939 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 10.948 -7.058 -6.529 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 -2.632 5.068 9.517 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 9.142 0.818 5.639 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 9.710 -1.425 4.901 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 9.121 4.205 6.706 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 3.300 -5.769 1.806 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 0.096 -4.806 -3.416 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 0.376 -2.786 5.380 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 -4.944 3.466 3.365 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 7.315 -5.609 3.461 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 -8.405 12.066 -5.086 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 1.659 -0.106 -1.647 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 9.883 4.112 -7.017 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 -5.541 -1.054 -6.890 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 -2.849 -1.319 -4.530 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 8.134 -0.905 -7.111 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 -20.230 -0.367 -11.371 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 -3.690 -2.174 4.592 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 -17.453 -13.254 6.217 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 -1.674 1.308 -7.277 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 6.149 2.888 5.860 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 3.669 13.582 -7.376 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 9.468 -7.598 9.390 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 -4.439 3.219 -0.198 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 -2.786 3.328 -5.454 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 9.038 -11.169 -2.063 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 -3.091 0.207 -3.164 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 -3.153 14.889 -5.071 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 17.611 2.886 7.264 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 4.248 -2.617 3.992 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 4.749 -14.405 -7.211 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 11.290 3.553 -0.136 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 -0.478 -0.576 -7.683 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 -2.759 1.763 7.482 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 23.021 0.634 -12.652 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 -0.174 -1.308 1.236 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 -14.811 18.173 17.530 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 9.172 -1.560 -0.479 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 4.328 -8.237 1.982 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 7.450 6.012 -10.681 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 -12.441 -8.628 -15.932 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 -0.059 -1.652 -0.982 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 5.330 14.418 -9.587 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 -8.073 -34.444 18.593 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 -4.709 1.153 -1.408 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 -25.675 -5.836 -13.467 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 12.798 -19.922 -4.405 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 4.239 -0.965 5.548 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 1.881 5.903 1.908 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 -1.651 17.739 22.283 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 6.142 -0.342 6.215 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 6.670 14.189 7.517 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 10.834 -4.580 17.952 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 -2.206 3.638 2.137 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 -6.774 1.056 4.214 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 10.947 12.532 -4.660 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 -1.892 -0.700 3.005 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 -15.833 -0.495 -13.559 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 -11.635 -11.762 18.493 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 -5.846 1.366 1.647 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 0.613 -9.944 -0.681 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 -11.213 -2.310 -14.005 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 -2.222 -2.234 -0.963 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 2.589 -8.314 -2.640 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 -20.140 -0.729 9.015 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 7.461 -0.530 4.907 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 9.748 3.660 -5.636 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 -9.223 6.036 -7.838 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 6.307 -1.004 0.568 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 16.432 15.229 -16.693 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 -5.215 -27.056 -25.949 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 -3.115 -5.941 0.276 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 0.768 -0.101 -14.822 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 -14.368 -12.346 -13.704 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 -1.393 3.324 -4.539 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 14.617 10.121 -6.782 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 5.765 -6.963 -10.246 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 1.513 -1.214 -6.141 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 4.973 4.910 6.230 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 -20.106 9.272 -1.505 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 4.116 2.130 -0.082 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 2.809 -1.741 -1.445 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 0.814 3.160 0.826 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 1.288 1.291 -6.245 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 -3.530 0.091 -7.325 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 5.258 1.193 -5.274 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 2.301 2.506 2.781 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 4.629 6.853 -11.152 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 -10.443 7.695 6.713 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 6.369 -9.830 -0.904 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 -0.532 -11.283 16.376 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 14.001 -3.913 2.885 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 0.401 0.035 -8.417 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 -9.047 5.510 12.185 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 11.275 -10.040 12.207 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 8.149 12.644 5.512 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 14.172 -4.865 17.229 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 2.370 7.157 -8.135 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 -5.191 -4.116 -3.180 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 -14.528 14.407 -6.233 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 1.716 -10.765 -25.047 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 -8.635 3.168 -0.383 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 -6.999 17.151 -7.753 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 2.538 -9.432 16.845 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 3.659 2.923 2.669 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 18.120 5.979 -1.709 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 8.740 -0.048 -7.834 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 -0.077 8.201 -2.263 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 -5.937 -0.572 -5.318 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 8.462 13.824 3.616 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 0.011 -2.776 4.241 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 -6.885 -1.279 10.498 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 11.335 -14.367 12.275 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 0.330 1.861 8.524 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 -2.463 1.142 11.253 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 -19.785 -0.487 17.294 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 5.245 2.683 -7.531 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 6.490 -8.825 -6.389 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 -10.217 -2.204 -11.606 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 -5.829 -3.534 4.284 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 -10.492 -16.989 6.150 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 5.889 -6.076 -0.107 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 -7.395 -2.947 -0.495 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 3.144 -15.287 -8.333 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 -17.996 2.609 12.461 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 3.584 -2.508 -5.168 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 10.237 -0.748 -5.853 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 5.685 -4.572 -13.994 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 6.177 -1.129 -5.795 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 13.209 -11.353 0.380 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 -4.653 -4.201 -9.014 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 -1.276 1.768 -4.571 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 15.923 -20.845 30.480 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 -1.924 10.708 2.285 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 -0.565 4.135 3.333 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 -1.798 4.282 0.912 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 2.844 -21.774 8.037 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 3.797 -2.669 -1.923 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 -5.619 3.425 -6.462 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 -1.815 2.391 2.993 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 1.667 -2.798 2.304 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 8.738 -5.838 13.201 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 -24.774 -9.551 0.297 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 -0.841 2.139 -4.504 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 -5.096 7.225 6.952 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 4.031 1.738 4.687 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 1.604 -3.835 3.193 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 -4.526 -1.585 2.830 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 6.206 -1.217 10.430 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 -1.361 0.133 -2.175 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 -8.913 -0.267 0.441 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 -13.938 1.337 3.251 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 -3.870 -4.040 -2.307 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 4.326 -9.514 -8.660 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 -3.438 2.222 4.531 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 -4.688 -1.650 4.650 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 2.650 21.998 -0.472 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 -7.612 -9.291 4.585 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 -2.338 -2.488 -2.396 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 -9.577 3.746 4.448 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 0.289 -19.552 -7.894 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 -1.441 -1.595 -4.528 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 -2.039 0.519 -6.518 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 5.092 -0.216 18.963 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 -2.978 0.755 4.907 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 6.924 32.536 12.770 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 -1.722 -8.832 5.672 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 -0.816 0.098 4.818 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 -25.759 1.441 14.061 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 -6.646 -2.614 6.445 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 -3.214 0.348 -5.033 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 2.431 -9.673 3.247 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 -13.222 -1.916 -9.164 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 2.603 -2.575 -1.818 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 -3.782 22.491 -16.087 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 11.719 -21.391 2.753 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 2.082 1.626 0.105 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 27.834 -1.602 14.006 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 -3.219 6.520 -0.191 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 -1.888 3.124 -2.841 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 16.936 -12.534 -12.733 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 20.897 8.689 19.946 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 1.521 -6.972 -2.953 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 22.030 11.745 -3.934 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 -19.599 -11.799 12.092 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 1.746 -6.233 3.890 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 10.323 -9.130 -20.665 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 -9.758 12.947 5.412 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 -6.111 -1.137 -6.045 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 -1.423 -15.923 7.281 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 1.368 -5.930 6.490 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 4.672 -0.566 -0.180 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 18.348 -5.646 -3.918 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 -12.359 -15.107 -1.926 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 4.723 2.898 -0.932 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 14.543 1.100 -15.146 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 17.998 13.237 -11.090 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 3.302 -0.568 -2.455 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 30.133 4.804 24.027 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 12.786 -0.692 -15.262 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 10.369 -2.311 2.054 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 19.285 18.732 -5.273 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 5.574 -12.815 7.982 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 -0.043 -2.810 0.845 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 -4.611 6.603 -0.944 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 7.867 2.548 -7.115 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 -2.986 -4.412 3.122 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 3.440 -7.912 1.153 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 -5.203 0.154 -1.321 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 2.559 -1.343 -2.779 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 6.584 -8.203 -11.361 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 26.634 -4.262 -6.170 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 -4.848 -4.769 3.968 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 12.104 -3.740 10.566 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 12.166 -0.057 6.112 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 4.800 2.645 2.213 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 -8.402 3.564 13.995 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 -6.077 -30.387 4.641 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 -2.717 -7.262 -1.978 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 -7.669 -12.404 4.107 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 -11.629 -14.997 -10.748 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 -4.869 4.221 0.411 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 -0.516 0.946 -19.761 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 -12.846 10.395 8.122 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 5.790 -0.742 2.329 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 25.892 -30.948 2.852 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 6.598 -0.388 1.636 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 2.049 3.064 -5.045 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 7.398 20.395 -7.959 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 -5.209 -22.184 -1.375 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 0.316 -5.384 2.554 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 0.000 -15.481 6.132 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 4.610 -7.455 -9.310 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 1.932 -1.494 6.033 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 -0.024 6.950 2.849 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 15.353 -2.213 -25.536 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 0.500 -5.203 -2.463 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 15.430 -0.934 -17.951 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 -0.546 3.443 -0.004 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 0.684 -0.216 1.913 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 -15.454 12.600 -2.471 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 0.729 -6.397 -9.855 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 -4.268 4.832 -9.313 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 -7.722 4.258 -24.517 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 -8.907 0.234 -7.340 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 -2.814 -2.577 -2.557 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 16.201 -1.469 9.391 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 9.723 7.307 17.533 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 -0.889 -2.431 5.232 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 4.865 -11.379 10.176 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 2.236 -13.447 1.941 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 -6.353 -4.588 -1.904 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 32.746 -9.207 8.562 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 23.668 -16.751 30.886 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 -2.257 -4.584 1.797 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 -10.895 3.845 -15.945 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 9.578 14.060 -8.298 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 3.630 4.994 -5.819 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 -5.025 6.762 -14.041 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 8.519 -3.521 13.662 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 -3.089 -5.375 3.891 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 -17.233 -5.193 2.479 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 4.454 -4.374 4.925 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 -3.912 -2.291 -1.618 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 1.310 -5.801 13.358 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 13.370 -19.012 5.667 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 4.212 -0.301 -0.301 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 2.101 -13.450 -4.075 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 3.934 -6.087 -4.760 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 2.257 1.590 1.221 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 -1.254 2.456 9.336 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 -0.333 3.437 24.477 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 5.111 -0.292 5.919 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 -7.581 -3.506 27.405 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 4.396 2.878 4.071 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 0.200 -1.650 -0.254 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 -19.689 9.548 3.460 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 -6.190 -14.453 -9.008 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 -1.646 -3.357 -5.873 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 -15.016 -6.846 10.983 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 -5.398 -15.092 21.146 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 -0.432 7.563 0.096 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 7.390 3.697 -7.106 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 -3.925 -3.746 -7.853 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 1.527 -1.493 -3.241 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 5.036 -5.864 -12.441 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 -2.315 2.814 9.655 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 1.456 -2.471 0.129 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 2.092 -14.393 -0.982 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 4.991 -2.325 2.447 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 2.391 -0.340 1.897 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 4.940 7.467 -1.200 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 0.598 9.676 1.796 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 -3.405 2.855 -0.180 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 1.922 9.970 -2.669 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 11.589 21.778 -6.137 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 5.997 -1.592 -7.216 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 6.734 10.210 -1.194 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 -3.557 1.553 -12.851 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 -1.145 -5.529 4.843 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 2.888 6.255 -4.302 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 -10.056 25.785 -17.709 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 -0.056 3.000 -2.340 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 -3.378 -11.594 14.457 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 29.211 19.678 -4.561 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 -7.027 6.939 -8.378 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 16.152 -2.560 -11.132 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 12.510 31.601 -0.042 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 0.437 -6.202 -2.373 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 3.947 4.799 4.696 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 14.648 -5.993 -14.330 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 -1.926 -1.843 1.019 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 -39.335 9.111 -31.247 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 -10.490 -0.296 -2.111 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 1.474 6.314 2.981 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 15.268 -3.604 -9.886 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 -3.034 -1.885 29.614 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 2.621 2.228 6.200 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 -4.293 4.618 -1.572 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 14.324 1.525 -9.724 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 5.192 1.688 -3.128 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 6.938 -7.305 1.472 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 19.405 -0.931 -1.802 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 7.052 1.073 2.470 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 31.555 5.644 -4.007 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 -6.327 -4.462 -14.641 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 2.730 -3.657 -3.660 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 2.704 3.514 -15.243 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 11.950 7.922 18.223 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 -4.388 0.269 0.840 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 -6.886 -20.241 -3.554 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 -18.317 5.618 9.169 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 2.259 1.396 0.681 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 -12.213 11.633 5.327 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 -7.991 -9.271 -13.362 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 5.874 2.556 0.592 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 9.099 11.249 -8.037 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 2.100 -11.818 5.469 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 0.484 4.957 -0.860 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 0.117 -2.105 -0.421 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 -4.592 7.669 4.604 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 1.217 1.808 0.771 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 1.872 1.269 2.588 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 4.404 10.907 5.816 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 -0.190 1.147 3.120 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 -8.758 15.522 5.939 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 -11.296 -9.836 2.245 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 -1.791 -3.870 3.052 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 6.406 -6.683 13.595 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 -10.960 -8.429 -3.792 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 -8.967 4.085 -4.197 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 11.244 16.027 -3.885 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 0.269 -6.187 19.113 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 0.668 -0.991 -0.268 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 4.606 5.918 1.802 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 -5.439 -15.374 -4.070 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 2.818 -3.732 5.593 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 -19.141 -4.713 -8.741 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 8.915 19.643 21.686 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 5.724 -5.267 -2.063 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 5.553 -0.954 2.291 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 -40.158 -5.225 -0.555 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 -3.168 3.415 2.083 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 -21.069 -7.279 13.235 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 -11.202 28.207 -14.175 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 2.201 0.627 -5.700 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 3.904 -15.008 -1.723 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 1.754 6.968 7.216 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 3.714 -3.728 -1.487 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 -10.854 3.129 -0.062 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 12.608 -7.165 5.548 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 -1.113 1.840 -0.388 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 8.736 -11.389 -6.660 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 -10.907 7.217 -12.974 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 -1.871 -0.798 -0.689 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 22.236 -20.651 -6.062 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 -2.976 -4.051 -3.578 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 8.113 -0.540 8.382 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 9.852 -3.462 -0.915 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 10.552 -2.602 15.481 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 0.665 -0.149 6.468 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 0.801 -9.215 -2.815 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 -3.341 -5.334 -3.532 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 -0.214 -1.461 -5.479 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 9.994 -5.203 -23.306 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 -12.437 11.707 8.756 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 -4.613 0.522 2.721 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 -12.917 1.185 4.628 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 -8.310 -4.535 -13.946 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 -3.912 -0.153 1.093 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 8.123 1.768 2.042 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 -9.192 5.620 -10.419 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 -1.899 -5.183 2.297 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 11.394 -2.066 -5.858 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 -10.466 -3.259 2.868 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 4.183 -8.610 3.002 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 3.623 38.597 -3.660 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 2.802 -21.807 5.473 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 3.760 5.993 5.698 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 -4.120 11.139 -8.129 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 -1.516 -17.290 -34.288 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 0.856 -5.705 -0.817 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 -5.991 -11.385 8.100 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 -11.312 0.422 -10.091 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 6.474 -1.589 3.113 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 0.686 3.104 31.411 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 11.503 -5.242 -36.524 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 2.162 -1.053 -6.810 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 1.803 -2.721 -8.100 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 -0.303 10.890 -4.254 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 -6.266 -2.266 -0.732 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 0.234 -17.155 5.566 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 8.746 -28.667 24.545 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 -2.737 0.313 2.066 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 4.517 1.291 3.424 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 5.329 2.405 -0.080 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 2.905 -0.468 -3.476 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 -5.799 -20.574 5.486 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 -7.984 -25.528 7.869 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 4.836 -2.113 1.555 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 20.360 -10.007 2.001 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 25.857 -13.477 7.147 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 -3.417 -4.255 2.503 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 17.172 -13.487 -6.085 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 -5.192 -6.266 2.843 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 -2.337 0.926 0.514 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 -1.890 13.221 11.861 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 -5.114 4.896 -19.004 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 -4.618 3.744 -1.346 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 8.441 -4.286 10.799 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 -5.765 9.560 -4.300 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 7.421 -1.208 -0.583 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 21.202 -4.237 6.606 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 0.487 -9.658 2.662 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 0.408 -7.395 1.359 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 4.839 15.576 -9.172 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 28.064 14.210 4.576 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 -0.408 -4.689 -3.902 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 12.276 16.510 -27.706 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 -16.316 10.418 7.086 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 0.075 2.731 -5.011 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 -3.026 -5.420 -10.487 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 -15.814 -4.701 -18.490 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 -0.557 6.520 0.653 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 -1.825 8.657 -2.965 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 11.443 16.497 2.421 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 5.385 0.532 -1.068 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 7.699 -18.939 -20.866 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 -19.391 1.321 30.922 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 0.138 3.732 -4.628 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 -13.831 11.177 -25.111 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 13.278 -4.698 -12.836 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 -0.446 2.319 3.154 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 -6.963 -8.903 12.643 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 7.690 7.400 8.390 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 -3.921 3.985 -8.422 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 7.029 3.828 0.016 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 -13.689 -5.694 0.863 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 -8.316 2.695 -0.693 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 -4.241 -26.772 -9.958 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 21.630 9.448 6.267 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 -10.063 7.999 -2.744 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 -0.778 1.930 12.895 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 18.237 -8.161 35.664 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 -1.964 -4.997 -0.127 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 -8.282 -7.093 -4.096 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 -5.399 2.998 -3.091 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 1.818 -0.477 -3.598 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 -0.710 18.589 -0.729 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 6.628 -17.815 -6.516 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 -7.259 0.806 -2.543 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 -0.473 3.949 -1.974 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 -11.283 18.478 -6.836 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 -2.691 1.995 2.638 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 -3.552 5.711 3.992 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 7.840 4.284 -5.095 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 -2.909 0.089 -1.048 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 12.999 11.519 3.803 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 -2.675 -4.744 19.037 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 -0.008 -3.964 -1.953 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 -25.708 7.466 3.998 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 17.149 -8.086 -10.427 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 -3.277 4.590 -7.079 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 12.267 17.991 3.135 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 -11.497 9.600 4.465 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 0.985 -4.788 1.009 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 12.523 -17.704 22.610 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 1.009 -20.485 13.247 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 1.466 -5.112 4.531 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 -16.092 -25.881 -2.226 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 -20.396 0.140 12.124 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 -1.977 8.164 -1.327 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 18.638 12.359 8.935 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 -3.464 10.079 -3.565 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 0.995 3.319 2.336 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 -30.554 3.136 7.480 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 8.241 11.010 -4.815 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 7.022 4.124 0.809 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 -4.030 -5.035 6.007 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 3.262 -9.906 -2.843 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 -2.157 0.404 -4.619 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 14.468 -16.110 -5.049 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 -1.534 11.810 -3.790 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 -5.412 3.233 3.342 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 -7.930 -4.923 -13.846 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 -5.675 16.827 2.789 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 2.598 0.225 0.093 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 24.081 -4.734 9.873 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 9.359 11.392 -19.752 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 -4.310 -5.870 4.444 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 28.927 3.242 -0.070 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 5.973 6.818 8.180 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 -1.926 -4.177 -4.098 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 18.401 16.214 -9.073 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 -7.274 7.608 12.495 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 -1.829 -0.399 0.560 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 8.986 -4.292 -7.623 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 2.547 11.759 3.945 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 2.651 0.905 -0.644 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 -4.376 5.327 -18.400 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 -1.864 -4.284 -4.999 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 3.434 -3.311 5.670 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 -9.205 -5.139 13.012 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 -17.460 3.184 12.087 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 4.271 -5.022 -2.242 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 -6.717 5.824 7.690 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 34.982 -5.976 -25.699 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 0.644 -1.027 3.806 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 -19.293 2.929 -6.858 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 4.265 -1.589 3.705 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 -1.950 -9.374 2.089 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 -8.806 -0.363 4.152 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 -7.123 -5.374 -9.378 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 6.503 2.405 -7.952 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 -7.006 -6.633 -7.599 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 -21.314 -14.145 -9.915 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 4.595 -0.519 -2.342 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 -1.482 6.179 -7.675 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 -0.951 -12.510 -1.676 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 1.575 -2.077 3.200 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 1.385 11.297 3.486 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 12.889 -3.879 7.922 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 1.086 0.398 0.683 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 4.861 -1.061 2.798 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 -4.656 8.766 -6.633 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 -0.550 -0.044 -2.046 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 -8.568 -0.761 1.709 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 13.254 36.304 2.014 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 2.724 2.994 0.692 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 1.709 7.025 2.064 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 -21.552 5.120 -22.455 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 1.448 -3.170 -2.255 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 33.743 -2.020 -1.717 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 -14.072 21.128 -12.398 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 8.440 -3.051 2.512 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 -0.670 -3.468 -1.582 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 23.834 -1.048 9.415 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 0.440 2.169 5.191 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 -17.348 7.619 5.474 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 9.816 8.167 13.794 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 -5.652 1.229 3.157 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 -4.404 -0.202 -7.482 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 -1.643 22.384 -18.393 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 7.522 3.083 -3.273 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 20.948 2.051 -21.588 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 12.240 18.108 -21.690 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 -2.212 1.824 2.207 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 -5.433 11.210 -7.844 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 -11.720 -12.504 3.419 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 -4.926 2.144 -5.933 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 -4.265 -0.234 -6.249 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 -5.309 0.243 2.463 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 -0.179 1.375 -6.575 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 -11.268 -3.955 1.793 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 -0.019 1.592 1.520 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 3.921 1.918 -1.266 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 -1.890 -9.531 12.763 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 8.051 1.843 -4.408 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 -4.829 0.068 0.152 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 -16.143 -22.488 12.691 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 4.950 22.820 -15.181 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 1.130 -0.283 -0.657 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 1.471 -16.623 10.317 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 -7.688 2.148 1.192 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 2.441 -3.598 0.715 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 -9.385 5.844 -6.549 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 -5.336 -2.030 -3.805 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 -1.450 -4.649 -5.623 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 8.090 -7.202 -13.962 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 -1.728 4.473 -2.121 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 5.652 -1.483 8.283 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 1.343 -15.589 15.677 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 6.354 -6.602 10.503 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 -1.408 -3.712 5.541 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 2.100 -4.066 -5.696 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 -2.650 -5.284 12.777 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 7.707 -2.780 -2.068 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 -11.797 -4.237 -17.123 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 10.853 -9.548 -4.344 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 -0.403 -3.701 -0.996 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 -13.470 -8.989 7.457 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 -4.461 -28.598 -5.559 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 0.966 5.540 -0.011 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 -22.861 -14.316 20.792 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 -6.641 9.765 16.987 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 -4.189 -1.147 2.386 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 -7.556 11.448 -2.839 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 -15.072 -10.778 12.281 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 -2.553 -1.589 0.952 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 -5.614 1.190 -21.770 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 -0.806 12.581 -15.574 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 -3.188 0.490 -0.904 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 -8.394 21.144 -7.544 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 -5.777 -4.904 1.318 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 -2.166 -0.039 6.734 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 -17.709 -11.137 22.652 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 17.104 14.474 -10.002 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 4.238 3.002 -1.266 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 2.259 6.494 8.209 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 -17.547 -17.069 10.745 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 -0.305 2.016 4.197 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 -4.114 10.145 -14.900 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 6.792 18.295 16.013 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 -3.909 -5.572 -3.717 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 -9.121 3.750 -0.723 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 -0.561 -7.401 11.208 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 0.025 1.421 -2.155 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 18.029 -8.205 -27.119 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 6.897 -24.640 14.190 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 -1.442 1.818 4.845 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 12.642 12.270 -10.514 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 -3.589 2.535 10.607 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 3.796 -3.723 4.903 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 -5.504 -2.932 -0.675 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 2.890 3.577 11.240 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 -2.042 -2.443 -1.872 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 -7.207 -0.063 -1.911 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 -0.448 -2.834 -7.643 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 6.032 10.114 4.592 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 19.997 -4.667 7.807 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 -12.386 0.555 8.750 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 6.731 -0.166 -1.809 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 6.669 -6.395 -4.298 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 -3.913 7.692 7.645 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 1.587 0.256 3.994 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 -5.208 -7.848 8.764 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 -0.920 5.606 12.368 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 4.667 -0.524 3.787 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 -5.882 -2.990 -2.456 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 -8.467 -2.531 -14.969 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 -3.657 -3.707 -0.338 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 8.872 -3.633 -1.324 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 7.796 17.505 -12.071 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 -3.653 3.761 1.738 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 -2.277 -4.464 8.058 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 -7.770 2.087 -1.061 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 3.167 4.845 -4.750 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 5.889 5.810 -6.232 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 12.669 -5.647 -13.096 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 3.975 -5.987 -6.029 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 2.510 -0.903 6.197 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 -1.798 2.472 -19.955 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 -0.824 0.677 4.799 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 -16.949 -37.837 6.010 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 -10.257 5.193 6.022 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 -4.013 4.104 -4.514 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 -16.593 9.394 14.584 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 -5.330 8.814 28.444 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 1.298 -2.880 0.307 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 1.094 3.066 -0.143 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 1.999 -3.124 5.320 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 2.525 0.384 9.009 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 -9.124 -20.565 6.451 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 -17.861 17.369 5.227 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 -1.842 2.808 -1.110 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 -12.367 -5.616 -12.004 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 -5.257 3.752 -1.280 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 -1.551 4.961 -6.387 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 9.606 18.355 -0.796 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 6.434 -13.150 -12.210 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 1.177 -2.166 -7.657 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 7.372 4.029 -20.838 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 0.195 -6.784 -0.398 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 -0.251 2.306 -1.874 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 -3.122 6.812 3.455 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 -10.933 15.179 10.696 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 7.507 -1.055 1.748 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 -1.509 6.528 -4.266 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 16.572 -19.143 -16.845 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 -1.554 5.712 -1.548 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 -1.317 -24.050 -10.618 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 -2.048 22.725 4.986 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 -3.350 5.533 -0.675 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 -7.386 3.143 -2.122 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 3.521 -7.649 -4.136 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 -1.892 -2.084 2.414 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 14.269 8.092 3.333 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 -22.506 -0.391 1.097 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 4.451 -4.821 0.111 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 3.300 -1.101 6.831 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 1.267 -21.066 -32.425 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 -2.718 0.677 0.193 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 -1.568 0.303 -3.346 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 -19.608 8.373 8.189 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 8.811 -3.501 2.728 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 14.371 -13.963 15.669 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 12.124 -6.080 7.497 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 -0.437 -0.578 3.988 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 9.142 0.543 0.681 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 -25.760 -4.776 -14.438 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 4.753 4.310 3.711 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 1.012 18.201 -14.365 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 20.701 0.621 -2.257 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 -0.248 7.385 2.384 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 4.409 26.148 21.102 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 15.345 -0.697 5.529 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 0.004 -5.756 7.339 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 -13.442 -27.378 -3.290 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 -21.403 13.836 13.642 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 -2.699 -0.641 1.244 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 -0.398 0.233 2.691 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 -6.411 -6.362 0.214 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 -4.268 -3.452 -4.548 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 -3.870 -13.398 20.282 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 2.202 19.970 -20.666 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 -0.267 1.602 -0.047 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 -4.541 -19.407 -11.649 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 6.043 3.434 3.806 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 4.664 -6.679 4.981 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 15.019 -0.064 3.353 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 7.115 -15.653 12.589 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 -1.387 -1.487 -2.406 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 -12.210 5.219 -10.509 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 12.316 -9.975 1.505 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 0.217 1.134 -1.839 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 11.943 8.752 10.281 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 8.912 2.719 9.705 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 5.584 -0.365 3.987 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 -1.954 -4.618 10.736 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 2.346 0.834 -3.835 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 -8.344 -2.888 2.342 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 -1.470 0.583 3.490 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 -7.943 -8.931 7.016 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 6.132 2.252 0.544 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 -7.486 6.884 16.186 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 16.579 8.725 11.498 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 -0.439 -7.096 -4.688 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 -0.700 -8.941 -15.193 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 -16.793 -18.660 4.642 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 0.148 1.648 0.423 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 -4.470 -5.794 -11.377 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 -3.099 -6.950 -11.415 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 0.171 -0.659 -5.991 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 -0.218 -0.392 -5.714 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 -35.604 -11.590 -10.133 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 -6.159 2.235 -2.352 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 -13.195 -0.072 -18.979 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 -6.106 0.454 3.438 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 3.267 -8.487 -0.260 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 10.547 -2.206 -17.228 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 8.715 -15.265 -6.386 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 5.392 -8.565 -2.185 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 2.295 -6.543 -7.868 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 -18.041 24.584 -10.751 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 -4.858 -0.986 10.146 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 -5.303 -32.920 28.331 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 -0.804 27.759 2.854 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 0.357 -3.857 -6.094 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 -1.747 -4.395 -9.234 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 13.673 -11.904 3.664 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 0.579 1.860 -1.966 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 0.005 -13.186 -1.744 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 1.454 -8.130 -2.884 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 2.002 8.492 4.026 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 -10.246 -2.083 8.377 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 -1.465 -1.994 10.737 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 -2.832 2.278 5.717 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 -7.591 -10.288 7.617 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 -4.461 -16.888 4.935 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 0.772 -1.806 2.692 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 -7.708 11.090 3.880 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 -0.731 -7.438 13.924 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 3.498 -2.883 -2.327 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 1.929 17.149 -3.130 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 -5.453 -4.759 -10.587 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 2.486 -1.899 -4.773 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 -3.559 -17.028 -35.868 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 9.202 10.167 6.862 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 -1.033 -1.348 -1.916 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 2.618 -12.373 -2.532 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 -2.175 11.538 1.202 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 -2.753 -4.686 0.714 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 -7.180 -19.607 5.582 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 -5.991 -14.567 4.677 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 1.826 -3.784 -7.771 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 -21.925 5.556 2.740 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 0.068 -2.013 -2.621 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 3.184 3.768 -2.718 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 3.067 6.365 0.836 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 0.197 7.709 5.644 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 -0.810 -2.710 -0.980 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 -5.104 -5.303 9.447 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 9.489 -16.296 -0.323 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 -5.700 0.780 5.252 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 -7.487 12.014 1.345 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 -17.244 -0.279 10.924 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 -2.529 2.846 -5.379 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 10.667 11.657 -23.186 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 -23.076 -1.932 -35.270 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 -1.917 3.834 -2.206 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 -3.780 -0.076 -16.955 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 5.553 11.079 27.836 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 -1.807 -3.835 -0.528 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 29.659 -4.382 12.897 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 -33.743 -3.048 -13.721 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 0.117 1.883 -5.711 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 3.896 13.033 -11.542 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 -21.757 3.649 -7.448 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 7.662 8.954 2.972 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 0.811 6.830 -0.273 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 10.892 10.874 13.671 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 -1.108 6.418 8.102 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 -2.376 8.301 7.410 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 -5.693 -9.361 0.197 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 0.274 0.457 9.881 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 5.671 3.543 6.086 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 0.617 1.524 2.557 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 5.396 -2.426 2.342 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 0.771 24.147 17.513 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 3.249 3.593 1.791 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 -1.371 -8.318 -2.455 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 -14.863 7.051 2.603 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 -14.867 -23.902 7.838 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 -0.223 -11.132 -0.054 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 1.871 -7.694 -4.164 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 3.197 -5.264 -2.236 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 -2.758 3.116 -0.005 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 -6.380 -8.827 -19.344 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 23.979 6.871 -21.762 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 1.441 0.535 4.446 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 23.835 -2.083 6.971 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 -34.236 -7.447 -6.827 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 5.624 2.056 0.260 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 5.153 4.292 -16.108 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 14.529 -6.903 4.067 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 6.866 1.002 -3.327 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 7.481 -5.511 -1.442 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 5.301 -18.723 -15.851 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 1.069 4.469 -2.734 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 9.739 13.535 -6.055 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 8.497 -8.203 -3.119 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 0.570 0.291 -0.214 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 3.609 -4.059 -3.993 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 -6.723 -5.293 -6.604 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 -5.852 -0.024 1.695 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 3.136 0.831 0.600 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 -5.608 -0.284 1.281 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 -2.302 -3.384 -0.690 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 -15.394 -4.170 -4.975 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 12.578 -0.287 23.407 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 7.404 -1.327 0.542 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 0.366 -17.392 0.340 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 22.260 0.321 2.167 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 5.910 3.189 0.090 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 -25.706 1.236 3.054 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 -2.897 0.841 -5.519 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 4.954 -4.889 -0.902 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 18.358 -2.738 -3.034 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 47.757 12.810 18.495 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 -2.980 -4.373 2.434 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 -0.465 -0.588 4.853 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 -15.524 -0.682 -1.438 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 -8.206 -5.866 -0.331 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 -1.852 -24.387 -35.942 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 -6.395 3.736 13.231 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 -0.661 5.984 0.507 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 7.254 0.264 -4.100 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 13.459 2.180 2.270 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 2.952 -3.788 3.708 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 0.643 6.820 3.358 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 16.889 4.165 -10.926 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 -3.565 -4.109 -0.098 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 -1.995 -7.806 8.144 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 -3.339 -0.689 0.595 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 0.891 -3.093 1.218 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 -0.554 -11.210 -3.817 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 -25.303 -11.899 12.544 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 2.851 2.598 4.068 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 7.990 -2.843 10.123 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 -15.949 -9.117 -11.674 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 -2.822 2.738 0.089 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 1.815 23.560 -13.958 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 5.403 -7.045 -8.945 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 1.193 1.216 3.941 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 0.925 7.998 0.100 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 -8.688 22.421 23.071 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 -0.695 7.256 -4.507 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 1.655 6.747 -18.317 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 6.206 5.817 -43.254 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 -1.226 -5.443 2.157 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 8.216 -11.323 -6.726 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 -9.418 -5.285 11.134 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 0.932 5.658 -0.813 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 2.524 5.928 1.581 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 -1.254 6.955 0.138 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 -2.318 0.316 0.026 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 -5.111 9.492 -0.258 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 -9.798 -24.079 -4.666 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 2.281 -0.163 -4.558 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 -4.667 -3.409 -8.827 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 -0.205 -5.849 -5.498 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 -1.180 0.826 -1.507 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 -2.122 -16.488 18.755 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 -1.750 19.280 17.486 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 -2.232 5.474 3.596 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 0.810 6.738 -5.054 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 1.151 9.061 1.549 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 -1.729 -9.645 1.736 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 -5.411 5.153 3.958 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 -4.575 -7.867 1.175 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 1.428 -1.756 0.667 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 3.247 6.170 -12.516 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 12.837 -14.604 12.673 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 -6.192 -3.228 3.991 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 -11.575 15.248 11.998 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 -8.496 -17.059 6.614 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 6.438 0.047 5.624 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 -6.856 -9.381 3.819 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 14.621 -2.798 15.117 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 1.700 -0.813 1.567 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 5.992 -7.969 15.603 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 -12.033 -4.446 7.563 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 -0.673 -3.058 -1.543 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 -2.642 2.878 10.804 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 -0.339 -2.010 6.587 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 -0.051 8.522 -1.237 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 7.806 12.606 1.803 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 2.146 -1.438 -6.792 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 -4.632 3.603 0.715 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 -4.705 6.147 2.726 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 -1.560 8.923 3.637 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 1.769 -5.659 3.725 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 10.435 23.295 0.669 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 0.149 19.066 -22.702 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 0.382 2.490 4.520 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 10.807 6.417 -2.245 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 -5.780 -0.556 0.127 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 1.156 -2.402 -4.092 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 1.969 -20.942 -11.268 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 -2.727 -18.757 -9.330 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 -1.739 -3.463 -6.666 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 10.776 2.194 0.488 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 -7.458 16.096 -11.705 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 2.283 -0.158 5.636 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 1.426 0.604 -1.581 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 4.956 -7.900 -7.976 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 1.697 2.309 -0.978 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 -5.037 1.812 14.931 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 -6.821 0.159 11.740 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 1.226 -3.085 -4.052 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 4.043 -5.124 -4.194 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 -0.693 4.575 -5.759 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 -0.728 -5.721 -5.340 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 3.544 1.734 1.321 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 -1.329 -2.910 5.629 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 2.285 2.695 -3.379 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 5.146 1.810 -4.534 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 8.823 3.049 -3.644 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 0.180 2.906 3.405 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 -9.985 -13.756 -0.478 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 -21.525 -16.622 -6.761 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 0.729 -2.621 0.489 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 4.076 0.368 -2.552 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 -5.254 1.275 -13.827 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 -3.644 1.693 -2.268 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 -6.139 7.667 -2.608 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 -12.884 -7.278 -0.835 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 3.241 -0.296 1.186 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 -5.693 1.209 13.636 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 -4.672 10.525 -11.545 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 0.597 0.148 6.028 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 -4.015 10.675 -1.175 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 14.333 1.623 1.066 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 -2.822 -1.551 -0.480 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 -2.962 -0.046 0.200 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 -11.695 -25.254 -5.244 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 -5.407 -1.973 3.006 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 7.486 -26.675 13.594 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 -16.354 -7.083 -24.394 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 -2.185 -3.568 -6.952 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 3.985 18.409 -6.848 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 5.936 -1.861 -5.732 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 7.256 -1.745 -3.187 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 2.712 5.459 -21.414 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 4.372 21.069 -5.508 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 2.693 -0.797 -3.034 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 -0.544 3.143 -3.780 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 -1.300 12.335 3.389 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 -0.102 -2.053 -1.922 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 4.479 -19.234 5.220 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 3.435 15.553 -6.490 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 -2.862 -0.934 -1.674 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 -3.022 0.507 -13.321 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 1.104 -1.613 17.378 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 -0.440 1.953 -4.165 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 -1.074 6.849 -0.568 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 -1.478 5.226 -2.357 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 -4.021 -3.184 -1.461 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 -4.614 -13.336 0.198 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 -10.980 -1.749 -8.846 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 4.813 1.701 5.072 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 -5.748 2.033 5.565 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 -2.720 10.172 13.736 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 -1.220 -5.267 -0.956 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 8.348 0.845 -5.570 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 -2.602 1.658 10.379 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 -5.203 1.147 1.277 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 -5.488 -24.672 5.598 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 -19.554 22.133 19.819 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 -7.011 8.652 -0.687 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 -10.512 8.732 -3.474 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 -6.215 -12.289 13.451 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 4.631 1.284 -0.446 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 -2.341 1.220 -8.759 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 10.744 -10.654 15.614 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 1.705 -4.347 0.582 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 -2.386 -3.312 -0.766 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 16.197 -4.088 1.306 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 2.776 1.674 -0.931 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 1.920 11.285 -3.791 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 9.894 -5.442 -2.362 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 2.548 -6.604 0.090 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 13.719 6.935 7.865 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 -1.130 -14.124 -8.517 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 -5.352 -3.811 -5.734 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 -11.388 -8.136 -5.552 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 -11.048 -27.675 -14.065 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 -3.293 -8.394 -4.384 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 2.548 12.256 -1.541 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 1.838 -1.431 0.687 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 -0.596 -3.815 -1.937 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 -1.090 -23.315 2.030 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 12.293 10.417 8.040 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 1.087 3.484 -2.133 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 1.493 8.403 -4.221 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 -11.876 -14.643 18.989 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 -8.375 1.552 5.884 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 7.133 5.749 12.330 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 0.120 6.098 -2.682 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 6.561 1.451 -1.270 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 -10.112 4.850 -6.294 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 0.433 -3.586 26.367 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 5.166 -4.655 -4.586 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 8.913 -2.459 -2.731 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 -1.708 -4.996 -8.221 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 -4.991 3.948 2.745 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 -8.181 17.232 3.531 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 9.923 2.392 8.535 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 5.013 -0.099 3.272 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 19.657 -1.613 12.643 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 -9.373 -5.289 18.715 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 -1.142 5.230 0.906 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 -3.388 13.417 -4.352 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 1.588 6.705 13.426 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 -5.933 1.236 2.063 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 -3.927 5.948 1.291 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 -7.930 -0.722 5.853 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 2.520 4.249 -5.671 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 19.777 18.861 -23.205 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 -22.264 -11.817 -10.520 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 1.709 -7.782 2.753 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 0.465 16.467 1.378 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 7.949 -7.524 -2.877 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 -2.342 0.360 3.671 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 5.255 -8.299 24.856 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 -16.050 -16.622 -4.876 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 1.395 -0.713 3.756 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 10.809 -13.078 14.815 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 -8.197 -18.111 -16.253 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 2.770 -1.340 4.322 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 -7.334 -5.018 -11.081 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 21.209 -0.817 8.494 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 -0.960 1.505 3.365 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 -3.126 5.349 10.002 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 7.851 -8.375 -13.416 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 6.166 -3.369 3.451 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 33.501 -4.951 5.420 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 1.939 2.795 -7.367 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 -5.242 -5.433 -1.324 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 11.877 6.621 -13.985 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 4.244 -16.208 9.088 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 1.045 0.403 1.915 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 6.470 28.811 -3.272 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 23.713 13.361 -4.540 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 -0.705 -3.103 -8.489 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 17.039 -6.827 -14.733 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 -8.201 -3.447 -25.183 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 8.223 -5.468 -1.702 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 6.243 11.204 -14.036 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 11.331 -10.356 -0.798 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 1.618 -1.129 4.506 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 18.176 7.896 4.480 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 -0.688 -0.965 15.097 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 1.038 5.949 -1.706 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 6.492 -8.104 11.665 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 4.794 -2.999 -1.252 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 -3.191 -3.300 2.522 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 -42.530 -8.376 -12.820 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 -19.424 2.995 -24.285 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 5.969 -0.744 1.074 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 12.262 6.192 13.538 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 3.636 -3.513 -4.575 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 -0.531 -13.537 1.665 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 13.443 -3.112 -21.199 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 -3.802 -16.033 6.445 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 -4.007 -1.687 5.095 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 -4.154 2.253 22.394 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 -6.817 17.331 -0.500 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 -0.983 6.665 -1.926 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 28.177 -0.892 -6.551 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 1.992 6.726 -5.712 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 -3.986 1.891 4.896 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 6.149 -3.922 2.601 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 2.284 -16.808 1.559 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 0.130 3.193 -0.422 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 -8.440 4.802 4.959 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 2.035 3.190 -1.828 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 1.685 -2.215 3.948 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 -8.047 -18.664 -2.313 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 15.617 8.886 -23.854 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 5.951 -3.515 5.050 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 14.816 9.495 -1.708 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 -9.343 0.134 -6.535 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 -0.033 10.058 -0.045 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 8.340 2.253 23.785 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 7.622 4.183 10.298 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 5.301 -2.538 2.582 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 -6.932 32.036 -33.781 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 12.662 -0.724 11.587 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 1.353 -2.605 -3.080 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 15.338 -13.320 31.637 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 31.251 -8.918 -25.361 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 5.987 0.634 -4.702 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 4.707 8.125 -1.672 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 -2.952 -9.115 -8.315 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 -1.255 2.183 2.335 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 9.973 8.163 3.785 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 -23.719 -4.924 1.344 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 0.460 1.463 0.658 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 1.959 -4.572 -1.833 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 0.296 -1.491 0.755 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 -0.296 -7.631 6.541 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 -3.511 -1.962 3.156 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 -12.958 3.317 -2.320 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 -4.610 1.748 1.371 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 -4.284 6.030 7.294 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 -8.919 -5.912 -11.332 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 1.793 3.274 1.995 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 -15.057 4.116 -3.642 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 8.222 -0.730 14.549 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 2.132 -1.557 4.226 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 7.464 -7.436 4.823 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 7.656 14.305 -15.375 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 2.290 3.493 1.187 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 5.510 4.167 8.003 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 27.796 4.652 -8.619 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 -0.062 -1.713 1.909 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 1.405 0.016 5.711 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 -3.593 -5.028 4.899 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 -1.024 3.022 0.229 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 -12.212 -5.619 -4.738 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 7.771 -1.426 9.890 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 -3.989 2.573 -6.993 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 -0.546 -8.439 16.672 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 3.807 27.833 -16.503 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 1.718 -1.471 -5.015 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 1.069 -8.953 -5.705 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 -3.098 -2.267 -0.050 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 2.839 5.559 -0.802 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 -11.800 11.930 -4.087 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 -12.429 1.649 -10.381 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 -0.616 -0.772 1.778 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 7.095 -4.962 1.810 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 9.455 -0.847 2.410 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 6.103 5.413 -1.029 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 10.282 0.723 10.038 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 -1.452 11.984 -17.198 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 -2.324 2.235 0.776 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 8.641 -11.338 8.333 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 -5.006 -11.228 27.745 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 5.080 -0.452 0.442 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 -14.842 -1.245 2.226 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 8.972 17.165 2.834 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 -5.142 3.904 -0.526 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 -4.560 -0.059 -4.448 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 -2.783 -13.630 -16.223 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 -2.059 -1.185 2.799 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 8.559 -17.843 -9.813 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 8.359 -10.237 -7.912 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 -5.042 -2.423 2.162 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 4.731 -3.783 37.199 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 26.086 -3.689 -16.206 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 -4.779 2.933 -0.300 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 -7.411 2.433 -7.926 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 -2.399 3.404 -7.170 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 -4.837 -1.767 -4.981 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 6.092 8.296 4.280 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 -20.594 28.455 -2.105 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 -5.252 2.916 4.946 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 -11.446 4.879 -1.507 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 7.922 -7.441 5.363 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 4.320 3.891 -2.749 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 17.619 -38.667 -10.638 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 6.988 12.494 -27.980 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 6.414 -5.048 4.406 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 8.735 -5.446 -0.390 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 2.964 6.143 3.247 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 -3.147 -4.384 -3.106 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 4.344 -5.642 -15.550 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 -20.332 11.079 16.818 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 0.154 -4.963 5.456 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 -3.028 13.942 13.963 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 17.434 -3.916 -6.044 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 -0.900 6.345 -4.813 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 -8.825 -12.889 14.798 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 -16.851 -0.865 -27.430 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 -2.822 7.498 2.131 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 1.098 -1.078 2.937 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 10.815 4.660 -11.402 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 -1.408 3.448 1.860 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 -6.699 2.827 1.580 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 18.397 3.519 -8.577 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 -5.521 -0.630 -1.974 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 9.531 28.426 -1.591 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 -4.966 14.048 -3.387 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 -0.368 -0.155 1.081 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 -2.497 -13.434 0.160 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 0.752 0.367 -1.390 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 0.299 1.518 1.608 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 20.863 -16.688 -7.847 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 -24.239 -10.108 -4.292 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 2.337 -0.602 4.670 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 -15.595 -1.049 2.423 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 1.405 1.381 -3.999 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 -0.768 -1.046 -3.884 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 15.237 -1.581 -4.583 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 8.548 -0.835 -4.648 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 -5.349 7.515 5.012 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 5.340 15.714 -10.516 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 -11.106 -1.131 -2.021 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 -0.125 -6.020 -0.291 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 4.263 -16.373 -7.919 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 3.567 -9.000 -9.262 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 -1.290 -2.280 -1.261 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 28.077 14.693 -3.661 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 -12.169 -7.143 5.732 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 6.096 11.368 0.042 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 11.474 19.048 -1.863 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 -22.658 -4.115 -6.951 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 3.166 -4.371 0.638 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 -12.988 -11.205 -2.271 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 10.316 3.365 6.050 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 -7.251 6.857 -1.032 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 -13.952 -12.913 13.582 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 -17.499 -3.620 6.844 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 3.211 1.470 3.412 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 12.591 3.027 -0.597 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 -15.454 8.189 -12.064 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 1.660 -0.222 1.720 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 4.154 9.329 -1.536 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 -8.363 -6.425 20.009 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 -0.604 -4.261 3.398 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 14.171 -25.543 16.741 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -17.921 0.199 -1.871 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 -2.423 -2.264 -6.834 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 -0.962 -0.577 2.470 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 -0.350 -15.430 -9.765 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 -0.608 -0.896 4.447 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 2.315 -3.294 6.814 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 16.601 -5.666 -4.920 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 -6.250 2.080 4.802 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 -28.724 30.305 -0.493 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 10.154 -0.598 -18.785 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 -1.369 -7.655 6.930 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 8.941 -11.855 4.087 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 1.274 -5.790 9.693 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 3.777 -1.941 -6.208 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 -0.246 -8.063 -0.179 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 1.210 -5.060 -1.304 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 1.404 0.057 -2.199 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 14.831 5.304 -3.078 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 1.898 -18.911 12.789 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 8.290 -2.351 2.446 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 7.951 4.604 -9.304 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 -5.063 -22.446 8.564 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 2.201 -2.386 1.721 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 -1.321 -3.034 -0.238 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 -6.826 14.843 13.366 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 -7.536 3.346 1.840 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 1.605 -0.651 4.718 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 -1.203 1.790 0.124 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 3.972 -6.037 2.859 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 9.512 -4.363 20.610 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 -3.506 -4.234 6.809 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 3.028 5.224 0.638 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 1.950 4.755 12.886 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 9.822 2.694 21.501 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 2.887 -2.896 0.886 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 5.160 10.768 7.306 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 -6.682 -8.989 8.008 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 1.847 -6.527 -1.159 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 -0.060 0.433 4.017 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 -1.556 -2.712 -2.119 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 4.562 3.846 -4.242 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 15.911 22.304 -24.632 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 4.219 -11.753 6.775 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 -5.192 1.731 -6.014 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 -13.101 -7.553 -11.718 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 10.702 19.172 5.353 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 2.147 1.387 -1.903 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 -17.261 9.402 14.868 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 36.636 8.349 -14.520 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 4.076 -8.633 -4.922 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 4.873 -26.680 -3.306 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 2.914 -4.434 -1.402 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 5.947 9.764 5.015 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 7.808 8.075 -1.378 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 -1.664 5.383 11.141 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 -6.816 -8.237 6.575 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 7.772 7.519 -2.838 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 4.662 -8.892 22.526 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 -1.950 0.232 -0.979 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 -12.410 20.283 21.181 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 12.528 0.151 13.367 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 -3.422 -4.485 -1.723 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 1.502 -8.972 3.648 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 -7.584 -13.711 5.325 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 -3.254 2.856 -1.114 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 -14.284 -6.087 5.251 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 15.593 1.185 -4.875 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 -0.071 0.700 -1.931 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 -20.577 -22.781 0.577 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 -12.227 10.421 4.156 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 -1.051 0.686 -5.488 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 6.403 -1.358 2.352 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 -0.215 0.943 -5.506 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 -3.264 -1.080 4.797 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 -0.707 0.409 14.066 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 -10.762 8.171 -5.457 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 -4.393 -6.570 1.490 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 -11.567 -8.851 -7.451 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 -13.342 -12.880 29.167 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 4.022 -12.749 -0.847 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 11.244 13.802 -7.385 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 -19.195 -14.139 -9.416 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 2.308 4.566 -2.939 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 3.479 17.860 -14.553 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 6.139 24.345 -14.149 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 -0.639 -4.049 -0.145 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 -0.980 -5.661 4.658 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 -6.836 -1.146 -1.067 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 -1.580 -1.490 4.415 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 -7.787 -6.805 8.590 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 0.100 18.595 1.190 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 -3.000 -0.031 7.231 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 5.578 2.268 23.129 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 1.686 11.366 -6.440 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 -2.671 -3.213 1.173 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 -2.025 4.824 14.633 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 -9.846 9.437 17.396 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 0.220 0.925 3.743 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 5.044 1.247 6.502 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 -8.191 -1.479 -4.131 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 -0.999 1.293 0.640 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 -4.876 2.733 0.465 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 3.389 5.959 2.156 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 -4.624 -11.306 -0.082 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 -1.560 -8.071 -8.421 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 -11.312 -4.262 4.304 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 3.986 -1.420 -0.998 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 10.584 6.604 -0.096 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 -6.958 9.337 -0.220 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 6.702 -0.818 -4.595 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 -5.246 -6.125 -0.963 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 -17.375 -11.628 3.000 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 4.618 0.169 -5.291 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 -19.877 -5.744 -7.441 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 11.105 -4.939 6.215 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 2.096 -1.435 -0.697 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 1.339 -0.426 6.584 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 10.241 -6.353 0.424 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 -1.988 -2.600 6.100 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 4.637 -2.694 1.914 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 5.025 14.019 4.661 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 -5.119 -2.601 -0.146 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 -27.661 -2.907 12.224 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 -10.632 -20.013 -13.895 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 0.175 7.267 2.105 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 9.319 -3.606 5.153 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 7.168 13.043 -10.113 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 -1.491 1.817 0.511 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 -12.320 27.680 -0.714 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 1.333 -23.950 -6.254 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 3.254 -4.412 -3.575 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 5.932 -21.205 17.020 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 13.032 -11.561 6.955 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 -2.882 -8.013 -0.293 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 -6.855 -5.621 21.479 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 3.318 -8.026 8.628 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 -3.246 2.901 2.772 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 -19.301 2.157 21.651 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 13.423 16.446 13.289 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 4.904 -0.507 0.481 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 13.965 0.051 -8.457 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 27.664 -4.169 -5.205 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 4.132 2.297 -4.007 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 -4.223 -8.792 -14.680 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 2.008 -4.472 -10.752 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 -0.553 9.468 2.698 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 -13.888 8.793 -9.227 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 -30.225 20.126 -11.097 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 -2.423 -1.105 5.281 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 9.095 0.290 12.617 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 3.038 -8.917 3.952 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 2.584 0.355 2.443 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 8.676 12.923 18.024 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 3.394 13.344 -15.628 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 -4.990 1.963 -3.704 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 -4.147 -12.827 -15.316 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 -3.592 8.208 -8.607 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 9.515 0.495 0.746 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 12.932 0.114 -9.612 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 6.078 1.517 13.408 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 -0.247 2.696 -0.774 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 -0.278 -0.381 -0.935 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 -2.574 -4.691 -5.038 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 -4.521 0.862 -1.168 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 -33.168 10.939 -26.501 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 -0.049 20.641 43.364 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 6.729 -2.356 0.959 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 -27.365 -11.988 -16.693 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 17.525 -1.303 -9.004 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 0.755 1.306 3.583 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 13.228 -9.524 -7.549 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 18.132 -15.237 -16.798 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 -2.586 2.365 2.781 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 11.171 9.752 -21.411 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 -4.300 -6.875 1.324 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 0.746 4.880 -0.701 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 -3.200 10.495 -1.140 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 15.085 -25.730 -4.621 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 -4.224 -10.084 1.166 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 4.861 7.426 -13.837 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 4.794 -1.983 -7.397 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 0.504 3.216 -8.106 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 17.678 21.215 0.263 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 2.419 -3.138 9.729 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 -2.465 4.236 1.860 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 1.481 8.949 -8.254 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 19.827 -1.097 -13.707 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 2.005 -0.893 -3.224 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 -22.560 -7.872 7.451 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 -22.607 -25.837 15.960 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 2.104 -0.923 -1.037 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 -6.825 -8.927 -7.499 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 -5.569 -11.369 -14.980 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 3.145 1.231 -2.700 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 -4.852 -14.807 -7.189 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 -0.407 -3.159 -5.295 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 3.837 6.433 0.064 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 -10.982 -0.603 1.268 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 -17.242 -4.924 0.656 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 -0.253 1.751 -1.277 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 18.655 -2.544 9.114 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 5.183 -3.497 -17.297 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 -5.134 0.519 1.911 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 13.322 1.278 0.559 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 -8.014 -4.777 14.437 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 8.720 -6.501 0.230 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 5.279 -3.739 5.229 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 1.264 5.626 -11.554 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 7.802 3.819 -2.392 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 9.523 5.294 -2.759 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 -3.319 1.115 3.950 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 0.174 1.852 -2.564 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 3.819 5.489 -11.419 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 -13.013 -5.729 23.955 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 -7.982 4.601 0.681 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 2.685 16.703 -16.282 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 3.393 12.287 -16.433 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 5.563 -2.946 3.411 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 -14.824 2.458 -17.146 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 -9.681 -12.589 26.630 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 2.934 4.064 5.854 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 1.863 5.668 3.497 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 2.579 0.441 6.488 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 -4.093 -6.209 -8.105 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 -9.484 3.607 -34.846 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 -2.311 -11.110 9.962 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 3.653 -0.722 -2.156 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 5.893 21.822 -1.016 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 -7.529 8.442 6.608 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 -7.200 0.484 -4.243 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 -15.949 -14.716 -22.698 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 -3.501 -33.573 6.574 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 -3.227 4.028 -3.159 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 -5.058 4.241 -8.891 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 -7.686 6.477 -20.392 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 0.504 4.325 -0.859 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 12.225 -5.260 -2.488 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 -4.268 7.893 -8.841 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 1.590 -1.115 0.068 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 -16.819 -4.886 -6.803 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 -12.735 -4.873 -5.994 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 -1.369 4.668 -0.502 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 11.909 -5.830 9.074 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 4.046 10.177 -1.998 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 -1.590 0.598 8.654 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 2.204 0.907 -0.838 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 -2.724 -8.119 6.624 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 4.589 4.139 5.938 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 2.834 6.624 8.818 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 -12.867 17.187 27.816 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 -0.523 -2.637 4.645 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 -15.787 3.873 -26.175 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 0.484 -5.586 11.046 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 -0.707 2.168 0.795 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 -9.163 5.840 8.705 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 -2.381 -15.251 -1.363 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 8.081 0.695 -1.028 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 -7.111 -2.668 -0.206 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 7.127 3.565 1.953 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 -1.999 -0.522 0.946 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 -33.843 1.275 -9.001 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 -1.149 -2.173 -4.290 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 -4.052 -5.818 -0.617 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 1.757 2.782 -7.852 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 1.945 1.047 10.130 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 -0.169 0.333 -0.324 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 -18.892 10.958 2.220 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 23.815 19.360 -35.431 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 3.533 3.779 1.239 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 -1.765 9.385 6.703 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 12.361 -0.235 -1.148 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 -4.128 -4.895 7.321 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 -21.132 -11.338 -9.185 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 13.896 3.605 -10.938 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 1.802 -0.633 -2.793 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 15.566 -20.106 -21.632 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 6.276 15.129 1.986 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 -3.080 -4.558 -6.108 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 -17.385 11.968 -10.147 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 10.257 3.727 10.241 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 6.844 -4.801 2.608 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 0.550 -2.725 -1.672 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 -0.173 1.579 7.566 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 1.683 -1.047 3.785 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 5.516 -0.810 9.750 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 -15.487 3.103 -11.827 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 -4.944 -0.134 -0.958 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 -9.268 0.708 7.313 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 8.119 -8.896 3.582 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 3.915 -2.654 -1.281 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 -6.704 -0.369 -20.952 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 -6.288 -1.576 -21.209 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 1.161 -0.962 3.216 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 6.411 1.494 -6.590 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 -7.114 -1.981 7.551 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 6.666 0.422 2.022 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 -19.194 -13.107 7.915 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 -39.524 -7.166 6.425 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 -3.991 3.470 -3.382 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 10.920 4.951 19.991 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 -11.733 31.949 14.492 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 -4.936 -1.607 -1.692 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 5.466 -9.449 3.132 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 4.114 -13.096 -3.925 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 2.564 4.353 -2.254 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 6.424 -18.785 6.443 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 2.760 -2.618 -0.045 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 6.345 -3.963 -4.002 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 2.193 -6.959 1.585 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 1.872 -11.770 -8.713 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 0.576 -1.566 -2.578 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 -2.968 -9.616 -15.354 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 23.526 12.250 -9.280 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 1.869 0.574 -3.625 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 -2.413 -7.888 -4.459 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 10.111 15.941 -3.063 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 -1.371 0.563 -1.226 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 -5.589 4.260 -8.881 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 -0.447 -0.957 3.868 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 0.921 -0.838 -1.177 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 3.643 -2.296 -12.675 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 5.178 20.709 14.692 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 1.706 3.154 3.448 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 -2.310 1.526 5.207 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 -1.175 1.630 -20.206 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 1.798 -0.630 -0.860 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 1.025 0.962 -3.969 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 1.085 -4.500 3.833 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 4.193 1.007 -2.386 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 4.056 -2.608 -15.520 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 -3.492 -14.666 6.573 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 -1.564 5.378 -2.685 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 -13.197 4.253 0.271 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 -2.183 -2.522 -12.554 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 2.687 -0.469 -3.882 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 23.436 8.296 0.579 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 0.573 8.296 -12.607 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 -0.909 0.018 -3.153 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 4.937 14.193 6.364 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 -20.556 -11.314 15.223 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 -1.753 4.402 3.734 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 13.403 -7.448 -1.429 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 -13.934 13.737 8.968 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 -6.065 -5.119 0.700 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 16.875 -2.226 -10.126 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 -12.251 16.593 10.493 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 -5.166 2.123 2.833 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 -4.603 -17.125 26.485 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 3.159 -11.135 -18.893 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 0.279 4.522 -1.104 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 -3.200 -8.057 -20.390 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 3.927 -4.671 -4.432 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 -3.587 -0.751 -9.292 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 -4.620 0.916 -19.697 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 -2.181 -13.005 9.818 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 6.782 5.213 0.657 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 19.766 -20.729 7.622 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 1.859 -12.155 22.068 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 -5.736 1.934 -2.574 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 16.081 -1.625 -9.968 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 -12.661 -0.485 -22.009 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 -4.326 -1.319 -2.341 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 -0.761 -3.099 2.289 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 9.367 -3.812 -1.663 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 2.349 -3.757 -4.720 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 -9.306 -13.915 -10.712 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 -1.110 -2.764 33.844 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 -7.031 -0.591 7.604 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 -2.867 -0.263 19.651 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 -16.880 -21.976 10.098 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 3.504 1.635 4.780 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 0.025 4.923 -4.738 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 4.403 -1.968 -3.949 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 3.457 -2.136 -7.344 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 5.610 -1.185 -9.192 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 -21.104 -33.592 3.119 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 3.123 4.778 1.728 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 6.010 15.375 11.163 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 -3.782 -10.416 -9.565 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 5.400 -3.494 -2.796 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 -2.648 15.374 29.181 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 14.783 -26.371 -22.404 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 7.695 5.925 5.845 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 9.711 5.407 3.316 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 12.932 9.792 3.363 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 1.760 4.609 -2.025 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 2.521 7.711 0.097 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 6.477 25.409 -5.806 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 -0.279 -1.484 4.719 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 -2.411 -1.195 6.039 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 -7.495 7.139 -1.206 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 -0.971 -2.196 -7.057 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 -7.257 -5.736 -3.817 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 1.974 -2.330 -7.921 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 -3.553 -3.531 -2.778 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 3.141 -10.864 28.496 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 -21.982 -5.102 18.671 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 3.153 0.886 -1.320 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 0.174 -0.081 -2.306 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 5.444 -0.411 -3.657 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 0.943 -1.583 5.771 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 -2.132 2.796 10.537 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 3.552 -20.300 -11.509 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 -0.675 3.732 0.110 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 10.462 -5.452 -17.326 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 -15.093 0.460 -0.284 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 1.993 -1.578 6.602 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 -2.838 10.845 2.954 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 -10.969 -16.424 15.815 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 -6.115 5.914 2.527 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 -19.199 5.791 12.938 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 -12.744 7.661 -12.200 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 2.506 -7.789 1.423 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 -6.035 6.810 -14.509 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 17.657 -6.583 19.381 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 -4.561 1.346 2.029 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 -13.231 -12.745 -7.075 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 0.392 11.718 6.649 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 7.499 3.246 6.358 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 13.810 -2.126 -12.440 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 -6.398 7.012 4.564 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 -3.031 6.425 1.973 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 -15.694 -1.580 -10.005 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 -0.519 21.617 17.074 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 -3.506 3.697 -0.716 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 2.705 -0.427 42.589 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 -6.769 12.335 1.936 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 0.626 -6.242 5.295 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 5.683 -16.335 -3.735 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 -17.318 -7.949 2.078 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 5.018 8.799 4.587 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 10.441 12.383 -1.859 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 4.094 3.491 -1.493 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 -7.035 -6.199 -0.878 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 2.038 -1.724 8.616 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 7.527 10.196 8.504 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 0.344 2.847 -0.466 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 -1.392 0.312 6.024 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 4.318 -11.525 -6.210 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 1.391 1.823 0.707 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 1.070 2.750 -6.566 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 2.268 1.986 5.832 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 2.255 -2.107 -2.268 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 6.657 10.279 4.061 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 -6.793 5.526 18.132 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 1.551 8.069 3.060 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 17.101 8.192 5.848 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 -1.552 -0.224 9.510 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 -4.984 5.106 -3.880 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 24.130 24.091 10.795 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 -14.507 2.954 -10.919 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 2.759 -0.315 1.517 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 5.806 12.910 9.038 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 -9.696 -6.200 7.698 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 -3.072 -4.384 -1.506 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 3.393 -3.434 -9.300 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 3.121 -1.488 -6.689 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 7.679 -0.781 1.456 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 -17.146 13.010 -18.458 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 4.122 3.184 13.863 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 -3.167 1.487 -5.988 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 -4.815 -19.193 -0.073 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 -0.998 -5.423 -5.689 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 -2.436 3.234 4.341 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 23.202 -11.425 10.340 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 -10.902 7.694 -1.193 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 6.988 -2.268 -1.012 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 -27.248 9.218 20.723 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 4.959 13.313 -4.001 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 2.894 5.229 7.865 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 0.991 -4.215 -14.945 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 -2.472 -1.393 -3.625 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 -10.233 1.283 5.630 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 -2.074 -9.115 6.037 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 -12.983 5.762 5.128 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 3.265 0.556 2.906 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 5.740 6.417 15.539 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 3.525 -0.318 2.331 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 -3.298 5.991 0.962 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 -13.743 16.951 -2.313 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 5.350 11.790 4.381 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 -0.957 1.417 -0.612 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 -5.967 1.817 -12.176 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 8.648 -8.449 11.245 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 6.402 1.222 -4.226 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 8.418 -5.003 -15.270 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 9.197 -10.402 0.221 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 1.663 2.862 0.382 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 26.282 -1.508 -4.109 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 -6.501 17.758 -2.779 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 4.201 0.681 0.003 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 -2.679 21.578 5.580 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 -22.849 -6.326 -18.831 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 2.732 3.993 0.997 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 0.063 3.649 -2.125 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 -0.140 2.853 4.639 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 -0.931 2.275 -2.477 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 -3.050 3.094 5.638 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 5.910 1.769 1.280 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 -5.411 -0.321 -3.439 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 16.347 3.590 2.977 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 -10.161 -10.321 -21.021 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 -6.588 4.969 0.619 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 -6.106 6.011 1.161 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 16.669 -3.766 -2.785 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 -0.485 2.252 3.154 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 24.085 0.448 7.153 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 -5.861 -20.836 -9.216 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 2.989 4.016 3.222 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 4.984 21.380 -2.562 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 10.836 3.258 19.908 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 -4.995 3.187 -2.399 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 -7.872 13.029 -2.103 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 -14.620 -9.260 -3.782 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 -3.417 3.489 0.649 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 -9.430 5.715 2.199 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 -4.068 21.791 3.114 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 6.559 -3.500 -6.005 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 7.108 -17.882 6.860 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 -11.215 8.954 -10.977 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 -1.975 3.149 -1.545 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 -8.764 -20.015 3.405 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 -3.033 -9.597 -4.002 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 0.124 -0.568 -1.839 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 -10.413 -9.305 -0.442 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 17.633 15.160 -4.855 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 2.398 -3.016 -6.793 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 -4.411 -11.466 6.550 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 18.847 -2.015 -21.227 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 -1.770 -0.538 -0.870 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 2.467 -11.330 29.063 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 7.852 -5.245 21.970 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 4.047 0.481 2.875 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 10.356 -9.027 26.852 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 4.712 7.941 -27.054 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 -7.869 6.033 3.643 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 -10.751 6.229 6.201 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 -5.897 5.260 2.004 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 0.146 -1.351 3.087 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 -11.142 23.581 -10.057 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 21.154 -8.191 -16.494 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 5.478 4.619 -3.672 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 9.098 5.007 0.816 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 7.759 -0.795 5.821 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 -4.721 0.552 5.472 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 -3.386 4.115 -14.557 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 -15.551 1.295 13.725 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 1.398 -3.937 9.241 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 16.686 -17.056 -41.260 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 -4.441 1.339 30.078 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 -2.587 0.127 0.427 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 11.784 6.805 5.353 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 -4.131 20.905 10.245 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 2.842 4.769 -3.903 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 -8.812 16.607 -21.564 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 2.034 -17.904 -11.392 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 5.009 -4.123 -0.454 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 -4.470 -14.766 5.678 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 22.296 14.223 -15.862 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 0.404 1.360 -2.302 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 4.574 -9.793 -2.817 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 6.106 4.598 0.909 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 2.900 0.366 -1.773 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 3.448 13.931 -5.590 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 1.475 7.221 14.404 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 -2.127 0.724 -1.492 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 14.485 4.156 3.378 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 4.766 -1.763 -9.314 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 0.926 -1.021 3.051 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 4.524 2.681 -8.741 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 4.665 11.960 -16.194 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 3.069 3.678 3.083 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 3.308 -1.749 3.016 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 4.621 -29.495 -4.762 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 -3.717 -1.411 -8.853 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 -3.094 3.112 11.381 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 2.242 6.443 -18.475 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 8.439 -1.532 -0.648 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 20.010 16.818 -1.259 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 18.369 -12.711 14.689 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 -1.997 -5.416 -2.011 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 0.892 -2.655 11.948 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 -0.257 -24.173 -10.080 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 -4.590 -2.861 5.417 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 -12.289 -8.838 14.232 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 -15.024 0.830 -4.900 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 -0.139 -0.848 4.670 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 12.132 7.967 -1.714 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 1.761 -14.442 4.217 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 1.595 0.098 -0.315 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 -2.013 -4.550 12.889 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 36.085 -0.721 12.098 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 2.897 6.616 -2.028 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 17.180 -11.561 22.765 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 4.333 13.586 -19.286 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 4.032 -2.102 2.950 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 -0.973 12.189 9.277 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 7.687 -3.165 -0.090 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 -3.783 2.152 1.461 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 0.103 0.638 -1.657 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 -1.596 15.505 -11.627 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 5.759 8.508 -5.499 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 -2.764 6.094 5.634 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 10.480 -37.695 -2.485 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 2.736 -2.978 -6.061 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 -7.233 -20.544 2.876 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 11.528 -19.846 18.226 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 4.932 5.327 -6.074 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 -0.195 6.780 7.101 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 3.674 8.155 -9.888 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 -1.170 -2.444 3.797 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 13.980 -10.002 -11.143 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 2.825 24.413 -8.450 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 -8.562 -2.341 4.122 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 5.359 -2.722 -8.501 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 -39.425 -11.345 -20.942 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 -1.924 2.663 1.851 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 -1.150 -1.413 -5.836 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 -4.762 8.479 14.728 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 4.366 -0.211 -6.776 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 2.781 13.119 -6.674 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 -13.249 1.110 -16.125 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 0.378 3.639 -4.078 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 -6.343 9.501 -2.072 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 -0.387 -8.770 -11.599 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 -3.626 -3.970 -2.096 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 -5.354 -19.922 -1.749 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 -1.862 6.200 7.666 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 3.089 -7.038 -0.661 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 15.209 -11.922 -3.603 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 -19.308 -0.551 1.833 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 -7.835 -1.567 0.851 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 2.019 23.124 -12.294 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 16.104 36.267 -10.441 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 0.304 -3.806 3.877 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 23.244 11.221 -3.887 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 7.118 -2.135 -1.114 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 -2.906 1.184 1.054 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 8.746 0.008 -7.882 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 0.171 -4.098 16.789 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 3.036 4.396 -1.981 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 -1.375 4.548 -13.328 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 7.075 2.355 12.691 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 -0.285 0.083 7.391 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 10.578 -3.523 -5.766 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 -5.552 5.686 -1.463 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 -6.989 2.253 -4.549 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 -1.814 11.609 1.330 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 3.257 -7.889 -6.180 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 -1.478 -3.661 -5.744 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 -6.960 11.684 -17.648 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 -15.151 -12.052 -0.299 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 -4.925 -6.936 -1.675 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 16.647 -5.978 7.521 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 -5.081 6.735 -3.621 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 -1.584 -1.817 -2.431 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 -13.017 -0.513 -3.174 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 -24.128 0.924 -7.658 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 2.833 4.587 -0.428 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 2.824 -8.641 -10.414 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 -4.882 15.344 12.726 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 -2.757 -2.336 0.620 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 -13.298 -9.024 -5.857 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 15.161 -9.507 -10.299 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 -3.308 3.678 1.671 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 0.130 4.719 5.884 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 -4.885 -2.396 2.588 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 3.440 -5.582 1.988 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 18.394 -5.542 -11.243 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 -11.892 2.882 -4.602 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 -1.093 3.677 3.173 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 0.140 2.282 2.471 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 14.082 -3.533 -17.804 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 -3.607 0.251 -1.157 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 2.249 -13.965 -1.750 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 -9.442 -0.076 -4.469 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 -2.305 5.338 0.013 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 -4.810 10.370 13.426 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 -3.430 6.765 17.894 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 2.391 -0.061 4.523 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 4.659 32.203 -3.122 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 8.743 24.664 14.034 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 2.155 3.691 -5.285 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 1.511 4.633 -0.325 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 0.609 9.077 -3.355 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 -0.067 -3.548 2.943 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 -15.767 -29.274 -21.476 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 -6.219 3.221 8.235 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 -3.530 -2.832 4.015 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 -3.235 -0.984 1.172 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 -18.453 -15.964 12.445 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 -4.410 5.344 -0.426 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 -7.644 8.667 2.044 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 0.409 5.314 4.242 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 -1.417 4.815 2.437 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 -0.370 3.531 -20.689 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 10.476 4.351 29.029 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 -0.650 4.705 4.956 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 7.546 -7.527 4.597 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 13.905 -15.094 -1.785 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 -9.441 -0.966 4.672 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 1.731 -1.902 5.729 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 -9.122 -11.415 3.343 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 -0.043 6.565 6.651 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 -9.907 -18.213 -4.373 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 26.718 2.503 5.873 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 -1.014 -7.240 -1.473 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 14.574 -6.948 -31.871 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 1.102 -7.104 4.417 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 -4.720 4.350 -3.698 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 -7.043 15.101 -3.697 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 -12.548 20.962 -8.370 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 -6.688 -2.436 -6.123 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 -5.881 -3.879 -8.588 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 -10.485 6.414 11.825 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 -0.700 -6.534 1.639 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 -13.487 -28.348 3.095 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 -12.838 4.972 17.115 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 -1.811 -1.332 5.011 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 -3.126 15.111 0.658 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 0.362 -17.348 9.130 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 4.254 4.386 3.196 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 8.049 16.821 29.041 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 1.579 -2.031 -9.579 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 -0.914 -0.107 5.017 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 7.572 7.111 3.938 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 -15.257 -4.368 15.294 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 -4.601 -1.722 4.264 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 -5.626 14.050 -3.795 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 -7.112 -3.396 -1.452 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 0.426 -3.796 -2.244 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 16.464 -28.998 -11.662 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 5.123 17.751 -14.702 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 -0.412 6.695 -2.500 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 15.527 7.785 -14.407 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 0.866 -3.314 -7.142 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 -2.786 -3.079 1.795 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 -22.429 -8.262 -2.366 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 -0.377 16.953 7.184 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 1.643 -0.221 -8.002 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 -3.392 1.536 -7.785 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 -8.707 2.040 -7.966 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 -4.176 1.613 4.144 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 -4.436 3.737 6.639 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 21.561 -11.530 2.969 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 -1.392 5.397 -3.516 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 -2.105 6.057 -11.428 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 1.811 -16.331 -2.231 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 -3.259 -2.101 -2.885 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 -9.653 -6.473 7.256 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 31.701 11.920 -7.258 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 4.877 -0.531 5.838 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 13.809 -7.575 -3.321 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 2.922 -10.063 21.858 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 -1.192 -1.844 -1.591 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 11.640 1.980 -15.764 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 -9.634 -5.314 5.825 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 -11.788 -2.378 1.603 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 -2.839 -6.284 3.855 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 -9.432 7.140 -6.137 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 1.870 -0.038 2.105 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 12.438 4.320 17.815 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 -6.052 -0.561 3.855 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 3.977 -5.977 -7.400 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 0.992 4.826 6.637 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 9.506 -5.119 -10.292 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 5.062 0.294 4.402 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 -12.474 -5.917 -3.744 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 -10.998 -6.635 -8.416 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 -0.179 2.420 1.101 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 -1.022 6.178 0.515 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 -20.074 -4.393 -18.692 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 4.983 -2.216 0.853 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 -10.659 -5.662 40.151 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 7.900 9.256 -13.588 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 1.398 0.784 -3.279 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 -1.058 -8.639 -3.856 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 7.580 17.236 6.903 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 4.226 1.401 3.135 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -16.834 -6.609 -5.309 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 10.197 17.965 -22.500 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 1.866 -5.069 2.219 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 1.675 -5.600 2.009 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 5.585 -3.045 -5.252 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 -1.608 -0.847 5.429 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 -5.049 -0.644 16.355 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 -0.166 -8.902 12.836 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 0.964 7.478 1.608 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 18.563 -5.035 -4.151 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 23.371 -0.351 -5.027 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 2.028 0.583 12.340 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 -8.839 2.056 13.577 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 3.376 16.022 -4.525 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 0.650 3.827 1.209 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 -3.784 -13.311 -8.818 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 -1.892 16.041 14.040 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 -6.146 1.991 2.638 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 -5.940 -7.874 -7.340 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 -6.130 4.972 -2.458 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 -4.487 -7.479 3.933 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 -7.606 23.392 16.284 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 -4.309 2.388 -0.160 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 2.288 -0.509 1.972 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 8.573 16.646 16.682 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 -23.687 -9.601 11.332 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 3.295 4.382 2.606 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 0.693 11.701 1.028 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 8.148 2.868 -4.552 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 -2.510 2.916 1.580 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 16.700 -1.182 -4.562 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 -15.112 5.771 7.156 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 0.044 -1.457 -0.679 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 2.230 5.499 4.132 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 -5.767 -17.482 -15.632 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 -2.630 -9.320 -2.604 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 3.173 -3.335 1.317 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 -2.528 -3.462 -2.928 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 -4.494 4.846 3.154 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 -13.200 5.246 -11.976 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 -12.428 7.937 -2.445 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 4.246 -6.010 0.733 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 29.391 3.883 -0.029 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 5.348 18.470 -5.001 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 -0.875 -1.750 -6.003 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 -17.361 -12.923 -6.963 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 7.802 2.606 -6.034 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 -0.149 -0.999 -1.259 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 11.613 -6.198 -5.797 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 1.309 19.754 -16.634 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 4.440 5.274 -2.432 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 -1.073 16.749 2.239 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 2.251 -1.270 -5.151 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 3.042 0.050 -1.555 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 -14.827 -15.736 8.664 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 19.597 7.462 1.230 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 6.295 1.952 -5.290 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 1.329 -2.119 -10.431 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 -1.406 0.671 -27.291 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 -7.831 -0.848 -2.411 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 -16.337 5.153 20.029 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 -11.163 -6.829 -18.374 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 -1.030 -8.291 -2.455 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 16.409 -15.677 5.524 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 -10.327 2.095 19.627 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 -2.282 8.140 -4.004 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 -6.625 10.130 -2.160 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 -16.104 -2.156 -19.453 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 5.904 2.100 4.316 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 6.529 13.493 8.965 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 -1.722 14.863 13.402 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 1.695 2.580 7.265 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 -10.560 4.792 -2.837 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 -11.791 -8.668 14.790 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 -3.428 4.161 -8.895 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 -8.143 6.128 -8.708 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 -3.385 2.618 -10.757 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 3.768 7.376 -2.729 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 0.934 2.732 -3.905 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 -9.289 -32.399 2.985 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 2.045 4.299 1.886 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 1.994 -1.301 -1.713 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 5.083 4.297 -0.656 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 -0.879 0.195 -3.277 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 20.877 -18.816 26.709 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 5.018 6.668 -16.689 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 -3.755 -5.280 3.274 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 -6.264 4.278 18.596 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 11.710 0.398 -3.455 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 -5.315 -0.534 -0.271 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 -14.693 4.855 13.469 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 -12.055 -10.036 -23.149 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 -0.929 4.184 4.170 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 0.486 -2.470 4.398 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 5.929 -6.890 -6.397 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 2.714 3.855 -2.131 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 7.455 3.548 -25.205 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 4.949 -1.071 -0.122 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 4.957 -4.301 0.024 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 6.737 1.847 -11.664 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 3.387 1.958 -29.452 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 -4.266 -3.367 -5.605 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 4.656 -6.057 7.000 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 3.617 -28.302 -2.005 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 -4.933 -0.344 -0.188 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 -0.377 -17.219 10.711 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 3.574 19.583 3.232 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 3.061 0.457 -0.119 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 25.310 3.060 -1.350 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 16.603 -13.706 6.378 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 -4.509 -2.105 -8.712 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 -23.083 1.732 24.439 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 -0.073 5.565 15.472 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 4.731 3.869 1.984 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 7.401 0.092 3.038 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 6.781 3.587 5.957 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 -1.901 -2.487 1.974 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 -0.366 -35.220 4.863 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 2.356 -4.192 -8.097 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 3.903 1.237 -0.313 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 2.312 -8.364 -2.650 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 3.206 -2.368 -20.625 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 -7.130 5.707 3.919 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 -2.718 2.935 7.709 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 -1.315 7.108 -6.566 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 1.188 -3.363 -0.853 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 1.663 -12.250 -5.882 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 -9.225 0.374 -1.175 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 -1.116 -1.200 1.270 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 2.574 10.218 -12.001 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 -5.241 9.003 15.591 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 3.136 -2.372 -5.999 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 6.075 -5.347 -8.788 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 -8.545 5.085 -23.014 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 -2.438 1.845 -2.193 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 4.837 -10.470 16.320 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 -24.065 18.562 1.107 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 3.943 2.057 -2.599 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 -0.479 2.754 -5.492 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 8.402 -2.245 5.850 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 -1.628 3.287 -1.123 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 -21.569 25.478 3.618 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 23.735 1.678 -18.085 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 -2.178 8.463 -5.677 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 -10.067 -18.805 -2.043 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 8.215 1.583 -4.036 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 4.437 -7.705 -1.479 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 -1.704 1.064 13.703 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 -4.233 0.354 -9.630 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 2.661 -2.171 0.650 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 -28.678 -25.610 -41.585 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 8.789 -13.833 -2.286 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 1.523 3.109 1.982 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 -32.872 -14.283 -36.825 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 -19.685 7.622 -7.815 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 3.631 3.377 -3.129 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 -6.739 13.992 -3.861 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 -1.920 -16.824 1.358 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 -1.441 1.886 -4.624 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 0.545 17.961 -4.115 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 -5.135 -1.341 -13.960 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 -6.245 2.436 0.831 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 9.103 -5.560 12.949 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 -10.040 -9.951 -4.108 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 -7.570 -8.249 -0.092 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 -3.555 -5.456 -2.826 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 -3.360 -2.658 -3.832 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 -1.643 -5.412 -4.888 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 7.110 10.036 11.239 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 -22.363 3.990 -16.867 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 3.992 -3.143 0.121 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 3.120 -8.349 16.068 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 1.099 -10.966 29.887 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 -4.328 5.110 0.055 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 3.429 20.210 -15.438 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 13.928 1.707 13.601 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 7.030 -10.112 -3.178 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 -0.393 0.354 -11.819 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 37.229 -4.287 -26.099 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 1.790 7.936 -0.201 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 -3.968 9.919 5.913 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 8.218 6.070 -6.495 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 -0.679 -4.500 -3.359 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 -1.336 6.131 -1.806 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 -0.923 -1.583 -7.201 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 -5.984 1.210 0.234 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 -19.954 -7.384 -3.554 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 -7.241 15.772 -7.021 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 3.180 0.897 1.715 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 5.290 -3.450 -5.043 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 -4.521 4.299 -0.109 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 1.160 1.758 3.612 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 8.546 4.047 4.206 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 12.225 11.853 -22.430 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 -0.659 -1.713 -0.954 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 10.249 -2.440 1.548 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 -20.103 1.048 -4.824 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 0.051 -2.251 -0.415 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 12.848 -25.121 -4.384 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 -13.561 -14.089 1.187 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 3.169 4.495 0.724 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 -2.348 23.108 -31.303 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 -8.692 15.035 8.989 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 1.648 -1.189 1.488 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 -3.568 11.690 16.162 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 5.908 -4.466 -1.822 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 8.736 -0.160 0.110 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 4.736 -19.857 7.434 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 1.713 10.832 4.368 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 -4.255 4.695 -2.429 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 1.280 -4.239 -13.924 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 5.381 -34.322 -5.376 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 -4.593 -4.620 4.756 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 -5.452 -9.661 0.976 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 -17.708 7.893 -6.219 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 -1.521 -3.074 2.358 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -2.954 3.124 -9.037 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 -5.617 -2.948 4.595 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 1.491 -5.572 -2.766 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 -0.982 -5.493 -2.611 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 3.473 -7.845 -3.333 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 1.729 -5.297 1.138 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 -17.601 -1.653 -4.757 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 14.593 15.137 -35.940 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 4.541 -2.258 -0.485 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 8.461 -6.578 20.139 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 9.001 1.195 1.515 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 -1.369 11.660 3.518 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 -2.069 1.766 -9.793 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 2.116 2.490 -7.022 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 0.194 2.264 -0.696 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 -19.531 -9.620 0.070 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 17.419 25.890 -6.174 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 2.861 0.349 2.268 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 -3.189 1.722 5.168 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 0.393 -24.619 -1.062 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 -4.047 0.956 3.176 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 6.906 -0.223 5.612 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 3.602 7.064 -10.474 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 1.468 -1.813 3.294 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 -10.146 5.382 35.062 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 22.975 -1.217 -9.335 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 3.609 -4.532 -1.133 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 -9.851 0.577 7.866 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 10.333 10.401 2.525 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 -1.088 -4.899 -1.076 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 15.525 8.882 6.200 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 -13.546 4.952 5.527 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 3.491 -6.855 1.019 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 1.586 -6.724 1.658 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 -1.301 -9.522 10.770 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 1.112 -0.870 2.403 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 -0.601 0.695 -39.242 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 -2.315 37.382 14.006 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 -1.363 4.394 4.593 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 -23.808 -1.169 -12.985 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 12.555 2.331 13.388 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 -1.705 4.123 -4.594 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 -24.629 -14.047 -6.433 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 0.051 -26.530 12.685 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 -1.300 0.929 9.164 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 4.600 9.190 2.932 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 3.421 6.867 22.890 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 -5.867 -3.847 10.955 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 -14.793 -3.637 10.432 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 10.811 17.140 -4.670 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 0.948 5.412 -4.018 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 13.314 -11.338 14.416 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 -5.289 0.452 20.252 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 -1.621 3.701 1.333 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 18.360 9.960 -15.633 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 11.588 -14.261 -7.449 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 3.068 0.713 9.278 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 7.697 -4.959 15.881 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 3.564 7.671 9.436 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 5.646 -0.555 2.394 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 -12.204 15.723 -28.356 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 15.276 8.832 -6.660 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 1.172 -4.623 1.616 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 1.690 -12.090 -11.562 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 14.052 -9.080 6.636 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 2.151 0.584 4.478 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 -1.021 -14.437 -18.757 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 17.747 -2.047 8.955 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 -1.373 -9.389 7.284 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 -17.587 -1.162 2.307 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 11.294 -18.251 7.895 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 -0.413 2.735 5.689 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 -11.419 -5.786 10.354 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 2.213 15.254 -11.214 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 -1.068 2.391 -3.480 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 14.568 -2.667 -10.259 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 0.126 8.360 -9.920 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 -4.836 1.152 0.519 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 6.018 -6.159 -0.617 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 5.786 9.807 -1.210 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 -0.282 3.622 -2.736 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 0.484 -9.487 2.981 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 18.695 7.708 0.775 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 1.167 7.034 3.425 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 7.302 6.618 1.590 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 -0.427 15.895 -8.954 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 -2.137 -0.563 -6.294 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 7.554 -6.288 8.401 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 -14.427 18.939 -23.274 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 4.637 4.975 0.834 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 16.838 -10.778 1.216 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 6.191 -8.147 2.903 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 0.759 -0.052 -13.418 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 5.179 -6.194 -4.898 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 9.150 11.447 -6.614 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 -1.158 3.127 -2.071 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 7.642 -3.245 -13.042 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 0.261 4.625 9.157 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 5.553 -5.764 1.124 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 -4.924 -2.655 9.626 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 1.403 -4.315 -13.612 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 9.262 -6.723 0.157 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 -0.369 11.144 19.820 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 -18.372 0.646 -11.525 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 2.322 8.223 1.611 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 -4.861 19.580 -9.053 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 -6.419 5.502 13.008 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 -2.920 -2.498 3.592 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 7.157 -18.630 -0.325 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 10.108 -1.464 0.430 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 2.925 -5.930 -6.320 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 -2.245 -3.909 -14.333 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 4.772 0.128 -8.994 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 1.810 4.831 2.710 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 -5.069 9.810 14.737 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 -10.412 -1.938 -9.168 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 6.767 1.060 3.516 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 13.805 0.076 4.596 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 0.204 6.662 -1.839 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 -1.234 5.389 3.976 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 -8.910 13.763 -1.492 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 4.311 32.988 0.497 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 -0.196 -5.187 -6.001 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 -0.036 7.217 -8.923 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 3.535 -5.819 -2.926 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 0.600 -1.383 -1.643 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 6.437 -16.171 -17.954 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 1.231 14.593 -7.340 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 6.026 3.878 -5.626 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 23.564 0.110 11.653 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 -15.756 -0.463 9.702 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 4.725 -0.356 -0.840 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 -1.056 14.723 -11.478 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 20.880 5.003 7.122 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 5.055 -0.400 -1.558 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 -6.652 -4.850 9.022 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 16.858 8.317 6.121 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 4.155 1.506 3.834 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 -17.581 -1.369 7.380 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 -17.321 -10.675 0.848 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 -1.527 -1.515 -3.383 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 -2.239 -2.479 9.045 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 11.317 -12.186 -1.777 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 -3.693 3.138 1.095 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 9.271 3.994 0.476 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 -5.618 -8.772 -1.724 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 1.180 2.857 3.367 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -1.754 -0.635 2.986 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 4.052 3.326 -4.937 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 1.080 -0.168 2.039 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 14.659 -5.999 -15.617 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 3.839 15.778 2.503 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 4.664 0.772 -1.295 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 10.599 0.535 -11.230 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 4.229 2.123 14.596 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 5.598 0.110 -3.577 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 -13.658 -12.393 -21.595 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 -5.309 7.975 11.551 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 -8.297 0.552 5.553 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 -4.175 0.503 13.585 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 -5.988 -1.112 11.350 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 -0.627 2.159 5.837 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 3.454 5.907 -10.749 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 -27.153 -13.336 -5.137 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 7.951 2.822 -10.000 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 -3.998 -21.572 0.170 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 27.352 6.286 -22.256 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 -6.195 -1.002 -1.838 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 -7.365 -4.725 10.680 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 -5.391 -9.124 -8.129 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 6.134 -7.048 3.332 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 -3.068 -12.228 10.192 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 1.847 5.806 2.321 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 -1.763 2.510 -3.444 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 -0.413 12.746 11.605 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 -0.766 -38.809 -5.035 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 2.197 -1.304 -7.386 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 12.026 11.128 22.654 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 -14.779 -29.317 -11.110 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 1.314 0.770 3.476 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 17.932 -14.675 -10.053 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 -13.432 13.042 7.450 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 2.759 -9.321 -0.298 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 9.762 -0.728 15.299 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 -11.208 -16.736 -1.340 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 3.313 -1.902 -5.230 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 -4.044 -3.416 1.003 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 5.327 4.483 -12.543 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 2.944 -0.279 -1.423 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 7.494 -3.991 -8.285 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 0.348 -1.692 -6.373 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 4.091 2.705 0.410 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 11.668 3.993 6.563 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 -0.906 13.024 -5.247 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 -5.050 -6.565 4.031 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 3.951 -5.108 3.082 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 14.643 -10.124 20.596 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 -4.262 3.819 3.696 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 -10.498 0.116 -0.412 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 -4.626 2.465 2.440 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 3.029 -0.022 -1.443 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 -1.825 -1.998 -19.122 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 -2.981 -3.813 -16.047 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 6.049 2.568 -1.589 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 14.297 11.561 1.851 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 -9.739 -17.694 -6.714 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 -4.528 -0.555 3.238 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 -7.938 6.535 20.370 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 -5.271 1.980 -2.605 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 10.816 -4.722 3.900 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 8.431 5.905 -11.232 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 17.502 7.141 13.037 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 0.764 2.352 -0.968 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 3.073 -3.225 9.701 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 -2.099 -7.567 -15.272 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 5.235 2.103 4.446 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 9.312 6.719 4.314 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 20.395 -8.020 -5.864 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 1.415 -5.066 0.963 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 -5.869 -5.048 -4.695 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 7.800 2.345 7.151 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 -1.192 7.217 7.188 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 1.297 7.946 -17.232 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 5.963 10.092 -10.303 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 6.244 5.509 1.699 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 -6.202 -7.316 2.136 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 -18.306 4.878 -0.700 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 1.711 -2.523 2.117 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 27.505 -6.514 -2.315 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 -1.485 14.492 -23.631 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 8.431 2.637 -6.323 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 -27.279 13.955 21.385 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 -17.475 0.107 11.524 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 4.664 1.174 3.743 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 12.491 6.438 -0.391 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 -16.237 -9.270 0.221 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 0.748 2.242 9.069 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 -0.569 11.585 -3.809 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 -0.997 -5.157 14.626 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 -4.522 -6.760 -1.205 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 -2.061 13.873 -4.646 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 10.632 -5.957 11.221 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 1.637 3.567 0.030 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 9.144 -7.658 -4.309 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 -2.870 12.906 -5.746 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 -1.643 -1.828 2.746 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 5.286 -2.270 7.641 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 -2.160 -1.997 2.320 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 -0.282 -1.212 0.933 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 -4.619 -5.530 -0.059 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 7.572 -2.653 -3.813 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 -1.114 -5.635 -0.336 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 -12.086 -9.887 5.404 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 7.224 -0.821 1.057 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 -5.836 5.813 -2.101 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 18.439 22.624 9.644 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 -13.261 7.913 8.960 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 0.283 -3.184 -6.398 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 -9.522 -19.408 -3.599 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 3.238 0.565 -5.327 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 -2.048 -1.667 -6.527 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 -10.344 -20.881 -6.137 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 17.546 3.200 23.773 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 -1.757 -2.741 -2.834 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 -16.485 1.972 -6.523 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -3.760 11.783 0.942 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 -2.283 -0.703 4.966 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 20.173 3.532 1.435 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 -19.704 -4.229 29.777 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 0.366 2.954 -0.684 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 -10.673 1.341 4.429 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 -10.029 -12.079 -0.002 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 -1.064 -1.128 -1.633 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 -5.970 26.007 0.644 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 -0.895 8.676 -4.108 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 0.951 6.967 1.048 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 -22.428 4.734 -23.946 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 3.647 12.261 -13.835 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 5.147 1.781 -0.406 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 -1.986 17.542 -19.061 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 -3.211 5.431 -4.015 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 -4.682 -1.782 5.025 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 -2.303 -6.214 -6.095 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 -15.060 -4.060 5.158 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 -2.044 2.094 3.520 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 9.472 6.583 3.094 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 -0.592 27.064 -31.257 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 5.042 -0.504 -2.579 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 6.370 2.780 0.430 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 3.779 -6.244 -1.809 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 0.518 -1.024 -0.289 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 1.560 6.020 -1.545 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 -2.567 -5.932 -9.714 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 2.089 1.676 3.547 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 -1.491 1.969 2.792 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 10.406 -3.733 -2.074 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 3.932 4.156 6.009 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 29.986 -2.365 12.743 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 7.609 8.521 14.205 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 -0.548 -0.546 1.831 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 18.454 -18.089 -18.022 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 23.701 -14.625 -6.177 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 1.663 -3.114 4.587 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 21.869 10.726 0.779 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 -8.249 15.798 0.143 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 0.539 -3.874 2.483 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 26.089 5.847 -6.799 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 -18.289 -7.596 19.004 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 -3.392 -4.522 11.014 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 21.487 -8.196 6.912 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 -1.242 17.913 -2.606 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 -3.601 0.461 2.609 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 -10.568 2.789 -14.319 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 -7.991 -15.970 5.323 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 3.010 1.470 4.416 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 -5.118 -9.289 -10.670 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 -11.181 -2.668 17.430 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 -3.334 1.370 -0.193 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 18.433 -27.626 6.097 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 4.692 9.271 -0.355 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 -0.738 -8.434 4.382 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 -9.064 -22.821 23.505 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 2.832 -7.523 -2.396 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 -2.414 0.769 -0.770 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 1.289 3.652 2.316 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 -6.311 -8.667 -10.298 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 -3.500 4.624 0.641 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 10.742 9.445 14.298 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 -7.252 2.279 0.537 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 -3.606 1.970 12.076 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 -6.689 24.691 4.746 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 7.433 -1.855 -4.473 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 2.303 -2.640 3.898 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 -5.582 22.332 1.754 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 8.540 1.920 30.198 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 5.182 2.977 4.278 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 -7.464 27.505 14.620 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 2.190 16.117 0.801 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 -2.761 8.925 3.794 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 -8.248 0.883 3.586 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 -3.880 12.963 2.886 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 -3.365 -2.535 4.422 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 7.712 3.794 6.211 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 -3.726 3.642 3.654 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 0.345 1.653 -3.204 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 -1.374 16.064 -14.919 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 -16.001 1.915 -8.136 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 3.368 1.991 1.572 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 17.786 -2.218 -13.951 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 13.970 -3.864 1.930 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 -1.132 -0.705 4.844 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 -6.146 -18.791 7.714 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 -20.818 27.930 -6.184 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 -6.454 8.852 -2.724 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 -4.232 -4.308 10.545 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 -5.472 15.389 -2.085 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 1.451 5.066 -0.319 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 -7.340 1.513 5.582 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 -7.073 -18.456 17.768 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 1.137 -0.679 -1.614 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 17.904 11.005 16.398 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 -5.492 -7.314 -10.998 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 -4.805 3.438 -1.583 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 -24.076 -15.685 -11.183 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 18.582 26.352 8.454 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 -5.944 4.447 -3.890 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 -18.628 8.312 -12.146 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 18.648 9.712 4.522 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 1.544 -3.293 -3.423 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 -23.333 21.565 16.532 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 13.658 -19.558 4.473 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 0.700 -0.540 4.190 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 4.803 -5.409 14.803 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 -7.342 -2.578 6.396 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 3.596 1.158 0.036 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 -5.761 -17.199 -9.312 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 0.719 1.107 6.075 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 -3.145 -4.916 0.598 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 -1.411 -20.514 -13.951 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 23.935 8.972 15.720 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 -0.286 5.960 2.218 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 2.468 5.392 10.987 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 -5.646 -0.144 0.995 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 1.252 0.744 6.243 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 4.432 2.366 -5.404 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 1.938 3.607 4.872 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 -4.666 -3.936 1.731 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 20.764 10.107 -2.584 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 4.042 -1.290 -0.761 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 -5.548 3.753 1.387 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 -7.172 3.182 -11.128 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 -1.956 -4.468 1.439 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 1.646 4.803 1.700 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 4.287 -12.575 -4.271 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 12.452 0.805 20.471 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 -0.026 -4.518 2.675 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 9.880 2.370 -7.538 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 10.138 4.426 1.163 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 1.691 -3.184 -0.169 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 -1.839 -0.997 4.687 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 -1.187 -3.706 -2.064 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 5.146 8.309 6.515 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 12.826 7.853 0.258 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 3.748 2.991 5.949 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 -0.629 -5.082 1.226 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 4.737 -0.535 12.072 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 -6.308 -16.467 -0.310 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 2.889 -1.577 2.302 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 10.150 7.716 -9.014 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 -0.846 3.675 8.052 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 2.688 3.198 -3.265 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 17.355 13.354 -1.824 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 -1.166 -2.581 1.129 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 -4.714 -2.460 2.199 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 3.425 -10.940 6.863 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 -10.291 -8.744 -10.728 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 -0.713 -3.868 -3.001 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 6.795 6.433 11.953 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 5.364 9.734 8.122 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 4.386 2.701 -1.810 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 6.544 8.526 3.340 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 0.211 0.877 2.608 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 1.794 1.184 3.943 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 11.582 7.301 1.543 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 12.293 3.979 9.952 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 1.203 2.904 1.622 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 -8.940 -5.378 -7.420 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 9.480 11.046 8.970 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 3.197 -0.629 0.590 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 13.062 -2.962 -12.001 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 -10.915 4.009 13.337 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 -4.109 2.627 5.898 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 -13.635 -19.625 9.124 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 -4.002 4.294 -0.634 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 5.683 6.385 5.039 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 13.751 -2.646 2.215 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 10.020 6.028 14.128 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 6.002 -0.226 -4.706 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 -6.687 -9.810 -6.325 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 4.307 4.566 10.797 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 0.414 -4.513 -4.765 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 1.895 9.704 -3.333 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 4.428 -13.832 12.621 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 0.553 4.359 1.475 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 1.325 20.114 -23.906 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 -2.038 5.914 4.893 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 -0.233 -0.624 2.720 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 -3.661 -11.262 0.930 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 3.926 1.756 -22.143 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 3.818 0.681 -6.579 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 3.115 -14.207 2.370 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 0.539 1.571 -8.823 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 3.582 -1.473 -4.275 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 -12.416 7.850 -4.215 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 -3.738 -1.836 -6.408 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 -5.591 -2.306 -0.887 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 -8.271 -1.550 -1.637 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 -3.283 -2.075 -3.229 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 -1.486 -1.137 -5.139 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 -0.947 4.008 -9.831 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 -1.563 -5.748 -1.215 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 7.206 -1.708 -0.735 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 4.046 -3.268 1.738 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 -10.006 6.344 16.788 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 -2.397 -1.406 7.228 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 -5.618 4.679 8.800 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 -8.202 9.313 9.519 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 0.684 5.475 3.142 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 4.688 28.070 -25.245 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 10.542 -4.845 14.139 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 -0.487 3.034 -1.442 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 11.437 9.462 -1.723 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 -17.011 0.303 -0.033 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 -5.481 0.578 -0.789 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 -2.706 1.643 -0.376 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 -7.349 -0.035 -0.734 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 0.709 5.613 -1.323 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 5.750 16.161 -1.184 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 -5.964 3.573 8.001 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 -7.076 -5.113 3.502 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 -1.591 3.228 -36.194 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 7.131 20.282 20.194 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 -3.095 -0.053 -0.956 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 6.497 -26.304 -11.923 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 -26.818 27.359 7.064 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 1.760 -1.865 -1.461 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 -2.550 4.139 -2.495 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 3.748 -4.791 -8.368 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 -0.652 -1.508 4.538 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 16.446 -10.360 2.173 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 -6.895 6.699 26.765 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 0.843 -3.512 1.352 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 -10.782 1.846 2.545 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 -2.153 14.489 17.066 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 -3.202 3.551 0.833 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 -3.533 -11.065 -13.619 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 -23.005 8.212 2.940 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 6.289 0.386 0.124 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 18.336 11.148 6.457 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 13.172 5.755 -16.835 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 -1.751 4.829 -3.632 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 0.570 1.470 0.344 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 -5.782 1.848 -4.962 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 0.668 5.509 -6.269 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 -0.421 19.147 -9.333 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 42.643 16.622 10.748 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 -3.604 1.582 4.933 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 0.498 4.554 0.657 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 -0.543 3.390 7.062 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 -1.201 -2.134 0.683 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 -9.301 2.706 2.657 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 -1.821 1.189 5.608 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 -2.590 0.257 -2.278 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 -11.324 -20.864 -29.446 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 -4.885 5.004 -1.271 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 -1.695 3.760 0.538 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 -4.694 -0.486 4.420 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 1.672 7.594 -2.676 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 -2.889 -2.392 -2.686 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 2.451 9.701 -10.092 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 11.286 -17.461 -25.084 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 4.214 2.340 1.571 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 -10.977 -10.516 -10.203 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 -13.803 -14.648 3.157 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 0.600 -3.785 0.206 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 2.039 1.041 2.336 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 -4.218 -9.897 -4.568 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 -2.675 3.562 -5.157 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 -6.322 -14.804 -22.283 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 25.127 9.546 11.021 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 1.275 4.710 -2.068 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 2.920 -2.105 -1.935 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 3.128 0.334 -2.213 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 -4.687 -2.373 -2.079 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 -8.551 13.188 -11.644 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 0.894 2.995 -18.998 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 -4.384 5.045 0.869 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 6.520 -2.000 -9.358 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 -0.087 -2.416 -5.824 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 1.829 0.768 1.498 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 -11.592 -26.905 -6.294 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 27.820 1.422 24.582 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 2.525 -1.538 -0.845 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 -8.432 11.274 9.287 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 -6.690 -3.211 -0.972 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 -3.281 -2.213 -2.760 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 -4.094 8.400 6.718 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 -7.856 0.178 -2.035 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 0.834 5.415 -0.335 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 -3.534 5.370 5.774 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 -6.579 2.557 -8.541 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 -3.603 -2.480 -6.632 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 -6.148 1.678 -5.563 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 13.889 18.228 6.796 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 4.515 2.496 -0.034 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 -5.584 -3.977 -2.922 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 10.196 12.352 -1.308 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 4.537 -6.427 -0.746 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 39.370 24.562 -16.614 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 10.008 11.983 8.919 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 1.640 -3.594 -2.816 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 -3.230 31.219 10.867 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 16.890 -1.980 -2.467 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 -1.656 -4.117 -7.654 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 -4.579 5.617 -18.300 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 2.483 -12.225 -17.661 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 -8.886 0.429 1.487 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 -3.854 -0.944 13.850 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 -15.396 5.799 12.341 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 2.991 1.661 0.832 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 1.502 7.554 2.969 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 -3.025 -0.306 1.808 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 6.589 -2.821 -0.688 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 6.954 -10.550 2.963 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 -2.686 5.596 -1.136 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 -1.499 -0.959 -0.361 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 -23.159 -24.574 2.282 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 -4.730 -24.074 -3.296 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 -9.280 -6.122 2.738 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 -12.068 -18.415 -0.986 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 -5.126 4.262 4.196 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 -4.721 -1.855 9.392 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 10.096 -4.763 10.750 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 -7.507 -7.232 1.813 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 0.970 -0.216 0.184 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 5.377 8.532 16.514 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 -17.943 30.122 19.600 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 -5.036 1.021 1.593 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 -5.135 -3.962 3.506 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 -7.238 21.935 -8.582 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 -3.106 1.500 -0.333 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 -16.271 13.263 15.042 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 -4.651 3.530 -33.157 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 -1.912 -1.767 3.424 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 14.186 -10.783 3.473 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 -19.107 21.831 0.155 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 1.655 -1.990 -0.025 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 -21.248 -9.582 17.336 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 -14.873 -6.769 11.798 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 8.011 -4.221 -3.201 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 1.743 3.166 1.233 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 -60.910 -20.594 -8.903 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 -3.489 5.495 -2.106 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 11.347 23.938 9.148 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 -22.883 -6.129 -16.019 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 1.377 1.093 -2.480 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 -17.741 0.653 -4.775 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 -2.327 -8.864 18.569 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 -5.360 -3.565 -0.165 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 -16.083 -5.926 -6.617 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 -13.907 12.439 4.861 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 1.070 0.577 -3.063 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 5.905 -7.885 -7.183 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 18.093 -10.988 -9.434 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 -1.350 2.833 5.600 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 9.115 0.336 36.960 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 -7.853 -11.604 1.353 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 1.890 4.009 2.533 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 2.818 11.865 3.470 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 1.142 3.271 5.010 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 6.182 -2.698 -1.084 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 11.790 -2.342 -14.438 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 3.218 5.424 -10.715 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 -1.540 3.875 -0.416 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 0.397 18.513 0.797 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 3.563 6.418 -2.924 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 -1.993 6.126 -0.002 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 -0.409 -1.632 2.008 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 0.224 3.611 -4.891 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 3.304 -1.310 -0.955 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 4.426 -18.316 6.234 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 -5.607 -3.326 -10.308 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 1.410 1.793 5.533 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 -4.081 11.070 3.529 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 5.530 -10.203 5.923 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 -0.569 0.427 4.018 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 7.235 3.198 -2.676 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 -4.518 1.632 7.997 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 -5.208 -7.741 -1.992 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 6.793 0.809 8.384 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 5.796 3.098 -1.585 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 -1.172 -1.052 -1.042 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 -2.250 -19.900 21.593 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 14.540 -6.097 -20.079 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 -1.580 -3.568 -1.335 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 -25.693 -3.022 9.120 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 3.569 0.841 -8.963 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 -6.290 -1.807 -0.003 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 -6.893 -4.414 6.756 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 -35.307 -9.338 -9.511 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 4.782 -0.951 -3.351 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 -6.173 -3.698 1.710 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 14.450 -14.181 -0.191 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 -3.247 7.508 0.143 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 15.954 -6.382 -11.840 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 11.550 -2.373 -8.116 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 3.775 -3.854 -0.955 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 -7.218 3.005 10.820 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 4.608 -1.919 6.395 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 1.915 7.275 1.440 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 -5.023 12.250 -15.991 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 -6.147 36.242 12.231 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 -3.277 -1.964 0.079 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 -0.415 -9.835 -19.070 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 -8.884 1.167 -17.810 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 1.838 -0.796 -5.528 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 1.346 21.037 -15.762 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 -11.202 -0.076 15.823 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 -12.434 6.966 6.414 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 -11.107 13.606 -5.502 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 -1.700 -1.604 -3.398 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 2.308 1.232 -4.940 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 13.966 7.731 -11.177 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 2.510 -12.210 -7.845 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 0.676 -2.876 0.938 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 8.227 -23.752 15.074 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 -1.992 -6.758 -5.367 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 -2.561 -5.421 -2.739 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 3.968 -7.683 -3.970 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 -8.238 -24.944 -16.029 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 4.874 -2.495 4.288 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 5.473 -3.608 4.887 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 6.572 -4.974 5.841 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 7.238 -2.980 -0.491 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 7.982 -2.826 -0.952 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 5.304 -5.470 2.317 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 0.079 5.714 0.606 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -9.579 11.854 -14.373 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 -3.425 8.464 9.323 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 1.324 -4.681 0.314 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 -4.569 -14.327 0.956 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 -6.748 -2.835 -13.290 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 -5.528 0.301 -4.644 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 10.905 21.547 -27.670 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 8.937 12.608 3.298 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 -8.533 1.383 -1.318 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 4.492 -3.385 -11.208 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 6.904 -5.544 -16.341 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 -1.528 -2.963 5.457 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 -5.550 5.341 12.891 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 -14.056 11.927 18.994 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 -3.758 4.170 0.635 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 -0.215 8.996 -3.025 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 -7.329 -1.383 3.799 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 1.225 0.043 -1.342 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 -9.019 -12.138 -19.678 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 -8.243 2.387 25.437 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 5.390 5.325 -1.161 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 3.320 3.743 -5.724 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 11.682 29.635 -16.163 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 -1.225 1.856 -0.107 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 8.991 5.565 -2.878 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 10.800 -5.399 9.932 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 -0.824 0.577 -0.844 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 -8.229 4.335 6.763 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 5.442 -2.267 4.735 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 -2.892 -0.201 7.212 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 5.230 -7.905 -12.041 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 -8.323 -15.559 14.374 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 0.862 -1.780 7.570 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 1.692 -6.402 -12.065 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 10.671 -4.531 4.236 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 -1.463 2.273 -8.486 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 -18.808 -6.521 -25.072 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 -10.897 9.411 10.041 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 -3.593 -1.264 2.836 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 -3.999 -11.335 11.964 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 -5.142 -19.885 11.508 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 0.151 4.224 -0.169 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 5.883 9.350 -10.978 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 7.027 -7.486 4.751 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 -1.111 0.794 -4.852 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 5.044 -6.978 14.150 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 -6.306 -5.133 -3.369 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 3.651 -1.321 1.715 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 -3.948 -11.083 6.825 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 9.377 8.759 2.925 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 -0.576 -0.102 2.331 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 -16.093 3.757 -4.679 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 4.858 -14.570 -5.106 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 2.432 0.686 6.099 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 4.297 12.164 2.956 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 3.372 0.341 6.136 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 6.633 -2.780 2.124 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 4.741 -16.421 4.915 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 4.125 -19.854 3.752 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 4.525 -4.711 6.552 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 1.716 15.040 19.973 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 -9.416 -21.233 15.677 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 -2.403 -0.046 5.599 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 8.547 6.501 17.501 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 3.393 -18.046 8.371 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 -3.325 1.560 -1.480 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 1.258 -5.659 0.904 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 -1.996 1.139 -1.930 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 -0.786 -5.644 -0.347 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 -4.483 -10.406 -13.433 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 -3.693 2.143 -19.563 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 5.677 4.417 4.019 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 5.871 -1.100 1.141 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 -12.044 11.172 21.429 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 6.682 -2.620 1.646 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 25.816 4.534 -0.004 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 31.583 19.222 -4.171 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 1.468 6.470 1.224 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 -1.352 5.764 3.564 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 -20.526 11.026 6.884 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 -1.280 1.477 0.359 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 10.091 0.750 -2.367 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 -9.804 -0.153 -10.226 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 1.514 -2.645 6.963 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 -0.549 -4.774 11.281 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 8.595 10.511 1.379 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 1.374 0.131 0.440 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 -10.180 14.573 -1.778 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 -3.551 2.019 -2.596 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 0.789 -0.309 1.950 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 9.915 -1.233 1.086 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 -2.416 0.496 9.674 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 -0.529 -0.926 0.806 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 18.762 11.798 -4.362 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 -4.957 -24.153 19.431 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 3.023 -1.884 0.882 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 -13.683 -9.358 -8.554 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 -2.510 7.972 -33.844 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 1.618 1.679 -5.075 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 8.563 -5.118 -10.888 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 3.503 -1.729 -4.232 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 -3.195 -0.009 7.235 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 -0.030 6.092 21.060 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 0.338 20.557 10.487 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 3.762 -4.558 0.114 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 7.545 -26.685 17.633 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 -7.661 16.432 17.206 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 -0.321 0.620 -1.286 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 5.321 -9.849 5.053 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 9.316 0.342 -13.861 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 3.911 5.174 -6.862 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 6.703 -3.116 -12.551 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 9.937 22.931 2.526 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 -1.242 -4.590 -3.399 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 -0.107 2.370 0.746 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 3.427 0.357 3.420 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 1.508 -1.810 -1.306 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 -0.422 7.291 11.721 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 7.182 0.794 0.146 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 0.067 -3.097 -4.720 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 2.450 -9.466 -4.467 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 -4.112 -2.518 0.026 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 1.851 -2.375 1.376 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 -0.685 1.357 -16.638 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 -11.571 9.734 -31.415 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 8.078 5.983 -0.526 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 7.342 1.207 -2.366 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 0.723 -6.094 -20.017 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 2.879 0.553 -0.590 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 -1.875 2.966 0.390 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 11.061 19.158 -5.061 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 1.460 6.201 8.990 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 -5.239 2.547 9.842 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 11.228 1.138 7.565 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 -8.352 -8.273 0.011 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 4.523 2.040 0.928 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 -6.375 6.630 -16.816 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 2.696 -3.902 -0.540 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 12.447 -7.406 -4.117 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 2.526 8.227 -1.135 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 -7.015 -3.971 0.746 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 -10.836 0.987 5.380 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 -18.684 -2.474 3.381 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 -2.380 1.014 -8.137 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 -9.114 1.559 -15.906 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 -6.374 4.283 -3.693 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 0.060 -3.279 6.273 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 -4.437 6.590 3.608 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 12.951 -21.119 -16.090 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 2.836 -0.632 -1.446 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 17.761 -12.655 -32.596 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 5.692 -22.015 12.144 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 1.904 -3.376 -6.025 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 8.622 21.106 -3.003 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 -8.557 4.375 -1.742 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 -0.136 1.736 2.060 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 10.110 -10.670 16.992 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 -6.704 5.620 -8.029 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 -2.544 0.801 -1.818 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 -0.850 0.804 0.144 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 -4.030 -7.519 1.058 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 2.033 5.717 6.941 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 14.855 -1.349 8.859 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 -4.568 -0.340 -10.462 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 1.271 -1.575 1.484 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 -6.678 18.119 3.678 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 6.163 -35.011 13.825 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 -1.369 0.839 7.570 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 -25.792 5.386 6.492 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 -7.682 1.919 8.244 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 -3.656 3.017 -0.464 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 -20.388 -4.945 -0.832 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 0.325 12.533 -9.610 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 0.357 -1.058 -2.867 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 18.423 0.650 8.204 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 18.664 -11.638 -20.869 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 3.819 -4.360 0.877 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 5.409 18.586 2.568 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 -17.466 -20.426 5.870 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 0.091 -0.225 -0.684 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 3.740 2.237 -22.924 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 -4.915 -4.197 -3.872 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 -2.521 -4.383 -0.393 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 4.535 -22.396 4.503 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 -3.575 33.047 -6.348 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 1.789 -1.538 -1.521 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 1.573 -20.009 -15.708 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 21.692 -12.477 -40.279 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 0.555 -0.171 -3.259 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 8.092 -9.534 2.194 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 -17.635 12.520 7.283 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 -0.661 -1.838 4.068 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 -19.263 -10.784 3.382 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 -6.310 -8.301 18.915 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 -1.518 -3.645 0.464 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 -22.178 1.251 10.482 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 9.511 -0.189 11.795 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 -6.736 -0.760 -7.386 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 -4.352 -0.150 -12.503 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 -9.138 -6.503 12.087 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 -0.348 2.844 3.808 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 -4.834 4.247 2.520 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 -0.297 1.283 5.215 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 -3.382 3.752 5.257 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 -8.981 0.647 -1.766 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 -22.140 2.120 14.574 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 -0.812 4.862 4.409 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 -11.629 -4.799 -2.045 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 3.547 10.594 7.555 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 4.800 1.197 -4.245 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 -2.766 6.697 8.361 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 -6.762 -14.238 -9.857 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 -1.036 1.609 7.483 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 5.127 -2.259 7.825 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 -5.433 -4.633 18.373 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 3.642 4.640 2.346 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 15.499 -1.880 4.564 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 -11.220 -9.076 -0.718 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 0.018 -1.166 -2.710 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 -10.723 -3.516 -1.150 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 4.126 10.136 -10.113 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 -2.780 -1.145 -1.555 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 -0.019 -6.511 36.281 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 28.003 0.128 20.788 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 2.061 -4.323 -8.731 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 5.530 5.686 -7.381 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 1.537 -15.542 0.794 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 -4.374 -2.570 -1.079 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 -16.544 -5.254 -19.650 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 -18.914 5.957 13.343 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 8.978 -0.814 -1.925 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 7.934 -0.021 3.272 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 9.196 -3.304 -11.194 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 3.392 2.548 -1.623 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 -6.256 17.367 2.470 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 18.136 10.174 12.695 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 -1.729 3.255 -3.423 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 5.885 -3.425 6.349 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 -6.816 10.655 -2.038 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 5.500 -4.344 -5.312 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 14.733 -13.242 -5.242 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 3.355 1.906 3.610 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 2.958 6.820 -2.241 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 10.441 2.689 -7.545 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 -2.762 1.804 8.412 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 -1.964 -0.757 -5.303 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 -18.494 19.070 -4.656 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 4.357 -12.156 1.161 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 -5.586 0.470 -2.530 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 24.177 -25.931 1.127 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 -24.278 -10.611 6.479 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 -2.515 7.104 3.272 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 -11.864 8.534 5.699 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 -11.370 13.626 23.660 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 -0.459 -4.860 -1.824 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 -17.378 -1.033 7.912 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 10.897 -16.327 10.519 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 -1.288 -1.929 -0.639 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 -34.802 17.773 -11.955 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 -16.328 5.238 8.371 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 0.917 0.627 -1.636 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 10.246 -4.477 -5.389 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 -3.716 -4.309 14.349 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 -0.835 -1.111 -0.178 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 1.651 -20.054 14.374 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 -18.262 8.355 27.910 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 -3.863 0.026 2.318 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 -1.310 -7.538 -1.783 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 -9.167 -3.214 1.977 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 -0.095 -0.234 3.279 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 7.647 -2.196 0.853 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 -3.899 0.332 4.485 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 -4.490 1.298 0.386 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 4.765 -11.354 -5.389 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 5.828 -15.376 -5.790 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 0.858 2.548 -3.242 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 8.185 1.164 4.211 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 -3.350 1.149 -0.578 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 -2.451 -7.644 3.551 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 -9.963 30.294 14.772 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 18.327 -11.842 4.748 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 0.467 -3.150 -3.736 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 -16.341 0.042 13.660 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 5.531 -25.502 -24.190 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 -4.446 1.748 -5.236 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 0.482 18.303 1.327 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 16.061 5.228 -6.309 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 0.470 3.007 -4.148 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 -1.406 -0.906 -7.151 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 -0.884 -0.006 -6.320 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 0.447 0.478 -1.679 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 -8.925 -25.245 5.011 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 6.472 11.216 11.529 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 -2.780 -5.889 -3.104 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 5.232 -7.875 -9.278 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 10.884 7.540 8.668 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 3.016 6.019 -5.037 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 6.105 -10.702 -17.752 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 14.528 0.719 13.873 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 4.003 3.880 0.232 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 3.967 9.776 17.503 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 3.465 -20.031 -10.950 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 2.595 -0.158 -3.329 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 -13.359 -4.436 0.220 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 1.155 -2.164 14.403 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 1.266 -3.315 2.874 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 2.921 1.311 16.301 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 -0.854 -11.074 -27.426 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 2.769 -0.606 5.055 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 -25.809 -5.478 6.959 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 -19.578 3.941 29.123 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 -2.989 3.139 1.047 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 8.623 -3.626 -4.657 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 -1.024 3.466 -1.814 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 5.636 -4.819 -1.110 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 17.705 -8.467 1.351 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 -3.098 14.383 17.658 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 -1.759 4.111 -3.477 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 4.782 -8.364 -0.539 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 -18.374 -19.256 -2.563 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 -4.550 2.070 -2.247 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 1.313 -2.163 5.849 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 -5.755 19.655 -10.443 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 -0.963 6.785 0.940 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 -5.933 -21.771 2.254 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 -17.058 1.017 1.088 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 -6.586 5.967 -9.627 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 0.024 17.119 5.434 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 7.050 -9.253 1.834 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 0.961 -3.407 -4.764 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 0.416 -9.687 1.947 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 0.669 4.862 -2.645 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 1.297 4.165 -2.454 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 5.674 17.351 -2.219 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 -12.372 6.354 -1.186 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 3.165 -0.772 -2.913 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 19.105 -37.207 -13.437 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 -6.705 1.322 -11.174 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 0.365 -2.707 3.012 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 11.594 12.661 -1.944 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 -3.004 -4.447 13.780 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 -10.179 6.039 -2.234 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 -23.721 1.957 18.588 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 -14.889 -3.572 -6.973 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 -3.014 5.605 0.652 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 -4.818 0.056 -3.502 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 7.328 -4.169 -9.584 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 -1.125 2.731 -1.321 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 15.879 5.898 2.537 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 8.151 9.453 -1.060 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 -0.440 -1.148 0.167 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 -0.109 0.582 3.380 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 7.692 1.173 -0.386 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 1.040 -4.225 3.991 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 -4.586 -18.452 -4.097 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 -6.601 9.874 7.387 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 -3.238 -0.056 -4.126 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 -10.930 11.114 -3.462 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 -8.875 -14.566 9.590 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 -3.805 1.403 -2.434 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 -4.625 -2.270 -2.251 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 0.148 -12.094 -9.984 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 1.043 -0.608 -4.218 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 -2.331 7.116 -10.736 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 -2.671 2.457 -19.758 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 7.740 2.857 -0.455 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 -0.587 -0.983 11.495 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 0.712 0.277 0.805 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 -0.933 4.205 -0.749 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 8.426 3.737 -7.999 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 -1.662 8.061 -3.296 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 3.311 -7.051 2.796 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 3.467 -2.561 0.277 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 4.572 -6.906 3.160 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 -2.559 -1.938 3.608 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 -5.576 4.828 9.489 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 -10.569 -0.998 2.013 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 -3.525 -0.834 5.517 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 -3.694 2.199 -2.749 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 -15.502 14.299 2.831 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 0.005 -0.094 4.252 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 4.207 31.563 2.430 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 25.131 -7.669 -16.947 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 -1.620 -0.601 3.902 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 -0.046 -1.596 2.959 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 -11.308 9.672 -6.728 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 8.104 -3.534 2.954 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 4.086 -29.647 1.895 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 -14.668 1.760 -11.362 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 -2.875 6.162 -3.688 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 6.809 -11.957 -25.828 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 11.455 16.348 9.017 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 -3.935 0.079 -2.225 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 -13.919 -12.483 13.132 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 -11.333 0.611 10.778 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 0.234 -2.338 -4.777 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 -2.250 9.344 -6.869 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 20.211 4.501 6.837 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 -4.891 1.375 2.295 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 -8.543 12.941 0.482 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 -3.413 -6.253 1.524 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 4.304 4.103 -3.432 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 11.105 -0.850 -1.730 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 0.641 5.791 10.861 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 3.022 -0.302 3.695 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 -21.644 -14.653 13.578 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 -4.226 11.788 -22.312 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 2.978 0.617 5.046 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 -4.237 -37.188 -0.522 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 -2.240 -6.487 35.675 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 2.356 4.936 -4.703 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 0.395 11.781 11.320 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 -4.954 2.865 18.416 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 4.541 2.251 -4.428 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 4.654 -1.365 -12.176 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 2.805 -0.773 7.890 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 5.853 -2.086 -0.529 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 18.898 29.670 15.093 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 0.052 10.976 -1.459 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 1.571 -2.447 -1.770 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 -3.728 -10.680 13.424 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 -7.917 3.377 -22.349 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 0.165 5.079 -2.123 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 2.295 -1.262 -7.624 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 -7.565 6.299 -6.304 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 -4.792 -0.369 -1.134 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 -3.980 -7.773 -1.258 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 -1.391 -18.967 -5.817 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 -3.993 -1.828 -0.905 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 -4.676 -3.417 2.864 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 -3.173 -0.770 -1.119 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 -1.824 3.047 -3.579 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 2.597 13.464 -7.492 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 19.348 -2.488 -20.588 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 0.071 -4.166 3.901 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 -4.134 -11.783 -12.542 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 1.965 1.482 13.908 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 1.213 -0.119 4.876 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 11.679 19.823 6.843 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 12.937 -11.696 5.384 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 0.887 -4.915 -4.221 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 -10.436 19.648 -9.238 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 -4.476 11.241 -9.542 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 1.971 2.333 3.606 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 9.178 12.137 3.144 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 -6.991 26.251 4.490 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 -0.782 -0.039 2.851 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 -12.479 0.722 30.705 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 14.919 -4.633 -0.698 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 3.436 -0.204 -4.057 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 8.806 -9.495 -6.613 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 7.669 1.449 1.146 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 0.407 -0.257 -0.549 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 -1.339 -3.378 25.074 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 -32.011 -4.848 27.746 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 1.140 3.587 2.504 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 -9.004 10.597 19.428 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 6.589 -6.045 -2.473 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 -6.544 -3.235 2.668 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 -8.543 7.630 -8.835 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 -2.738 -15.532 26.555 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 0.480 6.959 -2.606 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 5.784 15.911 -4.280 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 2.167 -1.300 -13.108 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 0.431 -1.294 -1.159 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 1.374 -11.528 -14.777 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 5.996 -1.953 -6.245 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 1.541 5.400 -6.388 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 -18.782 -1.676 3.406 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 18.640 -6.390 3.239 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 2.071 5.042 -0.169 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 13.052 -4.584 3.999 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 -8.905 -6.189 -7.769 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 2.968 8.212 1.856 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 20.304 -6.635 1.892 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 2.109 -1.276 9.331 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 -0.419 1.046 -8.083 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 8.325 6.279 -0.463 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 -4.913 3.478 0.098 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 -5.356 0.025 -0.629 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 0.777 8.676 -3.437 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 -8.471 0.709 9.476 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 -1.628 -1.426 1.717 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 5.033 15.715 -1.700 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 -10.597 2.478 -7.196 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 3.302 3.874 -6.010 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 25.343 -13.575 -3.648 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 -11.465 11.614 -0.694 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 -8.071 2.902 -3.146 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 -17.719 8.411 5.076 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 -7.023 2.947 -1.562 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 -3.324 -0.612 2.481 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 3.853 -39.327 -4.475 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 19.731 -1.273 7.865 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 -1.979 -0.775 5.738 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 -34.790 4.930 -7.393 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 10.859 -3.150 8.883 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 1.255 1.281 3.471 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 -7.658 -2.387 -14.028 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 0.949 13.696 22.733 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 4.989 0.627 3.837 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 3.550 -14.745 7.370 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 7.840 15.579 -2.351 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 7.479 4.301 1.539 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 -0.737 22.022 -9.541 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 -19.065 0.752 -2.682 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 -2.355 2.439 -2.365 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 27.098 8.093 -4.006 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 -3.684 -14.945 22.806 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 -5.316 -2.182 -2.895 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 16.783 -13.912 0.493 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 -6.329 8.687 -3.765 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 -0.898 -1.367 2.743 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 5.057 25.082 -30.192 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 -32.514 -2.742 6.913 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 -2.244 -2.848 6.343 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 18.215 -0.203 21.123 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 -17.986 -4.435 -4.734 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 -0.135 2.342 -1.356 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 -4.582 -2.919 2.348 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 15.750 17.103 18.703 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 -1.033 6.040 4.094 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 -8.394 -28.337 8.664 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 -16.307 -3.745 3.301 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 -0.294 3.133 -4.663 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 11.597 8.370 5.524 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 -14.965 -7.696 11.200 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 1.631 -1.488 4.199 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 22.383 34.808 -1.876 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 11.711 -11.014 1.098 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 3.950 -0.695 -1.074 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 -8.795 -5.819 -9.657 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 13.641 -7.105 0.238 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 1.014 1.232 -2.092 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 18.756 -14.848 7.236 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 1.640 1.731 1.153 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 -1.482 2.731 -3.925 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 6.152 0.657 -4.115 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 -1.742 8.984 0.587 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 -0.500 -3.283 -3.274 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 6.709 -10.862 -8.038 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 2.491 19.172 5.953 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 -6.125 4.832 -0.740 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 15.254 10.990 18.671 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 6.017 7.770 -23.478 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 1.552 -0.629 -4.431 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 9.947 -8.897 -3.602 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 10.971 9.144 -1.842 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 -1.121 1.363 4.771 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 -2.243 19.699 -1.387 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 -11.950 -18.120 4.009 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 1.152 4.496 -0.468 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 19.704 -15.822 7.374 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 17.207 -1.841 6.054 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 4.317 1.661 0.679 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 -7.888 10.066 19.444 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 -9.774 -12.592 -15.409 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 -2.123 -0.486 2.570 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 0.221 -2.376 4.074 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 14.797 7.978 -18.784 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 -4.097 8.895 4.090 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 -0.249 25.808 -2.544 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 -13.672 -10.278 20.683 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 -0.614 3.862 -0.164 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 -13.543 -8.808 -12.433 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 8.314 0.918 0.241 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 -11.072 5.653 1.748 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 5.914 -4.719 6.190 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 9.161 -8.670 11.141 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 -6.687 -1.345 -4.804 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 -22.897 -25.076 -14.707 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 9.973 -5.651 -9.987 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 4.175 -4.229 -1.978 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 -0.005 -7.236 -8.671 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 -2.215 -18.130 -2.766 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 2.679 -3.198 0.993 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 -1.041 -4.282 0.692 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 -22.969 -2.844 11.695 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 1.874 -1.210 -4.475 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 2.225 11.163 0.603 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 5.834 8.868 -3.244 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 0.797 6.853 -2.005 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 -12.157 0.996 7.072 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 1.681 -10.447 -0.704 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 5.829 1.253 -3.955 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 6.072 -5.539 -10.543 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 9.322 -9.193 0.171 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 5.719 5.853 3.359 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 16.615 11.931 -2.961 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 -4.329 13.630 2.596 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 -1.694 -3.269 -3.864 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 -7.585 0.407 3.464 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 -5.713 19.135 18.399 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 -0.942 5.996 4.710 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 -1.347 19.872 -4.284 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 8.773 -5.754 -14.829 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 2.063 -1.171 -6.722 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 6.685 -16.402 -45.803 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 6.256 -1.535 -4.191 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 -1.374 2.487 3.644 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 -13.510 12.397 -11.218 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 1.841 4.012 -21.499 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 3.473 0.580 2.115 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 18.636 6.617 -8.076 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 -2.215 -7.574 11.401 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 -7.288 7.918 0.099 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 13.899 -23.997 13.493 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 -13.754 -18.082 -11.435 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 0.070 -2.173 2.873 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 1.963 -2.491 1.055 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 -0.665 -0.157 -15.339 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 1.446 -1.906 -2.014 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 11.952 16.207 -2.509 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 7.781 16.070 1.339 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 0.671 -1.976 2.327 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 7.889 6.598 2.325 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 -8.393 5.168 2.397 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 3.014 2.499 -4.975 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 1.118 -1.738 0.489 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 -0.221 -4.510 4.107 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 0.459 2.643 -2.616 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 -0.800 1.957 -11.096 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 -0.949 -0.387 -6.827 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 -5.963 -2.915 -6.051 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 -0.186 -1.494 -13.019 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 2.012 -0.727 -15.209 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 -0.749 1.439 2.922 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 42.963 18.812 2.636 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 6.565 4.909 0.518 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 2.759 2.039 -3.836 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 3.581 -25.970 7.314 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 14.879 -11.858 -11.919 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 -3.529 -8.113 -1.615 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 2.040 -10.302 20.030 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 -7.799 -6.101 -8.505 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 0.541 -0.072 3.710 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 -3.002 11.906 -9.222 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 -12.789 -13.729 2.216 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 -2.977 5.038 -0.591 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 -18.573 -3.657 -4.754 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 7.785 10.867 -1.050 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 -0.588 -2.820 2.416 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 4.683 -13.217 -14.337 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 0.149 -15.391 -2.312 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 -2.270 3.071 3.371 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 -16.270 -12.035 -16.338 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 -3.720 -0.947 -5.292 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 0.548 6.233 -0.386 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 0.965 5.910 -1.055 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 1.381 6.355 -0.275 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 -0.504 5.918 -0.853 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 0.227 19.558 -6.314 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 -0.041 4.906 -2.037 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 0.084 1.067 1.204 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 14.511 -9.432 1.021 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 -8.367 0.812 16.185 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 6.743 1.255 0.561 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 -3.254 -16.792 0.102 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 8.340 8.100 2.479 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 -1.134 2.225 -2.771 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 3.818 -10.403 4.577 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 3.652 -6.472 -8.408 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 -0.158 1.046 -1.515 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 -4.141 -13.608 -4.956 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 10.742 0.809 0.238 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 -0.524 -2.869 0.001 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 -6.196 3.551 9.883 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 -7.057 4.402 2.773 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 3.539 -6.406 4.265 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 4.839 -0.713 -16.523 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 21.698 -19.056 7.892 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 1.753 3.441 2.272 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 1.346 -10.590 -13.327 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 12.773 11.446 14.138 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 5.329 -4.512 -2.478 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 11.678 -7.495 4.475 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 14.377 -5.175 7.797 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 6.587 -2.862 0.755 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 -18.863 12.368 -23.143 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 8.162 5.146 -21.419 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 4.274 6.859 5.000 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 -1.829 0.315 10.666 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 7.298 -2.120 -8.785 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 -0.088 -1.939 3.612 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 -9.715 -12.091 -2.259 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 -15.882 30.945 19.711 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 -0.047 -5.772 2.211 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 -13.341 -11.543 -7.874 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 5.119 -17.183 5.911 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 -0.581 -0.229 -2.447 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 -5.813 14.390 -4.558 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 3.760 -0.726 -3.540 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 6.558 -1.330 0.525 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 4.483 -7.995 6.235 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 1.531 13.258 15.246 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 -0.112 0.596 5.762 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 -0.784 23.774 11.152 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 -13.695 2.922 23.463 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 -3.980 3.856 2.987 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 -19.080 -4.747 -33.332 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 15.618 -0.250 10.210 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 -1.457 5.924 -1.129 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 -13.631 0.700 6.768 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 -3.555 -7.703 -4.090 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 0.392 -1.534 2.591 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 2.700 3.081 -1.017 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 16.336 -5.693 6.251 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 -0.289 -3.182 3.513 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 2.182 -8.867 9.762 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 2.829 -7.984 -4.195 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 -0.309 -5.717 -5.327 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 3.082 -8.910 -3.383 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 -14.152 8.512 -2.972 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 3.813 -4.328 0.333 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 6.438 15.810 11.637 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 -2.672 -0.844 -5.234 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 -5.597 3.376 -0.218 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 -20.206 -2.628 18.160 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 3.738 -4.476 0.863 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 1.594 6.715 -2.451 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 18.749 -8.112 -4.664 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 -14.231 21.751 -13.672 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 3.091 -0.968 -6.750 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 -13.275 12.398 14.342 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 -0.459 3.023 -34.877 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 -3.693 2.202 4.440 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 -27.999 4.485 7.524 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 17.405 1.448 -9.047 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 -2.199 0.222 -4.678 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 4.029 12.256 -5.498 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 6.792 -8.132 -4.127 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 3.408 -0.260 -2.691 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 3.760 3.037 -8.732 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 1.174 7.804 4.452 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 5.409 1.616 -4.105 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 15.734 -7.743 3.372 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 -10.181 14.797 -5.036 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 -4.127 -10.086 0.892 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 4.654 -17.869 -5.592 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 9.641 -12.403 -2.927 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 -4.086 -8.030 0.976 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 23.302 12.706 1.585 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 -8.251 15.794 3.069 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 1.460 3.571 3.220 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 7.334 -10.376 3.393 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 9.150 6.500 0.348 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 4.388 -4.169 5.422 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 1.568 3.901 5.096 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 0.766 -8.277 -0.719 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 3.625 -3.141 -1.329 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 3.259 2.518 -14.328 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 8.604 -0.690 -1.030 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 -2.196 6.936 3.309 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 -26.567 -7.806 -11.046 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 5.232 3.266 -6.905 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 -0.427 8.666 -4.815 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 -3.300 28.842 -4.116 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 -8.805 1.374 4.609 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 3.975 4.610 -1.378 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 2.429 4.708 -1.248 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 10.400 20.974 1.692 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 0.673 -3.786 0.324 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 0.482 -12.715 -1.787 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 0.143 13.534 -16.865 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 3.599 -10.442 5.105 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 8.231 -18.275 7.308 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 -0.159 3.225 2.545 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 -0.210 -7.786 -1.504 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 -1.288 -12.215 -46.876 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 1.227 -5.601 14.750 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 -2.850 2.712 -0.867 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 -2.618 10.643 15.474 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 4.869 0.556 -6.047 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 -3.030 -1.784 -4.759 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 3.302 -6.072 -5.065 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 -11.517 -3.531 7.975 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 -8.815 0.461 3.599 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 13.651 15.552 -6.021 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 -3.799 6.303 3.647 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 1.406 -1.664 -2.980 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 -2.365 -16.788 -4.023 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 10.555 -5.167 -8.702 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 5.147 4.630 1.697 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 -14.121 -15.513 3.294 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 10.445 0.494 -0.867 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 -0.989 -3.518 2.920 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 3.067 -2.310 -3.479 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 -15.583 -9.746 25.883 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 1.776 -2.369 1.102 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 -6.078 11.697 7.483 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 13.711 6.910 -7.954 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 -3.622 3.390 2.635 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 -13.596 -17.280 -1.637 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 -6.431 -10.758 -1.787 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 -0.147 2.828 3.476 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 19.549 15.902 13.217 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 -33.525 10.988 4.041 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 -6.552 0.511 4.292 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 5.806 -12.647 -22.700 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 -5.514 -7.593 -17.421 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 2.658 -2.329 -4.839 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 3.192 7.646 17.200 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 13.447 -7.285 -10.541 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 3.315 5.142 7.132 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 -14.989 -8.373 -17.134 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 1.532 4.191 9.827 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 1.953 1.042 -2.024 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 1.180 -6.541 6.988 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 3.870 -4.652 20.222 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 0.677 0.138 -3.068 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 16.474 -7.851 -4.302 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 5.477 16.655 2.084 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 1.856 -2.062 1.407 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 7.586 -13.826 11.315 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 6.248 8.546 0.489 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 4.781 3.964 0.808 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 14.384 -11.123 -4.899 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 16.287 -2.420 11.002 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 5.412 -0.174 1.121 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 15.219 -11.816 1.362 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 1.079 -10.666 -12.641 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 -1.452 -1.484 0.621 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 -9.287 -20.137 13.197 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 -21.020 3.268 10.185 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 -7.705 0.896 9.309 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 14.341 5.116 -12.334 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 8.527 2.527 18.709 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 4.797 4.895 0.393 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 -3.194 5.950 1.681 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 -0.827 6.168 -1.260 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 2.468 -0.587 -3.143 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 -9.909 11.857 -7.498 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 16.292 -3.169 16.868 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 6.238 -5.065 4.001 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 12.557 -4.528 1.253 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 32.946 -2.756 -6.385 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 -2.122 0.468 -0.468 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 -25.300 -13.043 29.203 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 -11.868 -2.755 -13.508 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 1.195 -9.126 -0.377 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 3.711 -0.092 15.867 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 -2.218 -4.963 -2.408 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 -7.154 0.815 1.962 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 -2.172 -13.625 14.373 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 -16.836 -27.818 -6.810 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 5.437 5.210 -2.505 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 -5.530 20.572 -16.082 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 5.855 4.246 2.253 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 5.576 0.066 2.990 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 17.534 42.007 -2.433 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 28.118 -3.138 -12.060 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 -1.912 -1.374 -4.739 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 -6.994 -4.948 -19.669 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 -10.496 -7.434 -3.345 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 4.527 6.144 -4.300 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 2.949 -2.041 -5.144 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 12.162 -12.825 3.266 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 0.566 1.428 -3.403 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 1.322 -8.702 4.690 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 12.701 5.570 -3.442 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 -1.910 -4.833 0.702 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 -26.463 6.342 21.646 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 12.627 -22.076 -24.208 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 -12.655 -3.628 -0.777 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 -9.973 8.006 7.026 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 6.173 -15.958 -13.267 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 3.575 -1.666 -2.011 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 25.177 2.784 13.696 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 3.175 13.995 -8.045 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 2.842 2.841 -4.201 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 -4.730 14.489 11.080 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 6.527 5.852 -7.590 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 -0.269 0.286 -2.416 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 -4.295 -2.096 -7.581 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 18.311 9.665 19.784 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 1.595 -4.360 -4.319 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 2.844 -4.847 -4.718 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 2.635 -3.450 -5.827 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 -1.525 -4.910 4.444 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 8.845 19.489 -4.679 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 1.601 1.261 -0.142 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 2.469 5.248 -0.204 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 0.280 9.085 8.397 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 11.374 4.280 -25.239 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 -2.106 4.313 8.734 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 -15.452 -8.579 14.471 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 -17.673 15.700 16.255 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 -6.873 1.471 -5.187 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 -6.809 -6.163 -14.358 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 -6.241 9.792 -0.487 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 -2.582 2.826 -0.681 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 19.531 0.467 16.154 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 7.785 19.234 -6.374 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 2.075 -5.882 1.677 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 -2.685 27.032 -3.065 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 2.664 -2.153 2.577 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 1.543 -2.872 4.314 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 -6.427 -12.810 -6.600 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 3.521 -2.105 4.687 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 -3.734 1.025 7.156 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 -11.535 9.169 12.701 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 -4.057 7.588 23.824 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 -7.563 -5.348 -1.470 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 15.655 8.201 -15.293 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 -12.563 22.551 -27.625 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 -1.309 -5.814 -6.606 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 2.414 -10.356 -1.491 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 5.227 -21.093 -19.444 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 -0.721 3.466 -4.554 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 7.342 -7.680 11.726 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 -0.940 5.973 -5.802 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 -2.192 1.151 -4.388 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 8.974 11.156 5.422 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 5.958 5.037 -13.828 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 -3.671 3.291 -3.726 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 -7.365 3.785 2.858 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 -6.910 8.952 -6.620 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 -6.589 -2.153 3.815 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 -10.929 7.753 -9.074 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 16.152 23.823 6.534 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 1.617 -1.401 5.004 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 -0.881 3.038 3.902 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 -7.815 7.194 3.945 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 4.427 1.862 -1.245 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 -12.461 -1.277 -4.753 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 12.230 -24.257 -32.187 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 4.191 -8.172 -1.069 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 -14.986 3.618 1.345 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 3.461 -12.887 -15.366 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 -2.544 2.351 4.942 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 -14.040 -15.340 1.810 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 -3.303 2.146 24.009 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 -6.024 -4.399 6.034 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 2.393 -3.714 9.689 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 -0.764 -7.229 -24.407 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 -0.242 -5.664 1.798 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 -1.461 -6.534 4.773 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 2.842 7.800 -11.650 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 -7.768 4.330 5.203 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 -3.946 16.670 28.324 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 -9.530 -15.566 3.887 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 0.408 2.088 5.953 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 9.669 0.605 -11.310 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 1.065 2.928 2.558 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 -0.536 5.319 -6.552 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 -3.662 4.191 3.471 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 15.085 -24.575 -36.104 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 -3.257 -3.752 3.097 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 4.882 9.297 0.736 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 -21.796 -0.074 -13.067 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 -5.053 -4.960 1.956 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 -9.099 15.637 14.980 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 -10.426 -10.758 -19.519 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 5.385 1.664 -0.544 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 3.838 5.186 1.151 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 -4.858 19.339 -2.978 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 -0.863 -5.442 -3.812 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 14.881 -15.542 -22.163 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 17.897 -14.912 -24.546 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 -2.120 -4.770 1.378 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 -15.330 -11.313 1.330 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 22.122 11.551 -16.342 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 -0.043 -3.339 -2.115 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 18.304 32.252 5.635 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 9.383 -18.293 -13.613 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 0.500 2.792 0.437 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 -10.815 -9.538 -2.221 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 -8.849 22.590 20.858 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 2.458 4.262 -3.054 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 -25.892 11.400 -11.069 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 3.899 13.142 12.051 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 -4.469 -2.033 -0.163 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 -23.816 -4.039 2.113 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 -4.878 -3.468 -8.971 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 0.884 2.718 -0.859 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 5.017 2.296 7.827 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 26.955 17.708 22.043 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 2.059 9.860 -6.992 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 1.606 -10.560 -3.064 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 -0.637 -11.849 0.707 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 -7.899 -4.806 -5.450 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 -6.405 -11.907 4.304 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 -16.551 11.082 3.519 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 2.131 -0.581 3.783 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 5.170 4.496 10.795 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 7.043 1.461 11.962 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 -6.265 4.952 -1.863 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 9.887 -0.563 5.240 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 2.343 0.967 4.997 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 0.350 4.898 -1.583 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 1.941 -2.340 28.282 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 10.055 -3.877 1.636 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 -3.665 -8.502 -1.098 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 14.283 -0.458 -6.719 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 -21.845 5.762 4.600 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 -0.765 -3.160 2.767 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 -2.839 -12.591 8.661 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 -11.360 0.770 0.457 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 -0.265 1.258 -7.180 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 9.336 6.103 6.339 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 -23.953 -7.493 15.487 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 -2.783 6.956 3.523 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 -0.067 -22.630 -9.388 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -2.883 14.352 2.631 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 5.941 -0.201 -3.308 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 -15.447 -2.654 5.560 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 13.775 -5.248 6.053 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 1.910 4.713 2.253 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 -21.069 19.187 -0.787 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 16.397 -4.846 12.052 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 1.628 -0.601 0.979 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 -6.605 8.364 1.756 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 -10.662 0.797 4.556 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 4.128 0.501 -1.923 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 11.999 -9.998 -9.828 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 4.940 18.994 3.669 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 -4.777 -2.239 8.768 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 11.166 -1.584 19.890 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 14.342 16.840 13.138 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 -6.898 5.713 3.931 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 -8.767 18.191 -10.031 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 -6.231 -3.290 -1.287 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 -1.822 -6.880 1.881 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 3.871 1.062 1.726 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 -9.329 -17.036 -12.236 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 -2.094 -6.921 0.983 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 -24.553 -6.163 13.959 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 -9.547 -13.130 -25.539 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 1.031 -3.695 0.708 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 -5.718 7.693 4.218 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 -8.061 5.152 25.394 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 3.820 3.002 2.117 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 -1.383 0.564 -2.382 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 3.957 4.022 2.000 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 1.333 2.698 2.470 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 4.169 -2.942 0.205 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 11.113 -16.931 -5.816 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 -4.582 5.099 -0.717 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 -18.388 -0.415 -10.141 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 -9.529 4.879 -1.510 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 -4.371 -0.336 2.091 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 3.238 -5.372 9.986 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 -2.001 -3.544 -0.050 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 -3.905 8.145 1.195 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 -11.699 6.326 2.227 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 -3.203 10.499 8.543 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 -1.585 2.625 -1.398 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 -0.377 2.928 5.407 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 -11.694 14.677 -10.709 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 -4.005 6.472 -3.635 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 0.068 1.988 -0.949 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 -7.497 10.829 -5.183 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 1.321 2.377 -0.514 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 -0.413 11.209 4.128 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 0.786 -16.775 12.597 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 -6.693 -0.007 3.640 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 -3.015 3.694 0.988 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 -1.808 -24.221 9.300 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 2.507 0.087 -3.816 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 16.428 7.820 7.275 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 2.225 4.912 -8.448 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 4.581 -0.543 0.610 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 -8.511 -7.150 0.940 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 -6.311 -11.655 21.823 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 3.197 -0.935 2.111 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 -3.111 12.827 8.006 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 2.556 -5.411 -4.102 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 0.773 -5.645 -4.414 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 17.302 -13.590 -17.765 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 -1.204 1.300 -0.328 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 4.113 8.483 0.639 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 -6.353 -3.710 -11.105 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 1.471 5.316 1.843 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 -5.991 0.553 -1.362 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 1.386 4.166 -1.911 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 10.338 -5.019 3.712 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 -5.202 -6.705 1.398 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 9.795 -4.853 4.113 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 -8.110 -7.012 16.194 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 -0.105 -0.680 5.428 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 11.007 -7.634 5.763 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 14.794 -8.501 6.717 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 -7.910 -1.718 -2.268 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 -27.730 20.574 -4.219 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 0.423 9.967 4.935 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 -0.008 -0.480 -4.742 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 -0.568 -4.349 3.999 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 -4.667 7.362 -3.906 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 12.241 1.476 -5.982 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 13.499 5.525 9.500 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 -0.275 -3.122 -8.875 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 -1.285 5.007 -3.696 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 24.295 15.279 -7.319 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 -8.582 -14.078 -8.101 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 -3.405 0.927 -3.169 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 8.365 -0.464 1.997 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 4.901 1.627 -11.248 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 -6.206 2.781 1.431 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 -6.172 1.319 3.770 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 -0.663 -2.523 3.820 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 -2.880 -3.006 4.340 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 -3.016 -11.402 6.542 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 -21.140 7.927 19.320 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 2.192 13.681 4.598 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 0.294 8.222 -0.748 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 22.302 22.029 -8.395 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 3.738 6.518 -2.154 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 12.030 -3.198 5.059 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 -5.941 5.387 1.936 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 4.445 -0.538 1.669 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 -28.781 -4.843 4.480 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 -3.688 1.032 8.427 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 -4.315 5.196 4.344 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 -3.743 14.638 -27.098 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 10.048 4.563 15.537 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 -5.837 -1.560 0.828 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 7.337 4.167 0.346 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 -2.124 -11.420 -9.916 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 2.683 -3.782 1.839 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 9.497 2.129 1.897 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 1.922 -4.603 1.570 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 -2.626 -0.365 -0.435 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 -29.132 -9.696 -22.604 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 7.650 -4.986 3.916 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 -0.548 2.238 -6.940 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 4.345 -4.297 -9.584 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 4.974 7.476 -17.605 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 3.229 -3.805 -3.093 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 -7.716 -23.439 -7.659 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 -4.187 3.071 0.694 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 -4.494 1.613 -1.606 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 -2.401 -0.258 -2.507 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 -5.384 5.467 1.859 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 -7.198 0.972 4.009 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 -5.322 -3.936 4.143 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 -5.678 -1.391 7.002 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 1.671 2.184 -4.160 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 -4.720 30.059 12.683 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 11.458 -9.930 -18.414 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 2.179 0.437 -0.927 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 -10.657 -3.161 -7.570 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 -7.593 -12.516 -17.610 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 -2.206 -2.038 -4.481 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 -3.766 -6.357 -2.427 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 -7.803 -13.645 0.707 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 0.813 1.094 -2.534 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 3.468 10.963 -10.737 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 -0.027 -7.764 -8.673 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 1.246 0.997 5.187 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 -12.354 -5.627 8.793 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 -13.961 6.697 12.873 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 3.798 1.994 3.502 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 9.596 11.962 -4.913 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 8.832 -10.208 -1.852 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 -0.558 -7.769 4.164 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 -1.174 -7.960 4.399 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 1.240 -6.828 2.949 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 4.018 -0.856 0.413 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 7.224 -0.544 7.091 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 5.005 -13.333 -6.373 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 1.933 7.551 -2.295 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 1.672 18.821 6.535 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 1.848 -11.598 -15.848 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 3.329 0.264 -5.472 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 -22.786 -11.477 -1.611 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 0.576 -0.741 -4.862 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 -1.499 7.534 -5.066 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 2.082 -2.607 -22.527 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 -18.312 15.245 5.094 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 -1.099 3.698 -3.092 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 -17.606 -2.516 -5.984 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 -4.747 13.234 1.330 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 7.516 6.700 2.882 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 0.312 3.524 -7.235 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 18.418 9.636 -2.082 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 0.178 0.770 -3.752 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 -19.014 1.679 7.547 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 -16.736 -7.055 -9.676 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 -9.254 0.767 -0.642 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 -5.525 7.709 -6.009 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 -9.761 -4.076 -3.811 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 -5.032 0.877 -3.545 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 -8.563 7.503 -10.486 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 -3.531 -7.407 -9.655 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 -2.337 -2.207 -1.139 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 7.126 -11.839 -9.742 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 9.121 -0.839 -7.789 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 -2.504 -7.380 1.588 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 9.607 1.230 -1.170 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 -9.579 -18.054 -1.394 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 2.439 -0.239 2.602 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 -18.423 17.198 -10.414 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 26.506 16.651 -2.979 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 3.107 -1.128 -5.320 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 -18.218 -1.612 3.917 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 1.208 1.527 -4.216 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 -7.402 8.396 4.744 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 -17.230 -22.912 15.321 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 -4.757 15.465 1.528 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 -0.371 3.514 3.944 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 10.146 -0.628 -4.018 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 -6.974 -7.830 -9.207 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 1.874 6.098 3.940 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 8.898 6.389 18.971 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 15.080 8.759 -15.695 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 4.203 2.203 5.336 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 -7.746 -1.717 0.420 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 5.167 -12.196 9.238 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 0.719 -0.453 -2.511 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 -6.089 -2.289 4.060 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 7.588 1.486 9.348 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 0.798 -4.215 3.063 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 2.454 3.617 8.518 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 -5.728 -4.290 3.225 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 -0.464 -6.125 -1.963 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 -15.726 9.843 -13.750 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 -10.308 2.282 -10.366 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 0.624 -0.814 1.168 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 20.370 20.863 27.902 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 11.996 -3.185 -0.057 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 0.250 1.415 -1.911 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 9.814 -6.966 25.502 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 -7.863 5.573 -0.352 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 -6.368 -1.540 6.055 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 -6.444 -0.210 7.993 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 -21.032 8.410 -1.047 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 2.598 -0.030 -0.518 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 -17.856 -0.951 -1.102 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 13.415 1.005 0.644 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 4.783 -0.548 0.256 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 -9.404 -18.415 -8.024 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 1.901 -7.695 -3.088 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 -4.311 -7.339 -1.581 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 -9.872 -9.129 0.412 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 1.566 -14.950 8.695 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 -5.371 4.038 2.328 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 -7.536 8.658 -0.547 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 -3.842 3.713 3.677 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 0.375 -3.896 7.736 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 -4.673 -2.746 12.910 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 -12.372 -11.576 3.105 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 -4.743 -3.050 -1.637 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 -3.881 6.159 -0.766 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 4.368 -21.587 -8.549 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 1.736 -4.525 -6.802 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 0.098 11.452 16.188 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 1.648 5.302 7.242 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 5.132 4.038 -4.724 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 -15.432 -5.823 3.975 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 3.824 -5.578 -0.839 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 -5.773 -0.416 1.937 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 -1.530 -15.112 -3.687 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 -8.115 -7.975 15.613 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 -1.289 -0.673 3.262 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 -6.287 14.845 -6.807 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 -12.430 6.060 17.595 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 0.670 -0.020 4.209 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 -6.021 -5.325 3.774 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 48.105 -21.744 -12.985 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 -3.084 2.557 -5.789 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 3.514 0.281 12.599 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 -0.935 19.051 -34.281 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 2.966 -2.130 -2.415 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 13.058 -4.283 4.609 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 0.907 -14.328 5.096 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 0.185 -0.068 -4.966 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 -8.440 -15.723 -6.310 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 -13.681 -6.551 -33.230 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 -6.327 -7.061 0.287 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 -10.707 -8.887 2.996 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 -2.368 -6.772 -6.062 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 -5.549 2.260 -5.868 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 -2.648 -2.959 -10.466 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 -5.714 13.024 -4.341 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 2.565 6.148 1.514 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 8.276 -4.743 -9.726 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 1.294 5.336 -1.690 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 -1.330 2.041 1.659 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 10.462 4.544 10.034 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 26.090 4.928 6.992 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 2.552 -1.481 2.359 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 0.534 -3.178 8.029 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 7.940 -3.388 2.108 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 1.441 3.384 2.486 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 0.091 7.356 20.386 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 18.362 9.834 -3.095 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 2.960 -7.117 -0.974 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 -6.638 -13.630 -5.278 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 3.673 5.528 9.006 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 1.259 2.727 -3.418 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 4.198 -6.135 1.782 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 -1.735 8.472 -2.368 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 -4.416 -5.876 -0.347 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 -25.704 -6.705 5.477 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 16.298 -14.310 -3.118 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 2.119 1.780 -5.555 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 23.070 -15.834 6.860 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 10.893 4.224 -11.832 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 -3.678 3.366 -0.292 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 16.129 -9.399 -1.397 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 13.848 -6.763 0.459 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 3.353 2.975 2.915 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 -2.948 12.878 3.405 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 0.911 6.799 -3.755 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 -2.661 3.464 -6.285 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 3.738 5.044 11.840 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 2.403 13.179 6.324 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 3.626 -2.270 -2.724 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 4.513 -17.499 4.197 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 -15.417 2.092 -0.152 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 -3.884 2.270 -0.779 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 -14.689 -4.563 7.942 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 -10.464 -10.780 25.163 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 3.419 1.322 2.740 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 1.803 3.067 2.524 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 10.177 -2.456 7.526 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 0.100 5.587 -5.163 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 4.163 17.381 -25.244 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 -5.599 9.603 -6.180 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 0.657 -5.050 -5.208 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 8.741 22.282 -4.554 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 5.358 -10.869 5.144 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 -3.200 -1.424 4.128 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 -2.336 -1.157 -2.466 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 -2.545 -7.965 6.549 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 -2.109 -4.615 0.509 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 4.400 -16.817 -6.485 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 -9.289 2.925 -13.188 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 2.979 0.961 -1.976 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 -17.523 -3.589 -6.146 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 13.629 -5.755 -8.937 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 -2.795 -1.525 3.492 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 0.346 5.712 -6.807 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 -0.787 -13.439 -0.799 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 -6.437 5.064 -4.600 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 1.052 8.601 3.672 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 -18.008 -3.349 -10.741 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 -2.518 -4.066 4.879 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 -1.651 33.568 9.818 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 8.732 10.251 23.168 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 -2.627 3.882 0.113 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 -16.091 6.256 -14.708 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 -25.138 16.887 12.810 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 0.902 -1.123 -7.154 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 -2.044 4.884 6.458 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 4.119 20.378 -2.968 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 -3.694 1.579 -2.676 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 -6.659 7.203 -12.221 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 -1.467 -8.331 3.335 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 2.481 -3.404 0.095 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 -5.892 -0.013 1.755 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 -13.913 6.681 4.076 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 -2.471 -2.637 -2.353 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 6.899 3.766 -5.361 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 6.202 -10.768 1.361 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 0.262 -5.733 -2.909 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 -15.883 -5.352 8.733 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 17.426 -10.823 4.894 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 2.689 0.544 -7.344 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 -7.185 -12.256 -12.561 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 17.102 -1.705 -17.527 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 -4.751 10.728 1.905 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 3.172 3.175 -2.319 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 -6.064 0.310 -6.131 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 1.116 -2.576 2.291 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 -6.779 2.099 34.993 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 -3.222 -8.842 -8.794 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 -5.454 -1.521 0.772 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 5.491 -6.764 7.204 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 -7.855 -1.876 0.764 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 -0.251 -5.852 -2.139 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 -2.539 5.121 0.996 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 7.001 -10.040 -6.731 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 -5.773 3.185 1.755 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 -0.863 -2.058 5.241 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 1.452 1.752 17.357 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 7.024 -0.959 0.804 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 5.296 1.322 11.111 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 20.107 -4.291 -6.333 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 -0.913 5.040 -0.882 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 4.018 0.167 -0.741 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 7.804 -0.416 10.325 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 5.784 3.299 -2.440 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 10.362 13.360 -4.909 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 -1.619 -19.263 3.487 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 -3.034 -0.140 -0.475 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 0.861 -11.037 3.130 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 -4.925 -4.249 6.923 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 1.368 0.037 -2.869 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 -10.058 7.233 0.919 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 -6.607 13.403 4.745 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 1.359 1.029 -7.687 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 12.301 -7.244 6.436 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 -14.145 4.450 -2.047 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 0.349 -2.072 3.041 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 15.956 -10.227 4.586 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 1.041 -11.882 11.011 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 2.603 2.219 -4.314 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 5.576 2.173 3.461 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 -16.422 -9.184 9.727 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 -2.756 0.028 -2.364 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 -3.320 8.746 24.988 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 12.804 13.704 -0.212 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 -0.137 1.145 -1.215 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 -17.730 -4.896 -15.822 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 2.030 1.452 -0.194 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 0.812 -1.917 2.761 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 -11.053 -19.681 14.020 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 -32.445 -17.358 -3.526 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 -0.030 -6.474 -1.302 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 -6.407 9.494 4.728 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 -15.915 -13.429 -4.483 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 3.231 -5.218 -2.200 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 5.012 0.294 -8.088 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 -4.120 0.343 15.041 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 2.661 5.426 -7.806 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 -2.937 -8.159 3.616 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 21.334 1.851 -12.163 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 4.141 -3.157 2.705 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 5.557 -0.878 -4.745 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 2.518 4.994 -18.783 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 2.134 -2.990 6.766 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 -21.782 10.214 18.441 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 11.815 10.288 -5.354 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 3.183 1.246 3.921 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 5.697 -3.424 -0.338 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 13.633 -8.799 -9.826 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 1.576 -1.071 0.054 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 -2.616 -7.334 3.494 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 -5.947 -13.012 4.093 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 -2.963 4.208 1.461 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 15.548 -5.081 5.973 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 7.321 -4.512 6.442 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 -2.732 4.212 -1.536 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 4.741 5.437 10.426 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 19.514 10.245 18.293 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 7.297 -7.528 -0.011 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 -0.486 -14.182 -1.227 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 -19.141 8.724 6.992 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 -3.093 -9.703 -1.856 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 -5.364 -15.636 -1.278 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 1.865 5.644 12.254 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 2.709 -3.357 2.312 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 -9.712 -24.688 5.296 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 18.239 20.705 -0.600 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 -3.442 2.500 -3.135 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 0.070 1.942 -3.976 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 -0.575 1.450 -4.446 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 0.225 -2.994 -3.252 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 -3.181 -3.436 4.213 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 -3.346 -2.666 5.968 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 6.344 2.149 -4.189 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 -1.916 4.821 -3.059 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 35.225 -3.686 -2.004 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 -1.142 1.674 -1.199 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 -8.004 0.261 3.544 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 1.670 -1.011 -7.156 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 -2.818 -1.693 1.038 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 -11.205 -15.136 -9.508 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 -16.406 -20.128 -10.263 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 -3.378 -2.665 -2.509 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 2.664 4.570 5.025 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 -7.965 12.853 -10.415 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 0.462 -3.929 4.393 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 26.325 38.815 0.403 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 -30.523 6.723 -4.303 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 1.617 -1.154 0.335 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 -11.668 -2.739 3.410 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 12.722 -12.493 -5.764 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 -7.839 3.811 5.160 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 -23.350 12.741 -6.809 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 -33.322 7.930 16.683 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 -0.384 -2.251 -3.038 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 -12.945 -13.116 -9.202 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 -2.532 -7.196 -6.969 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 1.514 -1.081 0.861 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 -2.919 9.236 20.360 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 -11.290 12.385 4.551 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 7.358 1.489 1.358 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 6.452 11.768 -7.221 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 7.369 3.340 -2.220 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 -2.253 -2.784 -0.941 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 -9.432 7.708 -4.797 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 -2.790 7.581 2.059 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 3.428 -2.884 -3.222 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 -4.937 13.405 -8.016 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 5.709 -6.380 -1.720 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 -2.857 1.614 5.729 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 -10.710 -0.503 7.176 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 0.923 11.913 9.449 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 1.773 0.895 -2.403 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 3.420 12.888 -2.120 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 9.973 -9.145 7.641 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 0.372 0.599 3.218 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 4.034 -4.309 10.199 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 -14.286 23.494 -20.664 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 4.083 -1.940 -0.225 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 -8.567 -11.774 2.796 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 -27.287 -15.679 4.213 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 -3.696 2.316 9.744 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 -1.955 2.953 14.347 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 -8.536 -9.268 10.720 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 -1.903 1.908 3.392 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 -0.991 -7.195 -1.022 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 2.900 7.035 -1.301 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 0.549 2.814 0.903 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 -3.258 -4.797 -0.978 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 4.872 1.773 -1.188 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 -12.291 -2.081 2.822 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 -3.172 10.769 14.938 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 -13.319 0.432 3.824 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 1.560 3.490 3.949 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 1.605 3.654 -1.656 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 -0.055 8.654 -6.646 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 0.820 1.265 1.899 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 -2.890 10.594 -11.494 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 1.686 -0.513 13.902 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 -2.438 1.777 -4.403 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 6.775 -10.119 19.579 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 9.808 -16.656 12.768 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 -1.405 3.575 0.299 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 -4.835 3.027 -10.631 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 -24.318 -0.998 -10.316 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 -2.573 8.094 3.238 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 -6.849 12.627 5.798 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 -13.575 21.672 8.087 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 7.360 4.171 -0.024 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 -3.387 15.678 7.536 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 5.632 10.952 3.126 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 -4.821 2.275 4.189 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 -7.915 -3.136 -8.008 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 6.593 -7.144 7.054 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 -0.821 0.128 -1.371 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 -18.816 3.214 1.328 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 3.730 11.310 -12.826 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 1.265 2.301 10.062 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 -16.418 11.763 13.479 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 -10.214 8.847 13.790 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 -0.822 -3.130 -4.714 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 4.224 -11.439 -10.288 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 -3.237 -6.004 13.649 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 -1.078 3.447 0.607 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 -27.091 2.954 5.265 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 -14.189 0.902 -8.498 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 6.505 0.627 1.214 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 1.782 -0.034 -22.040 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 13.645 14.097 -5.026 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 2.242 1.114 -0.787 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 -2.442 5.782 -6.162 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 14.389 -7.355 8.736 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 1.529 3.189 1.747 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 -15.175 4.952 -28.000 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 27.699 -17.266 -4.426 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 1.061 -2.246 -1.720 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 -0.339 -2.378 15.566 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 18.565 10.637 3.330 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 0.920 -3.548 0.894 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 -5.570 -1.713 -6.244 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 -11.748 -2.456 1.679 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 -0.439 4.790 -7.438 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 21.820 18.835 -21.400 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 -1.422 2.535 -7.846 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 -0.611 1.856 0.143 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 0.169 3.452 1.486 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 -1.383 2.195 -1.719 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 -4.495 4.505 5.124 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 -5.390 -9.437 -21.318 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 13.099 -9.782 8.080 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 -3.047 -2.438 3.171 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 -24.917 -8.641 11.421 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 11.432 -4.786 -9.807 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 -4.612 -1.804 -7.348 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 -2.750 1.470 -7.632 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 -10.489 -0.829 -13.363 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 1.922 3.426 1.727 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 -4.679 -15.834 2.963 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 4.462 15.889 -5.793 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 -0.503 0.487 -2.207 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 3.786 -20.084 4.626 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 8.218 13.204 14.282 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 3.371 -3.860 -2.760 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 11.732 -9.683 -18.257 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 1.022 -3.044 1.425 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 1.146 -3.537 -2.830 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 3.382 3.403 3.513 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 8.578 4.951 -2.907 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 -2.994 7.774 -3.278 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 26.359 4.528 -2.723 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 -24.050 8.542 -6.258 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 9.663 -0.453 -1.890 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 0.215 14.748 8.787 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 16.569 -11.809 -9.466 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 -1.584 -0.315 7.280 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 14.093 -12.525 25.721 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 -10.052 -3.429 -15.159 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 6.234 2.623 0.830 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 -10.740 -8.327 -8.059 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 -4.723 4.982 0.280 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 1.481 -3.407 0.174 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 3.920 18.153 5.829 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 -9.518 2.999 -6.962 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 1.331 3.460 -4.084 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 -1.735 8.052 -17.455 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 11.664 -9.028 -30.178 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 -4.888 4.795 -3.738 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 19.367 0.014 -1.716 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 -15.069 -17.564 -0.459 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 0.306 0.632 -1.808 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 1.569 3.980 -13.137 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 6.874 9.697 22.579 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 -0.310 2.450 1.685 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 7.582 3.205 2.272 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 -5.957 10.625 -1.954 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 3.583 -3.124 -1.452 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 5.120 3.003 -13.398 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 11.405 -5.737 10.885 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 -4.757 4.220 2.717 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 -5.568 6.124 3.817 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 -2.379 5.667 11.355 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 0.222 1.878 3.005 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 6.374 0.110 8.558 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 -3.389 6.093 -7.896 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 -0.049 -4.495 -3.367 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 2.676 -1.343 -0.737 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 3.005 17.073 0.925 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 1.252 -4.507 -5.645 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 -19.007 2.867 -1.089 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 1.663 -14.624 -16.109 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 7.245 -6.205 -0.317 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 4.446 -7.097 2.650 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 9.549 -6.374 -3.348 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 0.360 0.118 -0.398 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 1.984 11.888 -4.831 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 -1.862 5.698 -11.943 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 5.025 -5.934 -9.016 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 -9.109 -0.292 15.437 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 -0.162 -1.496 25.379 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 3.868 5.199 0.834 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 -0.487 15.588 4.488 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 8.982 -26.356 -8.197 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 4.457 -0.696 1.484 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 21.526 24.504 -6.973 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 -10.148 -17.705 1.044 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 -1.875 2.755 -1.154 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 -0.218 -9.867 -1.503 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 -7.037 29.552 6.226 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 -0.327 -0.181 -0.009 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 -12.144 -0.555 -3.426 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 -1.248 -1.725 -1.595 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 5.024 4.008 4.213 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 -2.038 -12.281 8.689 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 -12.577 -10.966 5.245 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 1.902 -3.581 -4.542 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 14.665 -5.685 0.765 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 10.029 -16.309 13.963 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 -3.615 -6.968 -3.557 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 -13.424 5.907 11.193 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 -7.802 3.821 2.733 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 0.583 0.584 3.161 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 0.624 -4.457 -10.819 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 -12.307 8.964 4.809 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 1.409 -11.438 -6.036 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 -20.416 4.187 -4.711 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 -3.382 -12.858 -10.762 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 -3.159 -0.722 -0.909 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 5.262 -4.483 2.181 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 -12.648 3.138 -2.928 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 -3.832 -1.420 0.204 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 3.222 9.874 13.178 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 -19.992 -18.391 -13.316 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 -1.858 -1.820 -2.665 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 -13.069 22.819 -0.324 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 -10.435 -19.159 -2.946 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 0.652 -2.449 3.921 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 -8.242 7.384 -31.971 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 18.497 -3.689 0.532 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 -1.667 2.641 5.105 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 -21.418 -24.745 1.131 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 7.641 15.766 -11.513 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 6.431 -9.949 -3.220 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 -6.100 7.632 4.349 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 3.036 -3.858 0.937 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 0.847 2.002 0.197 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 -6.793 27.499 -17.421 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 -4.522 -7.145 9.002 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 2.989 -3.649 -0.774 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 0.392 -22.981 -31.449 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 5.254 -0.272 20.580 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 5.294 3.774 -4.208 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 18.042 -6.562 -7.722 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 31.887 -16.668 -10.063 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 -0.695 1.108 -2.136 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 17.252 -15.370 22.650 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 20.669 1.663 11.269 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 -0.887 2.014 2.201 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 -19.069 -5.426 -9.598 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 3.871 4.087 4.761 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 -2.811 5.809 -0.247 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 -12.806 8.215 -18.525 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 6.721 3.592 -7.769 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 5.037 -3.057 -7.003 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 11.636 -0.101 -8.712 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 0.743 -0.617 -7.182 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 -0.733 -2.048 -4.125 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 0.184 -13.439 -20.894 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 -3.942 -4.865 6.070 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 -0.254 -1.774 1.013 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 5.417 -11.172 -4.979 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 0.883 7.437 6.159 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 2.699 3.507 0.455 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 9.527 -5.667 14.182 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 33.451 7.677 -14.490 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 1.777 4.046 9.252 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 1.105 2.401 -4.112 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 9.658 -2.877 1.825 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 -0.794 -8.687 2.287 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 -1.216 0.862 -4.892 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 -4.033 -4.703 -2.086 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 -0.377 4.288 -6.147 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 5.150 7.727 -12.882 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 -8.295 -5.817 1.649 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 -0.862 10.287 2.235 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 20.863 -12.410 3.032 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 1.586 0.231 -14.253 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 -1.145 -0.972 2.844 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 -2.199 -11.352 -7.546 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 14.763 -3.254 9.056 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 -4.795 -0.764 -3.654 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 -4.070 -0.806 -6.311 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 -2.448 -2.090 -2.746 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 4.390 -0.598 -2.173 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 -15.376 5.140 2.832 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 15.113 16.568 -6.679 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 7.512 7.551 8.646 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 28.438 5.606 6.969 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 5.235 0.604 4.350 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 4.459 -4.397 0.040 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 9.734 -8.118 -1.766 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 -3.332 -0.155 -6.134 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 -1.166 -3.566 1.755 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 11.582 4.946 14.881 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 2.164 -6.086 7.502 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 1.257 -4.302 -3.119 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 3.508 -3.217 -3.809 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 9.323 -0.850 -6.857 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 -3.258 -2.527 1.219 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 -5.821 -2.707 -3.020 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 -12.342 -6.328 -9.502 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 -2.806 -0.184 2.758 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 8.887 0.311 -5.760 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 -1.824 -7.591 -6.575 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 6.354 3.818 0.278 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 12.013 16.767 5.162 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 -1.934 -2.245 11.418 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 4.044 0.609 2.215 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 -3.734 0.045 19.785 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 15.068 3.139 -28.350 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 4.191 5.178 3.087 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 1.118 -1.985 -5.678 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 -3.063 9.249 6.533 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 5.954 2.271 -5.430 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 9.365 -8.721 5.311 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 17.338 -15.963 10.820 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 1.459 -1.449 -2.820 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 -0.284 13.148 12.702 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 -12.593 2.691 -18.195 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 2.197 0.899 -0.918 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 2.525 18.340 -2.479 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 -2.415 15.437 -22.081 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 -0.448 1.467 -3.904 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 1.706 -4.426 -5.584 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 -4.383 -2.739 -12.062 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 -3.815 -0.583 -3.798 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 -31.657 5.674 -11.831 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 -14.275 -0.846 -6.112 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 -2.099 -1.316 2.992 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 -0.046 -14.059 -1.339 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 3.654 14.950 7.049 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 -8.325 -2.581 3.466 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 -4.974 9.249 -14.207 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 -9.632 -18.481 2.509 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 -4.589 -0.977 -0.024 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 26.294 -6.341 5.572 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 2.676 -4.890 -1.585 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 -6.998 -3.755 -9.850 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 -15.997 11.869 -0.179 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 -10.392 -0.499 -6.632 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 -0.174 5.230 4.052 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 -8.155 7.848 0.832 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 -2.078 8.383 29.639 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 0.551 2.890 3.893 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 -1.670 -9.392 10.551 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 16.313 11.225 5.685 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 1.429 7.158 2.620 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 -3.513 7.452 -4.403 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 -6.483 -3.775 7.092 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 6.726 -7.349 0.307 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 32.849 2.689 8.373 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 6.829 -8.985 19.780 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 4.706 -0.122 2.363 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 5.784 3.379 -0.010 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 5.729 -8.335 27.170 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 -1.207 1.161 4.258 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 -19.695 -25.453 4.291 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 19.188 -17.777 -15.933 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 -2.209 6.213 -0.869 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 -3.034 48.013 16.443 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 -15.737 16.469 -3.179 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 1.955 3.895 -3.065 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 0.078 2.481 -13.333 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 -5.132 0.534 3.587 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 6.552 3.889 -3.193 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 13.111 6.983 1.632 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 2.581 10.483 -4.559 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 -0.036 -1.872 -1.776 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 3.977 1.064 -1.740 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 0.169 -1.635 -2.079 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 -7.019 2.141 -0.676 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 -11.046 4.856 -6.274 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 -31.730 -7.715 10.725 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 -1.004 -10.625 1.487 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 -12.179 0.805 -6.589 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 -10.710 -0.615 20.868 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 -4.413 0.074 1.785 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 -8.112 -14.910 -5.895 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 8.716 8.519 -6.500 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 0.798 -1.130 0.228 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 4.368 -12.163 11.993 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 -15.048 -10.008 -0.324 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 -4.917 -0.110 -4.768 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 7.511 7.061 -15.263 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 -2.980 0.623 -5.521 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 -4.103 1.064 -5.336 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 8.942 7.781 10.070 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 10.241 -5.882 -14.778 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 0.449 2.987 -1.736 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 -3.215 15.877 1.267 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 -7.163 5.379 3.731 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 -1.350 -2.648 -0.981 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 -4.050 -5.359 -3.855 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 -3.220 -0.705 -1.564 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 -4.261 -2.558 4.374 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 -5.734 -16.742 -11.777 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 -8.365 -13.138 -10.802 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 -6.182 -0.586 -3.795 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 -16.625 -30.232 -11.193 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 -16.400 -7.403 -21.763 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 -2.726 -1.797 2.147 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 11.835 11.959 -14.516 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 -16.901 18.436 4.419 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 3.400 -0.786 -1.541 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 -11.384 -1.277 5.191 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 -18.018 -2.643 4.054 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 0.364 5.068 -6.394 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 22.370 28.558 12.370 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 -2.756 1.603 6.352 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 0.169 4.751 -1.825 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 -5.079 -3.629 -6.292 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 -6.380 12.234 -9.271 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 -0.641 -2.419 1.683 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 0.037 -4.399 0.246 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 -4.119 12.336 3.988 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 3.470 0.686 2.725 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 3.526 19.299 6.591 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 -9.055 -5.986 -6.024 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 2.607 0.667 3.690 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 -2.303 4.280 -21.838 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 -0.168 -3.946 8.439 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 -10.791 3.122 2.151 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 -24.521 -23.028 5.884 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 -13.485 0.647 3.337 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 -1.883 0.511 1.748 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 11.572 -9.443 19.122 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 8.441 -3.421 -4.493 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 -3.655 -0.283 -1.713 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 8.871 -3.004 -1.263 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 6.941 18.445 17.248 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 0.818 0.541 4.978 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 -6.265 -6.477 9.393 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 6.733 0.875 -4.155 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 -7.567 -0.658 -7.384 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 -12.401 17.003 -7.811 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 -21.799 -11.519 -17.596 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 5.280 -2.727 1.402 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 -15.896 17.799 -23.397 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 7.252 9.526 11.410 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 -0.668 -3.069 6.371 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 11.759 4.133 -4.577 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 -12.588 -6.854 16.294 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 -10.069 1.662 4.440 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 -1.931 4.557 -1.726 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 -16.519 1.349 8.043 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 5.926 5.055 -3.358 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 7.674 27.197 15.816 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 15.884 -13.765 12.871 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 -2.130 -0.059 3.916 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 9.820 -20.760 -14.244 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 -11.154 1.587 32.013 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 -4.427 0.997 -2.301 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 -14.681 3.111 -4.406 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 -7.337 10.606 -14.227 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 -4.667 -2.854 0.718 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 -9.572 -4.004 -1.427 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 9.346 -3.412 -3.058 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 -0.441 0.983 2.940 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 0.487 5.636 -2.565 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 -7.935 1.736 5.449 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 -0.090 -0.276 0.354 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 1.760 0.309 -10.956 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 -6.024 -0.242 -1.917 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 3.160 -2.248 -0.465 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 0.410 -4.943 -4.093 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 15.855 -17.227 11.333 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 -6.404 0.447 -1.059 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 -12.063 3.164 -3.483 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 -5.605 -5.239 -1.935 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 -5.815 -4.495 0.999 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 -4.690 17.307 14.366 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 -14.443 -2.263 4.798 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 0.212 0.009 3.668 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 -0.086 4.302 -1.567 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 0.173 -14.407 20.470 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 0.386 -2.909 6.045 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 3.179 4.064 7.875 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 -15.417 3.901 5.087 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 -0.713 -6.751 7.391 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 7.222 5.348 19.202 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 4.542 1.478 23.386 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 -3.316 -2.243 0.248 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 15.000 -4.323 -6.724 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 -21.122 3.489 12.686 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 1.115 -7.698 -8.085 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 7.894 0.334 -13.820 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 -5.317 -1.274 7.402 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 2.209 -1.570 -2.476 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 -15.570 3.631 14.303 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 2.455 -5.036 1.694 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 -6.763 2.242 1.199 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 -17.764 3.994 -21.050 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 -5.466 -3.802 -5.769 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 -3.705 2.410 -1.110 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 8.070 0.042 23.752 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 -0.901 9.975 14.930 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 -5.534 1.882 3.416 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 -10.830 3.013 6.810 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 -31.454 5.275 18.057 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 2.865 -3.857 -2.044 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 -18.346 -2.707 -11.272 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 11.248 -3.149 -19.609 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 -2.036 -0.677 -1.525 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 -13.993 -3.281 6.329 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 -3.159 21.433 4.593 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 0.632 2.338 -5.300 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 11.184 6.534 -3.045 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 -4.577 -8.620 -1.951 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 6.078 -1.825 -2.449 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 12.938 1.251 -2.985 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 7.446 -2.539 0.585 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 -4.666 1.333 2.749 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 -6.586 2.900 3.144 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 -4.214 17.283 4.426 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 1.706 0.667 7.560 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 2.710 23.334 14.424 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 9.284 -4.606 10.588 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 0.955 4.095 -4.019 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 -20.302 -21.409 0.822 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 1.467 1.595 -7.934 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 3.272 2.090 0.117 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 -1.397 -15.997 25.573 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 -3.879 1.141 -9.544 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 -4.283 -1.786 5.452 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 0.501 11.640 1.284 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 -1.266 4.454 6.240 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 -1.930 1.278 -0.561 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 -2.584 0.963 2.442 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 -7.133 9.500 9.376 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 5.285 -0.681 -0.101 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 17.420 2.204 -15.429 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 -12.132 -8.105 12.244 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 -0.970 -3.638 0.562 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 11.458 4.535 -17.840 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 8.420 -0.500 -15.532 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 1.091 9.192 1.063 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 -33.895 -3.316 3.738 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 -2.869 -9.582 3.762 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 1.585 3.360 6.730 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 -6.259 -0.851 -0.198 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 1.113 7.698 6.488 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 2.435 0.713 -1.002 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 -5.010 -2.127 10.961 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 -3.377 -8.185 -11.837 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 -3.919 1.579 5.203 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 -19.389 13.720 5.520 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 -0.363 7.627 -9.876 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 -2.977 0.286 4.468 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 -11.896 3.876 -4.017 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 5.058 -1.420 -6.677 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 -5.999 -1.600 4.452 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 -4.854 8.120 12.511 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 4.930 -4.309 1.139 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 4.834 -1.414 -6.574 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 1.886 6.986 -7.149 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 -2.675 -8.170 -10.784 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 1.277 -1.083 -3.546 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 -0.009 -5.986 -1.743 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 -4.046 4.673 1.941 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 -2.629 7.609 5.553 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 14.801 -6.784 5.557 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 11.519 10.290 0.196 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 8.143 -0.007 2.430 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 20.198 0.398 4.923 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 10.931 11.265 9.513 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 2.104 -0.634 1.292 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 6.357 -9.527 -5.302 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 6.375 -10.958 -4.018 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 1.377 -1.655 1.701 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 10.506 16.520 -24.105 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 -3.445 -3.315 -13.136 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 0.799 -0.603 3.399 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 2.369 0.564 2.644 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 0.283 15.583 8.148 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 3.438 -4.429 1.782 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 24.101 7.461 26.250 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 -10.826 0.471 -0.929 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 -4.423 -2.923 6.402 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 -5.564 -4.068 3.334 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 -0.377 -21.595 3.168 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 -3.653 -0.260 3.115 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 5.284 26.511 -16.143 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 2.200 -10.433 2.306 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 3.526 -2.919 6.289 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 2.483 -2.368 6.623 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 21.703 -6.225 9.126 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 -6.644 0.145 2.220 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 1.523 13.732 -3.476 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 3.332 8.583 1.356 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 -3.705 -1.513 2.502 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 -14.631 -15.776 -10.723 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 7.980 -10.904 16.003 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 -2.691 -10.228 -0.967 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 8.233 -25.662 4.412 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 -4.232 -18.684 -9.657 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 -1.147 -1.155 -1.200 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 -1.919 9.381 3.260 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 4.163 -6.752 -2.688 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 -2.010 5.428 2.258 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 -8.300 3.147 7.637 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 2.679 10.336 0.495 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 -1.408 -1.307 -0.827 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 18.121 -17.757 -8.703 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 -10.189 -3.533 -2.107 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 -6.909 5.517 -3.390 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 -9.184 15.429 2.815 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 -2.406 18.570 -11.441 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 -0.277 0.022 -2.785 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 -1.284 -4.870 -4.969 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 -34.319 14.116 -4.881 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 0.290 -3.683 1.020 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 -0.839 -3.874 -8.041 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 -1.274 -3.919 -10.767 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 2.504 -0.350 0.268 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 5.329 -1.215 12.829 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 2.418 1.280 -4.385 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 -2.860 1.259 -5.796 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 -23.376 10.586 -7.218 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 1.694 9.978 -10.273 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 1.018 -0.579 4.484 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 3.785 -4.385 12.987 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 5.905 9.967 -13.352 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 1.552 6.689 -0.604 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 8.640 0.931 0.666 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 2.712 -13.451 17.363 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 4.034 -0.108 -0.657 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 -0.595 -10.259 -24.428 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 1.792 -14.948 1.049 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 5.391 7.401 -4.422 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 9.440 7.203 -13.980 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 1.446 12.530 10.494 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 -0.596 -2.403 -2.103 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 -0.454 -4.843 -1.679 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 -3.405 5.278 -3.542 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 -2.682 4.076 -2.090 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 -3.336 3.463 -2.284 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 -8.807 7.921 -20.058 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 -0.493 -1.920 -3.467 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 -5.539 -24.415 -7.400 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 -12.288 -8.498 17.270 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 0.369 1.061 -0.768 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 0.817 -1.800 -8.301 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 -6.948 4.437 -2.880 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 -0.075 2.254 -1.528 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 27.082 -33.609 1.933 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 -12.431 17.583 -4.430 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 7.161 11.044 -1.707 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 -6.145 3.366 -17.443 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 -1.678 4.398 -6.133 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 -0.690 -0.263 6.651 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 -5.287 7.117 4.657 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 4.710 -3.628 11.613 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 0.770 -4.062 -1.426 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 6.765 9.918 0.474 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 -20.435 -5.980 -11.050 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 0.233 -0.846 2.268 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 9.439 7.720 14.133 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 14.941 5.250 12.062 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 -0.193 -3.419 0.388 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 -17.218 -5.947 -4.738 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 3.846 5.495 -14.970 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 1.086 2.002 -2.108 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 2.212 8.044 -12.418 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 25.210 -12.703 -22.268 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 -3.690 -0.956 -7.155 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 19.494 -0.053 -0.769 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 -16.736 -18.660 5.208 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 -0.816 -0.163 1.231 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 -19.246 -9.870 14.765 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 -11.363 -8.317 -19.263 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 -2.915 -3.092 0.027 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 9.220 -11.176 -11.077 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 -7.399 12.046 -7.763 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 2.663 1.027 -5.139 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 7.507 7.561 -10.395 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 -7.704 2.189 -9.012 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 -1.208 -6.258 -8.199 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -12.307 -2.789 -5.720 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 -20.264 -2.786 -14.638 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 -8.386 3.893 1.795 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 -8.939 15.541 -8.917 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 1.102 9.477 11.487 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 -8.634 2.042 -1.733 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 2.305 -3.439 9.681 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 16.951 8.834 12.483 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 6.360 -0.214 -4.983 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 9.459 -2.769 -8.753 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 8.021 5.232 -5.162 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 0.158 3.534 -3.189 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 -17.246 17.064 21.087 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 -7.701 1.105 15.942 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 0.960 -1.629 1.747 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 -5.036 -1.650 -3.561 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 -33.052 -19.679 -31.337 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 -0.681 0.987 0.550 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 3.350 6.815 1.520 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 -4.852 -13.010 -11.842 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 -2.143 -2.245 -4.587 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 -26.174 22.884 14.135 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 7.012 11.315 7.076 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 -4.256 4.447 1.713 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 -0.170 1.184 -2.084 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 5.603 -4.921 -2.651 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 0.632 -4.440 -1.990 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 5.260 -7.151 -12.558 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 1.577 -3.833 -0.299 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 6.653 1.809 4.443 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 4.066 10.969 -6.979 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 23.904 1.328 16.166 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 2.808 -5.436 3.030 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 0.190 11.563 8.396 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 4.798 16.046 19.338 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 -3.616 -2.650 2.884 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 0.857 4.622 -4.391 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 12.147 8.066 11.881 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 -1.317 5.850 -2.477 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 -14.111 5.071 -2.620 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 0.823 11.899 13.018 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 -0.290 2.262 1.202 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 12.912 8.581 -36.621 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 -13.439 -9.443 -9.101 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 -2.734 -1.507 -2.372 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 4.858 -2.368 9.814 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 4.372 9.556 -11.727 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 5.130 0.111 3.453 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 2.117 7.905 -15.056 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 2.077 2.248 -6.189 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 -4.618 2.106 0.730 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 6.296 1.106 10.591 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 -13.296 20.818 9.584 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 9.867 -5.820 -6.927 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 17.995 17.190 -15.736 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 -10.161 15.008 -1.225 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 4.139 -3.258 0.115 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 5.036 -13.796 36.256 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 24.841 16.837 6.426 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 -3.314 -0.820 4.071 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 -17.891 -5.165 19.892 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 -10.300 22.124 11.624 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 5.760 1.307 -2.902 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 20.259 -3.472 1.517 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 8.168 -8.120 -5.320 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 -9.582 -0.187 -6.918 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 -3.316 -5.395 1.989 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 7.741 17.232 -21.630 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 -0.433 0.607 0.106 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 12.265 7.690 -3.041 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 -20.406 -22.371 5.027 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 -7.494 -0.224 -2.523 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 -12.853 11.300 -21.091 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 -10.231 -0.658 -10.413 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 1.886 0.090 2.358 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 8.861 -8.934 -14.094 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 -1.103 10.065 13.466 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 -2.057 5.585 -0.215 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 -1.166 6.191 -10.379 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 -1.836 3.621 -7.146 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 -5.826 14.888 -5.822 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 20.285 -25.684 -16.958 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 9.258 -14.294 -25.063 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 6.689 1.702 0.080 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 14.735 22.403 16.798 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 -21.892 1.115 6.426 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 -3.153 -6.393 0.841 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 3.340 3.591 13.930 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 -11.745 -6.635 -7.785 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 -0.738 0.664 0.793 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 -3.779 -13.697 1.843 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 -0.821 -12.120 -9.023 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 -1.704 -1.248 5.584 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 9.110 6.023 6.240 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 -7.235 -5.854 5.983 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 -5.809 -0.678 5.011 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 -0.032 -10.841 5.671 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 16.975 -19.941 8.676 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 -2.912 0.968 -13.688 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 -6.456 10.539 -13.032 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 -12.883 -5.265 -17.725 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 -1.791 1.115 9.186 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 -13.606 -10.850 -7.184 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 2.672 6.609 1.531 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 -3.390 -0.370 -0.254 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 10.538 -0.430 -1.768 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 -1.921 -20.263 7.600 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 0.005 3.133 1.326 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 4.645 13.954 1.274 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 9.714 -3.931 0.615 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 -0.997 -3.919 3.077 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 -11.076 -11.232 21.717 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 6.670 13.586 -5.215 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 3.062 -6.673 -7.097 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 -19.588 -23.935 -4.123 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 -6.489 -12.510 -12.633 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 -0.119 1.612 5.047 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 -0.248 -1.693 1.873 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 7.856 7.861 1.109 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 -5.219 0.456 -2.266 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 -8.924 12.402 -10.376 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 -6.074 -8.427 8.817 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 2.682 4.138 3.649 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 -21.683 -1.761 4.722 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 10.364 24.915 3.213 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 5.385 7.131 -4.655 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 -5.694 13.867 -6.903 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 7.543 24.701 -2.651 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 -1.333 0.263 -1.175 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 -29.634 5.487 -9.949 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 -16.962 -10.845 -27.861 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 5.100 -2.095 2.161 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 5.924 -9.322 0.382 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 7.662 17.626 12.933 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 6.088 -1.704 1.024 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 10.012 -6.319 -7.617 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 11.970 -34.733 -12.142 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 -4.389 -1.556 3.693 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 -9.113 4.263 4.323 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 6.865 -18.562 9.989 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 -1.653 -6.209 0.640 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 -10.964 -16.637 16.801 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 -4.904 -1.093 18.493 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 -0.661 -1.442 0.369 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 2.693 -29.172 4.589 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 8.770 -15.377 -5.153 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 -4.235 3.429 -2.353 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 -1.953 0.560 11.881 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 -18.611 0.464 8.211 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 -1.994 -2.832 1.527 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 -9.324 20.565 -7.196 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 3.841 -4.473 -13.764 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 -4.093 -3.552 0.155 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 0.464 -4.685 2.082 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 5.708 -4.103 6.640 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 -2.844 2.668 -6.067 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 0.161 -10.722 5.890 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 -0.809 7.572 -10.022 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 -0.955 0.001 7.444 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 -0.626 -19.486 -0.644 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 20.425 5.340 11.041 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 -1.525 4.211 -0.800 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 -10.914 8.685 10.146 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 4.335 -3.360 9.345 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 -0.459 -0.169 2.106 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 1.600 -3.371 7.402 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 11.813 -5.607 13.136 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 4.589 -2.101 3.890 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 1.441 -4.379 -1.552 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 -6.008 -3.335 -21.256 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 -0.420 -1.663 6.949 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 13.746 9.685 -4.678 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 5.279 -6.603 -13.198 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 -4.584 -6.009 4.580 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 -31.040 -5.050 -11.468 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 13.935 -16.820 3.097 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 -1.615 -2.025 -4.530 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 5.631 2.026 -5.501 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 1.112 32.880 12.122 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 0.444 -6.748 0.400 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 11.405 4.669 5.698 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 -2.895 -3.109 2.138 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 -0.508 2.168 -2.799 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 8.791 3.393 -10.370 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 4.582 0.118 8.341 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 0.452 3.565 -1.908 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 2.281 -7.355 -0.143 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 -12.976 8.232 2.765 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 1.958 -1.390 2.005 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 -5.296 5.854 -0.795 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 5.490 -2.716 -7.777 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 -1.175 0.262 0.565 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 -5.676 18.346 -33.559 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 1.585 9.321 -3.478 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 -4.205 0.269 4.633 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 -1.752 3.509 -3.244 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 0.592 1.269 -20.253 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 1.587 3.309 2.744 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 -9.749 -17.660 -17.000 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 47.751 -4.555 -15.078 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 -5.377 1.891 -2.989 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 -0.630 -0.565 -0.952 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 -5.593 2.953 -6.353 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 0.928 -1.308 3.423 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 2.276 7.414 2.371 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 -1.879 -7.672 6.998 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 5.185 -6.544 -2.466 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 -13.161 12.847 -9.632 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 -13.810 -30.269 -1.886 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 0.178 6.540 0.628 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 -12.554 -12.442 -7.154 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 28.160 -0.855 -0.703 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 -8.307 2.232 7.148 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 -13.414 11.387 -11.795 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 7.580 -3.924 18.047 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 -6.270 0.430 -2.214 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 -4.944 -2.950 3.960 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 4.406 -16.651 -7.593 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 1.626 0.776 -4.656 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 -2.489 14.206 -3.957 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 -0.934 -0.601 -3.273 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 -4.700 4.521 -0.464 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 -3.444 13.944 -5.350 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 2.611 32.871 -4.793 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 3.713 -4.246 -0.297 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 -0.105 15.093 -4.256 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 13.558 -10.335 -13.178 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 -4.916 0.566 -6.779 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 -5.608 -3.611 11.580 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 -12.725 -10.916 -3.108 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 -3.139 -1.537 -2.417 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 -5.632 -7.448 1.207 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 -7.941 -4.059 0.609 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 3.364 0.339 0.440 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 1.018 -1.621 12.090 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 -17.112 3.171 -3.561 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 2.149 -1.481 -1.333 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 14.788 3.790 6.055 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 0.630 13.900 12.819 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 2.123 -1.632 -4.087 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 7.355 10.799 -6.518 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 11.239 -9.747 -8.393 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 7.617 2.309 0.737 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 23.675 -0.871 8.610 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 -7.804 9.576 11.778 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 9.087 3.764 1.260 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 10.336 18.506 2.021 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 -1.026 -3.585 10.874 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 7.068 -0.516 6.848 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 7.896 -0.472 6.721 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 -16.534 14.331 5.140 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 1.564 -2.892 -4.334 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 1.337 6.020 -18.974 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 -11.572 -14.356 -6.933 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 3.392 0.743 -3.932 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 -25.995 17.859 15.723 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 7.305 -2.333 -5.040 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 1.470 -3.695 5.401 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 -12.947 19.732 -8.665 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 -13.888 9.455 -29.034 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 4.630 3.011 4.793 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 16.734 2.182 3.578 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 -11.028 -1.305 4.886 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 -7.304 3.291 -2.321 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 6.921 12.366 27.574 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 -6.380 1.315 -15.543 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 -0.842 -3.521 -1.231 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 -1.515 3.053 -2.248 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 5.107 -2.201 -6.086 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 -4.232 1.885 4.330 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 -11.117 5.859 -1.978 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 -5.414 14.169 2.843 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 -2.110 0.262 6.700 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 -18.444 2.872 -1.267 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 20.082 -2.927 -3.629 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 -1.379 0.152 1.367 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 -4.526 42.786 -33.616 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 -16.900 -18.448 2.523 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 2.953 1.715 1.436 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 -3.712 -13.430 -14.008 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 0.809 -0.527 -6.622 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 -3.203 3.042 -2.117 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 18.927 2.049 -20.538 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 -2.873 -12.308 6.681 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 2.154 2.429 -0.588 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 -10.339 -16.509 -8.082 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 -21.612 5.159 -2.388 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 2.940 6.989 -2.507 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 3.520 2.883 7.461 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 9.394 -6.401 -8.270 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 10.585 -1.416 4.563 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 -4.889 -1.521 6.815 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 4.220 1.761 5.726 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 -0.281 -2.495 -4.158 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 -10.333 11.481 -3.682 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 5.275 -19.922 0.562 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 -8.316 0.161 -5.330 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 -4.600 -0.011 -1.856 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 -12.153 7.782 -12.174 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 -2.591 -4.538 0.583 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 -10.623 -15.464 4.536 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 -6.615 -9.472 -1.296 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 -8.839 2.898 1.073 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 -6.435 -8.103 -5.302 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 8.662 22.506 -9.156 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 -7.796 -2.020 4.898 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 2.299 -12.629 5.400 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 -14.380 -13.063 3.912 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 -0.787 -2.366 -0.533 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 -23.399 -8.863 -10.686 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 -5.363 -15.266 -12.979 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 1.389 -4.180 1.216 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 19.265 7.782 -10.292 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 20.121 -16.476 2.973 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 6.923 7.644 3.761 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 1.822 -11.036 0.705 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 4.744 -5.073 2.667 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 0.529 -2.281 -1.109 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 26.785 -23.574 -15.986 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 -20.638 7.402 7.513 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 1.031 3.470 -8.135 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 3.351 -7.015 -8.624 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 2.117 4.915 -5.944 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 5.665 7.898 1.737 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 5.826 15.545 3.511 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 0.870 -5.368 -4.489 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 -2.340 1.563 0.292 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 -15.206 1.490 -9.748 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 9.409 3.102 7.170 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 2.183 -3.825 -2.471 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 -16.915 -36.242 -0.333 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 41.379 0.560 25.790 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 -5.279 -5.671 -3.724 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 3.357 -1.343 -15.117 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 11.302 -10.120 20.140 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 -2.217 0.397 7.261 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 -18.176 20.416 -20.089 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 -11.894 0.021 12.220 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 -1.390 -3.115 2.093 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 -6.202 -5.541 -3.972 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 -0.825 -10.090 -4.721 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 -5.667 4.623 1.670 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 29.212 11.200 17.118 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 35.971 3.907 1.581 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 -2.852 2.599 4.602 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 -1.190 3.230 -2.100 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 1.842 6.394 -2.006 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 -2.330 1.809 1.792 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 -25.911 -12.600 6.803 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 13.673 0.568 -17.375 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 -2.774 1.007 -0.680 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 23.549 -5.261 14.558 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 12.944 -8.935 0.228 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 -2.560 -1.601 -1.243 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 22.337 -6.473 7.477 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 9.984 16.337 6.635 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 -1.444 4.654 3.011 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 1.131 15.726 2.042 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 -5.118 -7.075 3.229 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 5.403 4.331 -6.495 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 22.850 14.599 8.724 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 -9.004 -1.437 1.177 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 4.979 1.603 -4.739 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 14.096 -9.425 -1.153 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 12.844 -2.960 20.113 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 -1.355 1.090 -5.277 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 -16.433 -7.684 1.223 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 1.631 2.222 -12.324 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 -0.007 0.056 0.889 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 -1.121 7.556 19.766 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 3.439 -4.446 -4.398 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 -2.616 -0.721 -2.356 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 6.997 5.199 0.063 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 -10.342 5.251 -4.437 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 -3.858 -0.480 1.355 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 -11.334 -5.165 0.720 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 -5.510 -2.425 1.638 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 -0.259 1.272 0.847 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 8.482 -6.671 -7.844 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 -25.118 18.787 21.510 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 1.879 -4.038 -4.070 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 4.752 -13.885 -1.067 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 3.723 -6.458 0.959 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 -1.052 5.485 2.053 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 -34.734 11.820 5.273 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 -26.029 -0.009 31.068 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 -5.098 0.740 -1.970 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 5.875 17.872 12.454 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 18.901 9.128 -10.244 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 -4.027 3.559 1.757 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 -15.830 -18.742 -15.595 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 6.604 11.797 6.131 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 -2.028 -5.062 -0.975 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 24.647 -18.535 -5.888 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 -7.709 -2.041 -0.146 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 0.461 -2.766 7.781 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 5.341 -5.638 0.173 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 -13.853 -23.997 -17.139 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 4.811 1.036 -2.238 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 -9.943 0.100 -4.433 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 11.770 -14.467 -2.118 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 0.918 -2.878 -2.379 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 -2.806 -9.166 4.119 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 14.207 -0.429 -15.148 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 -4.256 -1.635 -0.420 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 2.902 -2.238 -0.407 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 5.828 0.250 -17.684 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 -2.368 -4.159 6.451 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 -2.487 -10.357 5.531 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 10.721 -3.884 0.254 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 0.212 -2.683 5.254 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 5.756 -12.262 15.115 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 -8.005 -9.769 14.017 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 3.035 -5.004 4.627 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 0.711 -8.264 2.925 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 -0.145 -6.602 0.431 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 5.845 -1.409 -0.492 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 -4.596 -13.163 10.802 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 6.308 7.169 -3.864 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 -0.626 -2.768 0.971 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 4.341 -10.397 7.322 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 3.521 -5.610 3.299 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 -7.233 4.456 0.666 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 12.110 9.773 27.324 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 -20.953 -27.418 -4.975 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 3.034 8.251 -0.542 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 23.989 -2.582 -10.906 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 19.045 -5.413 -6.781 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 -0.205 1.850 2.486 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 -4.302 -4.485 10.171 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 -7.405 3.905 -4.232 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 -3.698 1.109 0.369 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 -3.861 1.331 -1.104 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 2.402 1.370 -4.478 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 -2.192 -7.651 7.041 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 -23.175 19.120 -39.210 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 -37.126 1.673 -15.187 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 0.877 4.640 -1.242 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 -19.180 -8.877 19.817 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 5.954 8.585 -2.645 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 3.103 0.884 1.884 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 8.444 -0.094 11.756 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 -0.325 0.206 -5.227 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 2.621 5.275 2.946 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 -5.792 -3.431 7.470 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 2.385 3.731 -9.016 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 1.377 -0.602 0.738 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 -3.212 3.935 5.349 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 -4.739 5.026 11.196 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 0.429 -0.588 -5.698 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 -0.030 -8.939 1.401 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 16.124 -3.778 8.140 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 4.454 -0.364 -1.098 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 6.238 -9.001 10.089 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 -5.777 6.156 -5.413 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 0.431 -1.569 0.034 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 -0.757 -10.896 -5.223 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 5.966 35.009 6.686 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 0.876 -2.846 -2.322 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 -4.519 -9.656 -4.377 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 12.651 -11.321 -17.629 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 2.753 2.689 2.422 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 -8.247 -30.785 22.349 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 19.351 15.699 15.924 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 -3.923 0.487 1.088 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 -1.291 1.746 -13.690 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 -12.196 -15.057 5.286 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 3.600 1.891 -0.766 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 -0.000 6.470 0.158 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 2.125 -0.570 -12.913 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 -8.955 1.016 -3.069 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 -21.008 -6.630 -7.711 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 -0.891 3.765 -7.211 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 -0.158 -5.012 3.290 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 -2.686 -19.313 2.711 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 -3.128 4.190 15.387 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 -4.692 -5.428 -0.440 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 4.964 2.024 22.299 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 -7.816 9.282 12.340 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 0.980 0.741 -7.589 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 -26.767 17.882 2.819 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 10.460 17.264 -14.483 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 0.452 3.142 -0.579 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 20.189 0.887 15.760 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 -0.127 9.297 7.777 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 6.488 -5.414 -6.278 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 -8.523 11.841 -4.978 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 2.860 -0.461 -5.574 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 5.313 -5.891 2.627 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 2.235 4.367 10.820 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 -0.724 -0.206 -10.690 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 6.907 -1.065 -2.967 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 17.718 8.931 6.224 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 10.446 2.396 0.041 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 5.207 2.897 -0.639 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 22.878 27.001 2.511 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 -1.562 -8.757 -3.511 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 0.284 -0.570 -4.638 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 1.399 -4.374 -1.727 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 -14.252 -2.018 1.855 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 3.154 -3.375 -1.100 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 0.805 -3.981 -4.171 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 1.358 -1.726 -5.165 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 -3.821 2.111 4.715 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 -3.380 1.115 2.728 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 15.111 -9.505 9.016 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 -2.401 2.828 4.355 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 -21.342 4.319 1.209 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 0.031 -15.174 9.474 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 -12.781 0.150 -1.632 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 -3.111 -13.877 0.933 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 -12.357 -12.505 -9.178 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 -2.116 -0.231 -0.514 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 -5.218 -10.138 2.737 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 -5.275 8.616 12.236 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 0.228 5.697 2.895 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 10.336 2.964 -2.741 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 1.253 10.200 -0.169 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 0.207 0.682 -2.606 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 6.241 -7.506 -0.576 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 2.103 9.521 -0.576 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 -9.367 -2.753 1.641 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 -20.868 -0.069 5.915 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 20.644 -3.189 -13.756 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 2.626 2.039 -2.950 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 17.816 5.995 -2.924 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 -18.410 16.970 3.924 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 0.352 -6.344 2.252 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 0.950 -17.709 17.053 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 5.864 2.137 -2.324 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 -1.161 -2.424 -4.151 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 6.402 -0.139 9.093 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 6.204 -2.726 -14.830 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 -9.202 3.105 -0.142 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 -3.049 -1.288 -12.193 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 -4.534 -1.973 -13.612 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 1.954 4.656 -0.362 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 5.612 4.293 -4.570 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 6.744 10.346 -7.166 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 2.111 6.257 -0.303 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 12.627 18.074 6.938 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 -6.602 16.981 -4.571 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 1.350 0.096 3.235 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 -2.688 16.132 -6.579 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 6.943 -20.495 19.274 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 1.035 8.226 0.810 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 7.743 -1.386 -9.594 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 18.886 -0.248 0.668 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 -4.545 3.096 2.653 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 -6.763 -5.440 14.488 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 6.420 5.862 -12.380 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 -4.968 -2.720 -1.749 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 -6.181 -2.387 -3.237 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 -17.679 -3.595 -19.701 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 0.035 1.058 9.144 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 -2.203 4.831 11.664 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 -3.609 6.906 8.564 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 -2.476 6.701 2.330 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 -11.256 12.099 -7.947 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 -7.790 -10.977 -0.042 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 -8.269 6.333 0.034 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 -4.619 -2.721 4.813 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 -1.551 -5.099 6.048 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 -0.617 1.107 -5.494 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 20.881 -1.029 -6.215 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 -4.610 -15.454 -29.205 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 4.361 -2.702 1.594 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 0.616 -0.785 7.128 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 7.760 -3.412 -2.401 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 -7.542 -2.084 1.585 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 -12.984 -10.269 6.759 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 -5.162 6.292 9.512 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 1.234 -1.957 -2.210 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 -20.211 6.083 -2.019 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 -9.247 17.690 -5.338 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 3.027 0.771 4.386 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 -12.499 -20.275 -21.612 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 -18.379 12.168 -12.175 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 -8.966 1.277 7.798 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 -7.758 -4.221 5.952 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 -3.242 8.994 3.841 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 2.253 -0.858 -0.647 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 4.384 0.837 -3.239 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 -4.330 -10.684 10.370 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 -0.230 -0.982 1.827 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 -15.055 -0.445 3.386 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 0.458 1.183 -8.972 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 -0.932 2.318 -3.217 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 5.171 -4.746 8.786 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 -11.351 -9.279 2.541 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 1.791 1.770 -7.008 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 8.340 25.894 -0.399 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 6.402 0.113 -0.979 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 -4.537 -5.727 1.339 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 13.736 2.853 -11.808 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 -20.480 -7.192 11.849 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 -1.275 -1.844 2.792 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 -13.465 1.461 20.033 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 0.163 -11.816 4.204 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 -2.414 1.449 2.534 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 13.573 11.976 -13.211 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 -21.060 -10.491 -2.858 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 1.927 6.334 -0.172 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 19.784 14.042 -8.827 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 16.267 3.697 13.881 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 1.884 -0.743 -0.855 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 2.183 8.089 2.506 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 4.894 17.390 2.691 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 -1.265 -5.981 7.093 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 5.148 -9.868 15.941 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 -10.565 -5.119 12.780 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 2.767 -0.210 -3.458 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 -2.744 -8.904 6.178 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 -2.502 23.509 14.230 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 -2.437 1.115 -3.528 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 -3.198 6.626 -9.073 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 6.872 -1.185 -6.037 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 -2.608 0.077 2.008 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 -6.322 -1.024 -13.531 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 -4.174 0.624 -5.387 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 5.241 7.343 -7.521 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 -22.887 -16.067 16.670 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 5.981 7.365 -8.898 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 5.343 -1.109 5.219 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 9.842 -5.504 15.770 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 5.272 3.812 14.692 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 1.289 -4.693 -0.482 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 -1.714 -20.406 -22.227 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 -4.627 10.387 15.680 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 0.476 0.440 -7.255 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 7.973 18.151 3.114 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 3.672 -2.315 -10.836 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 3.222 1.146 7.268 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 -8.176 -4.916 -3.450 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 -32.611 2.089 -28.069 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 2.925 2.445 3.745 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 6.882 4.684 4.315 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 6.043 6.139 3.340 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 1.095 8.863 -6.146 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 -6.965 -21.483 0.365 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 -6.194 -20.831 -10.631 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 -0.214 8.059 3.462 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 21.416 -17.837 7.663 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 -16.837 21.285 9.985 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 6.449 0.001 -1.996 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 11.578 -13.710 26.282 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 -14.096 3.200 -4.437 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 -2.912 1.379 6.230 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 7.722 13.069 3.931 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 0.107 -0.216 4.410 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 -0.513 1.156 -2.129 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 10.858 7.359 15.167 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 -11.868 19.019 -10.045 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 -0.049 4.938 -5.129 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 -3.925 -1.245 2.150 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 7.998 -3.408 -0.113 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 -3.954 2.204 -3.391 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 -9.283 18.355 36.993 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 -4.076 11.290 42.091 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 -5.063 4.710 -5.523 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 8.918 24.827 7.256 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 -10.934 5.905 -19.394 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 1.660 -0.383 6.585 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 -9.325 2.776 -7.898 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 -2.089 1.459 -5.852 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 -4.515 -3.089 -6.588 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 8.798 26.309 2.855 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 -21.564 -21.760 -14.079 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 -2.348 -3.804 -2.358 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 4.458 -5.520 -4.982 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 -3.978 -5.484 0.676 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 -4.634 -0.284 1.727 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 -9.225 0.726 19.249 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 9.766 -9.473 -0.671 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 3.693 2.366 -3.008 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 20.497 -16.511 7.651 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 -1.378 15.993 17.943 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 -1.914 3.396 3.774 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 16.795 2.109 4.935 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 -15.670 5.748 2.906 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 3.094 -4.152 5.194 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 7.215 -22.798 5.540 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 12.064 -3.441 23.096 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 -2.045 -2.297 1.227 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 17.914 1.881 15.400 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 -3.512 11.172 -21.807 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 4.831 1.404 3.500 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 1.244 0.486 12.636 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 5.482 -6.490 -1.872 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 6.667 6.423 -2.947 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 -6.483 -4.479 -0.102 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 -8.207 8.429 0.983 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 2.112 3.279 -5.365 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 6.912 10.199 7.366 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 2.719 -23.229 -11.945 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 -0.220 5.473 2.191 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 3.746 7.283 -4.968 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 -4.294 13.043 1.648 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 1.790 3.225 3.801 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 8.791 -10.694 15.540 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 5.350 -3.135 12.472 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 -1.253 3.060 1.259 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 -5.467 -18.818 8.464 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 -13.875 8.142 12.195 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 -0.239 2.852 -3.761 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 -10.865 -2.937 4.975 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 9.452 15.112 -0.063 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 6.152 4.376 -2.116 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 1.175 -0.409 -8.808 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 10.855 12.126 -8.845 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 1.821 2.230 -0.554 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 4.076 2.064 -24.483 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 -11.850 14.200 -18.657 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 0.303 0.518 -4.597 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 -29.952 0.150 -11.655 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 10.402 4.267 -1.813 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 4.328 0.483 0.867 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 5.621 2.434 -0.343 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 4.017 1.694 2.253 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 -7.587 -5.673 0.207 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 -8.108 2.193 6.571 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 -3.352 22.032 0.636 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 -6.804 -1.809 -3.419 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 -1.967 -3.277 0.023 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 -8.404 -19.804 -11.021 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 -2.602 0.370 1.802 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 4.570 8.694 6.906 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 -4.063 -2.476 -1.778 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 0.329 4.930 -6.705 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 -4.478 27.651 -10.850 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 2.411 -2.360 -9.304 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 4.658 0.439 -2.255 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 5.083 -8.247 -2.124 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 4.406 -2.466 0.056 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 -1.377 6.059 11.443 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 7.677 -2.477 8.362 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 0.233 -2.359 20.153 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 7.742 -5.021 -0.241 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 11.790 -2.435 4.745 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 10.506 -11.650 -20.485 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 6.759 3.166 -3.241 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 0.969 10.653 19.600 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 -2.379 26.795 -15.720 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 -1.116 5.598 10.247 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 7.747 2.205 -2.270 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 -27.769 18.426 0.606 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 0.964 5.830 5.761 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 -6.342 3.083 7.093 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 -11.862 2.945 2.582 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 4.762 -0.133 5.018 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 11.355 -12.514 -3.426 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 -7.822 11.230 3.086 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 -1.919 1.049 3.435 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 -2.480 -9.923 5.568 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 -12.422 21.439 -5.770 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 2.529 2.238 -0.310 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 -8.777 -5.853 17.349 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 -12.082 7.897 -8.271 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 4.682 -1.050 2.012 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 6.383 26.608 -23.881 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 -19.420 -22.794 -9.415 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 2.302 0.307 1.832 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 -6.136 -8.376 17.691 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 -7.347 6.048 -2.186 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 -1.347 4.239 2.911 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 -9.099 -6.521 3.709 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 1.425 7.032 15.102 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 3.355 -2.234 1.531 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 5.251 24.873 5.507 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 -7.644 -16.851 6.701 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 -1.110 -3.786 0.551 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 2.154 -12.923 8.418 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 7.012 16.109 4.961 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 0.082 -1.828 -2.403 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 9.488 7.936 21.568 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 1.307 -2.820 -4.212 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 1.451 12.117 0.541 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 6.361 9.881 4.085 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 6.337 12.365 -0.289 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 -4.718 0.865 0.439 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 11.388 8.568 -14.514 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 -3.194 6.836 7.741 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 1.474 -4.154 -3.535 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 41.510 17.469 -1.746 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 0.284 -17.140 1.585 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 4.059 -7.315 -0.045 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 -1.832 -19.202 -0.782 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 1.797 3.166 11.596 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 3.466 0.202 3.293 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 4.104 -5.475 2.418 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 13.238 -9.374 14.865 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 -0.227 -0.917 4.671 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 0.450 -5.819 16.098 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 0.795 12.978 -2.639 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 3.105 -0.609 1.684 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 -1.816 -1.744 8.255 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 1.900 14.422 2.848 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 -0.733 5.198 -4.719 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 -3.822 2.151 -3.631 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 -26.818 -11.393 8.578 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 -0.156 -0.357 -4.808 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 -7.676 -10.534 20.585 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 -11.227 9.879 -1.525 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 0.401 -3.017 1.948 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 5.695 -9.616 -5.339 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 -0.130 -8.155 -7.882 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 -1.243 -0.701 3.179 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 5.366 0.680 1.498 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 2.110 -0.406 1.752 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 -3.426 2.880 -6.169 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 5.301 0.337 -9.196 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 -21.243 -2.001 -11.582 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 6.498 -5.376 -4.172 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 -4.373 2.746 -1.919 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 8.871 -7.841 -4.545 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 -2.982 -1.019 5.374 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 -12.046 -4.123 -0.008 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 -0.636 -7.960 17.888 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 0.003 4.491 -3.811 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 -21.887 -11.883 13.529 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 -2.508 -8.948 -31.107 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 6.133 2.811 -5.769 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 11.892 -11.318 3.492 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 0.373 9.146 -20.355 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 1.987 0.181 -0.327 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 12.786 -10.933 -13.853 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 -4.555 10.816 -8.289 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 -3.247 -0.539 -4.914 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 1.494 4.233 -15.645 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 -7.874 16.121 30.294 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 -1.734 1.172 2.326 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 5.716 11.382 5.623 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 -4.991 -2.180 3.806 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 1.535 0.443 2.016 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 -6.646 -3.155 3.500 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 11.565 -9.146 -8.918 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 7.025 -8.578 -2.894 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 6.622 10.476 -5.078 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 0.858 -2.309 3.164 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 -0.266 -0.921 0.597 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 7.708 1.384 -17.132 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 11.521 -9.306 8.232 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 1.405 5.746 0.404 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 14.264 16.705 8.979 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 0.540 3.184 -0.054 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 0.511 -2.822 5.672 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 -0.481 2.451 -9.582 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 -1.322 6.198 -23.579 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 1.299 1.918 3.602 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 -5.685 -1.572 13.744 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 -7.256 18.225 10.946 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 1.634 0.901 0.631 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 4.455 0.330 12.819 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 19.509 -21.093 -2.764 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 -1.646 3.368 -0.912 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 -16.279 -6.963 -3.293 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 19.105 -18.582 -9.239 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 -3.866 -0.445 -1.579 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 10.134 1.180 4.706 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 0.057 3.290 1.930 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 -3.026 -1.113 -5.007 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 -0.315 -4.288 -4.667 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 -22.037 22.435 -10.255 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 0.307 5.431 6.499 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 -6.166 5.023 -19.156 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 -14.445 8.289 -15.526 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 -3.274 -7.777 4.726 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 -8.601 1.338 4.155 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 10.502 -5.818 -1.242 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 4.700 -2.550 5.797 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 3.759 -7.614 7.126 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 -3.872 -13.253 7.740 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 -2.565 -1.427 0.366 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 -1.329 10.926 40.296 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 -1.331 4.039 32.977 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 1.938 -0.496 -7.490 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 2.546 1.984 -5.105 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 -3.541 -15.939 -10.831 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 0.228 -2.930 0.820 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 4.188 -4.836 -18.054 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 -1.926 -12.208 10.149 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 0.461 -5.715 -3.486 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 3.624 -8.274 -4.242 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 -6.507 -1.115 2.888 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 2.751 3.299 3.419 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 7.032 2.580 5.563 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 -0.405 -5.882 3.944 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 -0.970 -1.157 -0.678 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 7.883 9.789 7.087 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 -6.062 6.262 -5.147 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 2.971 5.054 2.836 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 -1.450 13.661 -4.911 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 -0.002 -6.086 -5.707 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 0.865 7.508 1.835 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 -14.053 -8.828 -5.079 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 -20.389 18.468 -5.856 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 -1.970 -0.348 -3.446 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 -4.445 -13.765 -2.545 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 -10.324 -11.122 23.122 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 -0.256 -4.589 -0.383 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 -1.791 -8.853 17.626 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 -6.726 -4.806 -24.019 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 0.486 2.123 4.803 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 6.379 17.599 -15.903 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 12.020 -16.281 -4.406 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 -7.915 3.368 2.666 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 -11.261 -6.124 9.964 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 -10.214 -17.373 8.081 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 -1.230 -5.767 4.371 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 15.651 -1.683 -11.437 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 8.347 -18.136 19.434 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 -0.952 -0.919 -7.973 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 -7.548 8.047 6.761 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 16.658 -6.755 -2.364 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 4.586 -9.193 -1.970 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 3.710 -12.466 -5.230 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 -2.019 -5.847 0.428 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 -9.312 -0.299 -7.646 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 -5.695 11.639 -12.955 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 1.611 5.910 -9.733 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 -8.369 -2.243 3.918 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 -7.317 -8.020 6.898 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 -5.966 2.663 4.682 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 2.349 -2.021 1.512 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 1.167 15.700 8.602 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 19.182 -5.155 -3.109 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 2.825 3.472 -1.535 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 11.531 11.852 -7.999 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 3.680 -8.117 -5.410 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 2.996 -3.343 1.723 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 4.545 -10.078 13.771 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 -14.261 3.816 -2.732 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 1.280 2.499 5.834 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 7.170 -0.393 -5.560 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 7.823 -4.891 -7.730 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 0.030 -2.007 0.410 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 -0.355 -2.293 -5.531 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 8.629 -1.550 -2.315 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 -0.424 2.195 1.926 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 4.501 -8.529 -9.486 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 15.029 -5.226 -1.808 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 5.444 -3.883 -1.699 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 -5.644 -21.932 1.298 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 -7.862 12.876 -1.732 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 1.907 -3.401 1.788 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 -24.879 19.921 16.049 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 -7.875 -6.925 9.022 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 -8.262 0.409 2.581 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 -5.835 -10.833 1.659 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 -15.513 -13.009 8.425 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 -1.999 3.764 -2.969 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 -3.232 2.195 -5.687 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 4.678 -2.197 1.420 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 -3.628 -0.048 -1.902 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 -0.745 -10.871 0.644 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 33.877 -3.437 -11.958 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 0.053 0.383 1.022 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 9.623 -8.463 -10.769 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 15.906 16.236 -8.452 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 3.315 -4.248 -0.885 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 3.268 -2.561 11.056 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 11.192 -4.958 13.937 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 -3.814 -5.079 -4.383 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 -18.647 5.896 -13.109 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 18.826 0.486 -13.753 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 -0.137 0.307 -1.648 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 14.084 -4.146 -2.433 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 -14.420 6.481 13.245 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 -2.340 3.219 -7.085 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 -4.490 2.903 -5.539 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 -3.237 -1.835 -14.325 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 3.366 4.374 -0.626 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 6.199 -8.400 -20.634 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 9.609 21.434 29.631 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 -2.738 0.774 0.648 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 7.686 -13.206 14.478 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 -5.820 4.077 -10.396 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 -4.249 0.916 4.814 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 -8.908 -9.919 13.911 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 -1.077 9.795 11.994 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 -5.184 2.725 4.774 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 -11.533 5.403 -0.452 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 -16.764 -0.994 -9.601 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 -4.098 -1.733 5.486 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 -14.406 -8.240 17.796 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 -0.055 12.256 -4.886 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 -8.848 -1.352 5.171 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 -17.414 -13.484 -1.440 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 -24.518 13.708 -1.119 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 -4.603 6.228 3.728 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 4.864 -1.852 6.575 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 -0.974 -8.829 7.523 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 -5.456 -2.818 5.242 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 -6.645 6.622 7.920 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 -4.968 14.941 6.928 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 -3.598 7.376 7.068 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 16.927 8.142 9.390 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 -0.212 4.192 13.750 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 0.765 -7.760 7.584 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 -28.744 3.120 21.863 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 -3.849 -1.897 1.364 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 0.992 -0.544 -1.818 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 5.784 -10.924 5.467 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 -2.730 10.878 -10.605 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 1.497 4.842 2.109 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 -5.015 -4.181 4.260 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 -2.788 9.322 -5.068 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 4.210 5.598 2.370 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 -18.009 28.567 10.056 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 23.340 5.069 -17.807 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 7.040 -1.478 1.943 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 0.685 -9.692 -12.342 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 -4.390 6.600 6.390 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 -3.064 2.138 0.169 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 -8.450 17.364 1.431 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 7.900 -2.458 -4.508 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 -2.830 -3.015 3.240 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 -2.894 3.846 4.036 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 -7.081 12.878 16.703 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 -0.794 -2.061 0.152 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 -7.323 3.811 -8.740 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 6.155 -7.179 6.546 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 -4.830 2.141 -5.042 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 -12.347 -3.905 -3.200 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 2.539 3.945 2.342 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 -1.807 1.159 -2.052 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 -2.796 -27.216 6.116 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 17.688 18.982 -6.154 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 1.136 2.244 -1.346 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 -3.643 -8.400 2.503 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 9.071 4.489 2.681 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 1.590 4.116 -1.735 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 2.525 3.044 0.146 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 -10.902 -9.915 -26.225 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 -5.514 -2.471 0.233 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 2.272 -1.441 2.115 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 14.974 -3.980 3.965 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 -2.650 -1.576 -5.046 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 14.495 -5.477 -6.593 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 -24.023 5.626 2.074 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 -2.258 2.712 -1.430 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 -0.300 -3.981 0.029 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 0.109 -7.956 1.983 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 2.747 5.478 5.213 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 11.021 13.133 5.708 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 -0.067 6.887 15.291 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 3.120 -3.278 0.378 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 10.979 -12.606 5.332 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 6.744 3.376 3.249 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 2.601 -0.363 1.651 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 -4.152 -4.886 -3.659 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 -0.951 4.575 11.171 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 -0.927 8.642 7.802 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 -14.778 -26.396 -0.828 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 1.475 14.211 8.959 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 -4.560 1.503 1.913 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 -7.130 21.154 15.491 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 6.810 3.908 -21.095 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 -9.583 3.553 2.051 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 -8.914 -14.010 9.856 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 -27.159 -1.389 -16.160 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 3.316 -1.608 -1.575 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 -12.047 -1.925 2.151 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 -15.782 -1.976 -33.662 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 2.915 -2.920 -4.847 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 7.552 6.959 -31.178 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 16.671 -22.591 3.394 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 -1.299 -1.981 -4.378 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 -16.542 11.627 -22.799 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 -5.328 -9.273 -10.144 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 -0.679 -6.465 -3.749 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 -17.567 -1.431 7.497 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 12.747 -5.125 -1.039 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 0.500 2.302 -0.251 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 -10.073 -9.675 12.258 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 8.738 4.012 -23.443 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 2.913 -0.845 -2.955 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 -10.608 -16.645 7.363 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 5.962 1.217 6.671 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 0.492 3.619 -1.821 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 1.954 9.907 -12.248 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 -15.401 8.734 1.146 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 0.958 1.626 3.415 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 -9.413 -14.657 -4.493 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 17.962 2.866 -1.731 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 -2.747 0.117 1.734 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 0.395 10.185 -5.309 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 -0.038 16.479 -9.342 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 -0.697 -2.242 -2.215 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 4.618 -15.388 9.949 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 20.992 6.810 0.555 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 -0.913 -1.190 2.610 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 14.388 0.252 -3.416 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 10.817 -0.537 8.377 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 -7.572 5.846 -5.580 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 5.558 -3.752 11.411 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 10.577 2.969 14.347 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 -1.247 -6.152 -0.621 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 7.401 26.041 -2.249 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 10.346 4.876 -6.682 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 2.617 6.794 2.368 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 1.492 -0.423 12.015 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 -7.340 8.477 2.798 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 -1.044 4.418 -1.428 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 -12.190 -7.503 0.140 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 21.659 22.964 -11.830 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 2.858 2.297 1.345 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 -17.506 7.612 -5.402 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 -15.413 36.836 -3.864 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 -0.289 -1.458 -0.387 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 -11.059 21.148 -22.834 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 -10.778 -9.783 9.225 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 1.224 -0.696 5.002 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 0.720 4.749 3.400 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 4.970 -26.717 13.596 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 1.500 -0.903 -1.090 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 -5.068 -10.933 9.730 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 2.310 -2.745 0.103 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 -2.058 -9.580 4.629 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 21.588 -15.753 2.433 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 1.170 -12.316 14.619 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 -6.798 1.662 -0.316 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 -17.072 6.271 -4.079 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 -2.663 4.405 -9.472 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 -1.273 -1.056 4.383 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 11.213 -0.776 22.218 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 -14.652 1.702 10.488 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 -3.062 -2.565 5.285 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 -15.087 -20.533 10.796 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 6.608 2.599 -0.757 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 5.952 -5.156 2.979 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 16.874 -10.873 -1.286 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 -1.705 9.555 5.900 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 -1.208 -4.320 3.632 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 -25.907 21.159 -3.353 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 12.765 -14.616 8.480 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 1.514 0.534 1.578 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 -14.707 -8.529 -3.309 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 5.218 -8.287 17.011 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 6.314 -3.936 -1.522 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 -3.526 -10.677 5.567 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 -3.340 -9.799 -23.669 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 -4.486 0.593 -4.888 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 24.611 -14.349 18.127 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 -20.869 -0.994 12.839 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 2.349 1.232 4.208 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 2.669 1.154 5.433 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 13.940 11.138 4.094 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 3.437 -1.855 -5.570 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 -3.031 3.708 4.592 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 -11.649 -1.604 -5.846 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 4.614 0.516 -0.390 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 12.577 -0.140 4.791 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 0.084 1.350 9.544 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 -2.018 -2.824 -1.968 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 -1.320 12.271 -1.966 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 6.583 10.745 6.936 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 0.968 0.689 -0.983 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 14.609 1.950 10.530 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 11.859 6.512 5.684 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 -2.044 -0.744 3.154 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 -27.152 -9.078 -18.471 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 17.219 8.083 -28.963 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 4.747 1.658 3.957 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 8.071 10.266 3.302 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 -0.371 -6.091 -0.564 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 -4.138 6.668 6.100 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 -3.165 9.367 32.903 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 14.003 -1.834 -19.827 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 -4.781 -2.903 3.847 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 -11.463 -7.059 -2.438 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 1.109 -6.360 1.165 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 -1.367 -8.296 4.540 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 -16.955 11.599 -14.545 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 -4.847 -16.486 -13.208 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 -2.974 5.853 2.334 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 -17.846 19.299 -3.094 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 6.481 10.969 -2.159 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 -2.182 -2.398 3.550 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 -4.435 -2.353 -19.702 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 2.104 18.900 5.292 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 3.122 5.724 -5.013 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 12.643 6.428 -2.437 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 -1.354 -7.686 -2.775 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 -2.723 4.520 -2.823 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 7.480 15.567 -14.424 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 18.821 26.334 -43.246 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 4.741 0.830 -5.198 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 -7.210 2.837 -0.897 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 15.580 -6.454 -19.564 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 -7.095 1.051 -4.495 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 5.421 -8.849 -10.958 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 1.770 13.693 -6.461 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 3.980 3.504 -0.149 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 3.455 4.522 -1.136 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 4.731 -0.479 4.177 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 -2.478 -1.680 -0.932 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 2.053 24.091 -5.668 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 2.237 -8.895 -8.397 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 -3.280 0.774 3.761 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 -8.705 19.853 14.488 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 -17.036 6.004 3.722 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 1.659 -5.280 0.917 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 -10.214 -7.892 1.913 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 5.122 -7.293 -6.617 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 0.681 -6.717 -4.323 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 5.221 3.002 -16.653 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 -3.484 -11.938 -0.182 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 -0.152 0.711 3.680 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 10.687 -10.087 -3.377 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 3.056 -4.550 2.086 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 2.209 1.325 -3.422 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 3.697 0.995 -17.110 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 7.099 -0.038 -14.433 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 -2.703 -5.285 1.652 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 22.365 9.992 -23.381 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 14.524 7.665 7.558 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 -1.365 -11.561 0.374 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 0.822 -3.245 -4.105 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 -9.459 21.807 15.915 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 -0.857 -3.224 -3.765 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 10.630 2.258 -0.263 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 19.096 3.108 2.149 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 2.544 3.589 5.030 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 19.632 -5.252 10.063 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 30.967 -12.547 3.682 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 4.203 1.281 6.574 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 9.214 5.026 3.275 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 -12.767 -12.252 17.466 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 0.525 -1.634 -9.535 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 -4.228 -0.076 -3.511 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 0.317 -4.429 -8.571 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 0.201 5.327 -3.212 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 -1.434 -11.044 11.181 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 4.421 7.346 -17.862 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 -1.452 4.166 6.347 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 6.277 -26.308 -19.466 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 0.477 -11.770 -14.687 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 3.574 0.710 5.836 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 12.911 -4.895 1.231 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 -3.776 -7.018 5.321 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 10.509 -0.554 5.220 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 -14.323 12.346 18.000 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 3.599 24.450 11.230 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 5.482 0.052 -3.830 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 16.320 10.784 0.670 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 10.111 33.354 1.309 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 -3.559 0.339 6.462 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 -3.871 -1.405 16.099 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 17.368 3.971 24.600 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 1.531 3.438 -3.054 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 -5.904 -16.039 -5.664 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 -8.535 8.118 10.026 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 -1.215 7.650 -2.519 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 -25.015 6.079 -1.077 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 10.819 13.616 -14.188 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 4.422 2.897 10.136 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 0.193 14.297 9.851 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 -9.412 -24.422 4.353 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 0.772 5.947 6.194 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 3.565 22.544 12.111 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 4.058 1.514 -6.907 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 5.298 -5.941 -5.577 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 7.748 9.286 13.189 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 15.119 8.746 -14.369 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 3.138 2.211 3.429 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 2.026 0.492 4.261 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 8.639 -11.544 -3.141 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 0.442 1.886 1.763 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 -0.742 -0.172 13.120 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 9.538 21.422 -4.156 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 1.981 1.809 -2.319 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 12.525 -0.405 3.547 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 1.899 -5.292 13.557 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 4.736 -0.053 1.668 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 3.114 12.171 1.866 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 -5.125 -7.670 -3.780 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 -3.743 -6.444 3.576 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 -1.852 -12.060 -6.092 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 -4.688 0.612 3.849 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 1.419 4.328 6.351 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 -10.194 -8.086 9.578 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 9.262 -0.738 -7.694 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 -0.421 -2.519 -1.197 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 11.836 19.246 9.600 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 -0.690 -12.306 18.635 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 -5.374 -1.425 -6.965 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 -4.561 -16.276 -9.577 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 1.537 -18.613 1.037 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 -5.080 0.682 4.891 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 13.354 -10.422 -10.493 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 6.404 -4.269 28.768 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 3.640 -0.473 -3.178 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 8.929 -28.667 13.767 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 -2.934 -13.328 -3.571 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 6.538 -0.279 -1.092 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 20.143 4.144 -3.623 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 1.837 9.948 8.543 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 3.836 0.921 -1.838 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 -0.264 3.601 -1.348 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 5.691 4.414 -7.776 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 3.630 2.058 2.933 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 5.361 -8.474 -12.970 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 3.883 2.869 4.009 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 -0.828 -5.524 5.767 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 -2.036 10.316 8.240 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 4.021 -8.447 3.953 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 -0.577 0.827 3.867 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 1.652 0.881 5.500 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 -1.306 -2.493 1.510 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 -5.262 3.259 -1.168 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 6.790 9.753 4.096 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 0.784 -8.809 -7.852 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 2.520 -0.548 3.470 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 -8.250 12.456 1.139 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 25.657 13.175 8.812 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 -4.443 -1.726 0.876 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 8.785 17.446 4.997 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 4.659 3.352 8.777 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 -5.403 -6.988 -7.790 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 -6.674 -6.969 -16.791 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 -6.158 -25.252 7.128 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 -4.087 -1.368 -0.683 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 -8.355 -0.067 5.496 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 -3.920 -9.919 -0.750 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 -3.523 -0.554 1.819 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 -36.747 1.770 10.261 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 -26.126 2.373 -2.088 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 -5.460 5.529 -1.807 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 8.204 10.477 14.616 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 -12.237 24.595 -4.588 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 3.136 4.925 3.026 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 -2.582 -1.014 15.122 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 16.311 -8.077 2.483 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 -0.075 0.011 4.477 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 8.775 15.252 1.156 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 6.364 7.787 2.298 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 -0.139 -1.161 1.630 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 -0.379 8.349 3.406 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 0.013 -5.850 1.759 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 1.771 2.180 -1.375 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 -5.118 12.772 7.675 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 0.526 -10.341 -13.147 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 1.740 3.141 -1.483 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 -1.185 -0.674 -0.146 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 2.060 2.049 0.609 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 -1.603 -1.469 0.433 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 7.148 -1.290 5.775 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 -3.984 -0.756 -1.889 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 -4.983 1.083 1.163 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 -0.858 -3.464 20.127 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 22.919 6.416 -0.659 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 -2.454 0.773 -0.314 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 11.223 -11.269 -5.228 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 -8.508 6.009 2.426 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 -0.334 -0.790 4.278 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 -15.357 -26.889 -14.448 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 -14.836 6.045 -20.333 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 2.329 1.955 0.972 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 -22.470 -4.364 2.129 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 -0.410 6.177 3.660 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 -2.717 -4.690 -0.293 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 -7.467 -3.828 -8.972 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 -16.287 -7.784 8.141 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 -4.362 -0.046 -0.238 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 7.995 -7.438 -1.996 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 4.049 18.207 -6.135 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 1.317 -2.930 -3.024 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 2.271 -6.750 -2.257 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 9.197 -14.888 -4.095 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 -3.421 8.049 -3.823 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 -5.789 -2.924 -19.242 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 -1.633 6.917 -5.970 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 -4.700 -2.029 -1.431 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 8.522 -8.981 -0.970 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 -1.572 -1.482 -2.471 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 0.856 -0.316 1.839 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 -0.732 -23.334 -18.576 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 -11.215 -4.333 -2.402 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 -3.261 -0.329 2.526 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 6.878 -23.288 -0.131 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 -28.209 -3.429 11.035 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 0.674 1.648 -0.672 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 -3.141 4.601 3.132 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 1.318 6.379 -2.731 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 1.290 1.645 -5.529 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 11.219 -6.679 -6.373 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 1.544 -5.768 10.529 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 1.555 -6.611 -1.652 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 1.180 -3.162 -15.752 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 4.173 -14.565 -2.827 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 -0.424 -1.874 -3.173 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 -5.100 19.900 9.940 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 4.338 -4.252 -17.039 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 1.818 6.337 5.015 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 0.200 25.519 10.077 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 8.121 -0.412 18.189 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 -1.282 -2.621 4.203 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 -6.073 -12.142 10.270 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 -26.647 9.727 -0.283 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 -3.297 0.207 -2.813 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 5.902 -3.285 5.234 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 -15.798 -3.371 -15.413 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 -1.952 0.408 -3.607 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 9.122 -17.328 -5.352 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 -8.062 5.278 12.142 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 -2.615 -0.645 1.218 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 5.091 4.331 -0.613 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 0.241 4.644 -2.837 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 -2.011 3.532 0.304 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 15.139 26.697 21.117 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 -4.792 34.199 -3.179 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 0.509 -0.623 -3.465 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 0.786 0.092 -6.741 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 -12.834 -6.091 -4.528 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 -5.407 3.399 2.167 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 -7.043 3.398 10.944 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 -8.364 15.133 -2.029 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 -5.545 -1.181 -3.400 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 -13.245 17.167 -6.885 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 -7.645 9.827 -3.230 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 4.330 -2.272 -0.386 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 -3.657 -4.858 3.425 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 13.599 36.577 22.972 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 -2.606 5.031 4.685 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 0.265 5.612 5.577 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 -1.059 1.304 3.130 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 -4.920 -5.790 1.986 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 -14.985 -6.702 20.079 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 9.263 -15.031 8.052 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 -3.419 3.205 -3.328 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 -23.701 -5.754 -3.320 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 -4.899 2.384 -3.234 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 0.758 -1.453 -0.355 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 0.415 16.703 0.579 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 2.203 -4.476 17.421 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 -2.554 -2.633 2.409 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 -0.835 -8.455 -2.074 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 7.493 -22.380 -10.862 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 2.504 -2.521 5.784 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 -0.077 -1.799 8.931 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 0.175 5.215 -21.605 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 2.919 1.963 -2.977 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 -11.239 16.595 0.490 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 17.348 -0.269 -6.509 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 -2.090 -4.970 0.026 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 8.629 -7.972 4.106 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 -11.886 -10.014 5.946 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 6.864 -5.348 7.101 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 2.817 -10.056 -5.326 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 -16.510 -1.168 8.838 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 5.230 -4.024 -6.806 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 -1.232 0.747 -5.105 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 5.491 -13.127 -8.257 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 5.979 -4.768 10.795 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 -0.308 -8.080 5.443 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 7.610 -8.611 5.974 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 -2.997 1.079 8.151 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 3.804 7.834 12.873 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 -26.758 -4.093 12.725 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 7.019 -3.236 -9.639 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 -1.639 0.655 -12.993 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 3.267 13.078 12.502 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 0.973 1.366 -1.509 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 14.183 4.696 8.857 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 -8.852 9.069 -3.942 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 1.550 -1.000 -2.792 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 -10.041 -22.182 9.617 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 -0.477 1.613 -19.824 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 -2.234 -5.805 -3.022 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 -16.034 -18.694 19.974 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 14.018 -3.050 -4.635 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 0.828 -7.736 2.184 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 4.530 -16.729 22.497 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 30.268 -7.749 3.703 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 -0.626 -5.421 -6.972 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 0.467 -8.106 1.901 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 -11.624 -1.927 -9.993 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 -2.795 0.127 1.920 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 10.669 3.998 -10.667 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 -8.443 -1.412 7.805 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 0.790 11.137 -3.808 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 -0.988 -8.623 -8.722 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 4.867 1.857 -7.890 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 0.481 2.358 3.705 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 1.170 -0.495 -5.334 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 -8.638 7.994 5.076 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 -1.197 8.055 0.923 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 10.413 -8.174 -22.271 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 1.779 -6.711 -7.816 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 -2.389 -0.296 -2.802 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 -3.320 2.718 -11.432 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 13.976 -13.944 4.240 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 1.627 1.427 -5.653 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 7.822 3.955 -4.222 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 7.065 4.614 -13.978 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 -0.210 3.236 1.982 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 3.301 7.824 3.864 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 17.705 -13.109 11.203 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 -3.242 -0.823 -5.779 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 6.448 -11.108 -6.913 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 -7.537 6.028 -6.764 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 1.822 -3.151 -1.098 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 6.476 -4.499 0.824 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 14.026 -13.924 19.946 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 -7.968 4.203 6.698 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 3.503 12.766 5.375 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 -11.358 6.113 -2.280 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 5.137 -1.559 4.518 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 8.378 -16.803 4.604 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 24.677 -0.088 -14.037 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 5.053 1.306 0.802 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 -6.090 2.507 18.413 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 8.936 3.658 -1.295 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 -5.366 4.942 6.800 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 11.855 -19.592 -1.962 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 0.796 -6.314 2.425 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 6.175 5.208 -3.778 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 1.219 2.073 5.172 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 -9.104 -6.332 3.038 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 0.916 -3.690 0.804 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 8.298 15.965 9.452 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 -1.659 -11.643 -1.898 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 1.849 0.955 -6.143 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 -13.853 4.984 6.119 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 8.465 -0.051 -7.967 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 1.044 -0.161 -2.008 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 6.908 3.347 22.796 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 27.836 0.789 -8.965 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 8.512 2.254 -0.246 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 7.925 -12.984 -0.884 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 1.497 -1.606 24.068 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 -0.746 -6.481 1.130 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 -8.069 -12.211 -1.046 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 14.298 4.710 1.427 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 -4.508 3.245 1.809 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 -9.572 -1.029 -1.655 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 5.903 12.762 16.505 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 -7.377 0.609 2.998 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 1.841 -0.990 -23.171 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 -6.808 1.152 5.349 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 5.372 5.069 3.662 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 2.618 1.848 -1.115 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 1.993 2.734 -1.838 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 6.189 1.510 0.181 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 6.202 12.384 1.568 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 -10.993 16.671 -35.146 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 2.258 -1.566 -1.936 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 -1.705 0.254 4.289 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 1.455 8.026 -5.221 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 -0.457 -3.674 4.531 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 -15.700 -12.729 -9.530 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 17.256 3.609 -11.689 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 -0.666 -2.930 -2.680 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 5.842 4.717 -13.046 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 -8.769 6.438 5.114 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 -0.970 -1.392 5.307 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 -7.682 -17.057 15.352 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 -10.158 -22.024 1.758 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 -1.420 2.437 4.847 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 15.082 -2.534 -7.662 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 -12.128 -5.314 -1.326 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 2.730 2.944 4.367 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 -5.041 -6.001 7.156 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 29.403 2.856 4.354 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 0.788 -5.262 -0.760 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 -20.574 -4.060 -5.268 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 12.286 -20.136 -8.612 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 -5.161 -4.376 -7.372 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 -1.257 -5.072 9.464 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 -13.506 1.068 -26.916 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 -1.385 -1.562 6.193 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 7.575 3.411 -13.493 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 -3.190 10.275 1.406 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 -4.373 -4.051 2.392 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 -9.224 8.498 -0.165 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 11.334 -14.446 10.528 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 -6.156 -0.131 0.872 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 -3.890 6.743 -1.963 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 5.172 36.711 -10.938 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 -5.679 -2.177 0.386 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 -19.421 4.995 -7.872 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 1.369 10.086 7.797 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 1.040 4.473 3.222 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 11.339 13.628 18.231 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 -5.065 -6.820 -7.113 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 1.440 1.089 2.318 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 4.462 9.083 -2.131 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 -2.681 -17.252 8.685 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 3.416 5.407 0.040 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 -24.882 -8.169 -1.174 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 14.322 -13.930 12.483 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 6.896 -0.201 -6.476 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 -1.246 2.839 10.995 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 -6.710 -10.077 10.049 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 2.897 -1.102 -0.862 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 5.460 -4.952 -3.337 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 -6.765 8.835 0.209 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 -0.028 0.111 -7.246 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 0.891 -4.277 6.591 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 7.450 6.834 -7.159 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 0.627 -7.337 2.193 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 -9.673 -7.711 10.845 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 17.741 -0.146 -16.848 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 -0.505 2.934 3.728 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 -2.554 6.019 0.894 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 8.246 1.016 7.471 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 -3.623 -0.800 1.676 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 -23.264 25.252 -21.313 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 5.164 5.253 -5.908 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 5.616 -6.349 1.902 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 14.558 -10.234 -6.602 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 9.479 -8.551 -2.173 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 -6.272 -4.839 3.938 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 -27.501 -7.011 4.756 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 -0.715 -25.583 -12.592 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 -1.930 -1.765 -2.985 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 -2.228 -2.864 -5.121 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 -24.389 -4.553 -6.853 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 -4.279 0.533 0.789 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 -13.128 -9.324 9.681 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 -0.538 16.304 8.789 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 8.278 -4.343 6.458 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 3.361 0.342 2.844 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 10.872 -10.866 8.493 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 -5.106 -1.966 -6.070 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 -1.186 -3.932 -16.770 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 -4.532 12.528 12.324 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 -0.203 0.594 -2.950 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 9.437 -5.501 -7.420 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 -8.291 5.538 -9.782 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 -3.246 -5.345 -1.764 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 -6.397 -10.684 13.712 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 0.759 -19.449 -9.853 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 9.289 -3.978 -5.424 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 16.378 -12.861 -3.385 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 -9.890 -0.987 3.167 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 -1.563 -4.156 -0.724 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 13.215 14.941 0.600 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 8.074 -18.169 18.476 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 0.399 -0.465 1.638 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 -0.602 -9.037 -0.408 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 -12.026 37.787 2.024 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 -4.041 9.782 -3.439 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 23.115 -19.755 18.351 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 -16.484 35.663 8.758 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 4.986 -1.393 -2.248 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 1.268 -3.226 -15.913 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 -0.621 12.508 -0.556 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 -1.650 4.171 -3.280 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 -11.131 2.268 7.326 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 8.237 5.465 -10.721 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 -2.536 6.324 -0.906 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 23.341 2.027 15.870 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 2.276 7.124 -12.966 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 3.184 3.823 1.582 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 8.076 1.888 1.598 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 -16.890 -2.843 -3.357 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 6.826 -4.300 -3.030 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 7.630 -25.949 -1.805 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 8.751 7.032 -3.591 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 6.419 -1.862 6.725 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 23.088 -1.580 6.191 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 -8.511 -4.681 -1.747 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 -1.077 1.266 1.828 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 -2.320 -3.899 5.226 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 -3.030 1.287 -3.182 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 0.253 -3.270 1.478 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 14.775 2.995 -14.848 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 2.021 -6.448 13.883 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 2.091 0.480 -5.137 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 -2.086 0.027 10.950 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 9.038 -3.629 10.464 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 -7.329 -3.230 -1.722 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 -4.149 -22.267 -0.227 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 -11.223 24.667 -4.819 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 2.094 1.348 -9.499 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 -5.672 -2.226 -15.656 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 2.760 8.217 -6.578 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 -2.411 1.857 -4.550 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 2.727 12.225 -1.389 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 0.050 -23.067 10.233 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 2.941 -2.840 -2.407 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 17.320 -1.380 14.870 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 6.691 -6.498 -8.466 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 -1.188 -3.106 -5.057 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 6.717 -6.383 -10.540 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 3.328 -0.620 2.299 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 3.193 3.674 4.354 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 5.140 -7.368 10.361 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 3.063 0.441 -0.311 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 -0.524 -2.959 5.076 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 25.989 6.464 0.545 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 8.138 0.747 5.518 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 2.893 -0.626 -3.812 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 4.658 -0.299 -10.557 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 -12.840 -1.673 -14.152 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 2.301 6.108 1.677 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 10.398 15.421 19.827 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 2.148 1.270 -0.392 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 -0.360 -4.125 -0.418 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 1.713 -13.228 -4.448 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 -0.329 1.005 2.735 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 -4.293 7.845 -2.496 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 -7.829 4.816 -8.558 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 -18.699 -5.381 -4.022 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 -6.675 -0.787 -2.717 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 0.369 -16.979 3.601 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 -15.476 -6.465 17.719 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 4.402 -5.483 -0.394 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 -2.387 10.479 16.454 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 2.202 -6.300 9.776 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 5.719 1.770 -5.830 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 6.543 3.856 -2.686 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 10.216 -2.693 4.651 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 -1.288 -0.899 -2.227 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 5.260 10.517 8.513 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 4.728 -16.742 -11.753 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 0.562 -0.766 2.969 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 2.370 -12.896 -15.868 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 -10.503 18.705 9.497 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 -3.942 3.472 -1.936 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 -18.336 -1.954 7.129 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 -6.189 5.792 -13.507 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 -2.874 -3.276 1.064 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 15.814 -33.266 -15.233 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 11.071 -11.745 -12.932 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 -9.115 1.295 -3.603 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 -17.484 1.579 -6.424 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 -3.654 2.285 -15.242 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 -2.869 1.434 0.668 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 1.777 3.717 -7.471 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 -1.807 -10.715 -1.844 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 -1.005 1.067 1.274 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 -1.815 -0.347 0.240 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 -0.748 0.140 0.747 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 5.086 -5.393 5.357 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 -14.760 14.748 -2.286 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 25.594 -0.610 -9.716 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 -1.429 6.792 2.409 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 3.834 4.233 -1.716 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 0.014 5.965 1.111 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 1.182 8.127 -3.425 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 -13.980 -4.958 15.533 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 -4.369 9.754 -7.440 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 -2.111 -1.854 1.332 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 -3.989 17.112 1.872 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 -5.494 -12.398 -5.381 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 1.607 2.512 -3.700 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 8.796 -0.138 -7.233 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 0.374 -0.227 1.837 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 -0.917 -1.256 2.941 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 -10.857 8.050 -2.866 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 7.903 -13.553 -6.674 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 -0.328 2.240 1.303 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 6.126 -7.533 3.654 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 8.070 2.161 0.807 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 7.232 0.952 3.709 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 18.010 12.439 -11.960 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 -1.488 -11.131 -13.871 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 -4.117 10.235 1.390 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 -3.201 10.505 4.376 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 1.434 -9.966 -7.771 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 -5.878 -6.182 -0.889 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 12.715 10.960 3.797 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 -13.267 -17.524 0.796 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 2.560 2.120 1.654 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 -0.913 4.454 -1.891 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 2.426 -1.405 -0.379 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 -0.569 -5.012 -1.998 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 2.659 1.065 4.544 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 13.907 -19.380 10.819 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 0.827 -9.882 -6.108 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 1.551 -2.925 0.670 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 -14.835 -0.169 -14.963 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 -0.426 -0.873 -0.729 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 11.764 -0.004 -16.120 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 0.190 16.429 3.970 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 -0.183 -3.656 1.192 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 6.141 -4.462 6.139 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 -10.188 -5.013 -0.621 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 -0.436 -2.853 -1.327 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 4.992 -16.882 0.259 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 6.229 13.161 9.442 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 -1.567 -13.152 -3.122 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 -6.157 -36.024 -13.170 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 2.689 -1.094 2.556 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 3.422 -1.514 1.945 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 10.862 -16.199 -14.158 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 5.890 -8.038 27.169 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 2.055 -3.521 -0.330 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 -15.738 12.670 2.658 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 4.545 14.284 -9.049 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 -7.443 6.359 2.254 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 -5.123 24.368 -7.930 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 -22.645 -2.969 -9.751 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 1.016 10.710 0.840 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 -1.035 -8.758 -3.632 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 -3.901 20.782 -0.924 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 -3.367 -7.177 8.555 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 15.889 -10.287 -2.525 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 -1.510 -6.784 6.726 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 -2.446 -0.650 4.553 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 1.092 13.601 6.838 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 5.870 7.049 4.266 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 -2.825 7.799 0.966 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 -10.594 8.509 -8.688 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 -10.934 -5.157 6.850 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 1.587 3.583 1.272 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 3.556 2.110 -35.758 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 9.466 18.094 13.250 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 1.483 -2.852 1.081 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 1.216 -16.690 -4.893 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 11.235 21.301 5.808 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 -1.048 -1.590 3.051 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 -6.695 7.224 -20.523 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 -5.971 3.135 4.437 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 5.083 -2.664 -0.558 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 -2.653 23.232 4.596 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 -9.810 -19.726 15.993 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 -2.470 1.592 -3.334 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 -4.240 -5.067 -8.056 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 -9.886 -4.547 -5.622 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 0.337 -2.053 1.347 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 -14.792 -46.745 1.000 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 -4.905 3.680 40.921 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 -3.982 -0.343 1.661 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 -19.633 -3.800 0.042 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 6.812 14.091 8.501 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 0.644 -5.524 5.065 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 -8.528 -4.468 3.748 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 -7.655 -16.632 -0.696 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 -1.980 -5.240 -3.392 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 -9.353 -12.750 14.291 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 0.733 -9.038 11.052 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 -2.066 -7.235 -7.146 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 -17.001 -1.850 -2.252 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 -6.374 3.830 -10.833 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 0.216 6.650 -1.062 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 3.616 3.716 0.020 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 10.831 -11.079 3.148 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 1.398 0.947 1.244 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 -6.673 4.878 6.171 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 8.886 -3.806 -3.170 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 6.306 4.542 -1.408 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 3.206 6.948 13.691 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 4.067 4.752 -11.277 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 -4.721 -0.004 2.971 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 0.095 3.920 3.151 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 12.834 14.940 3.552 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 0.719 8.127 -0.008 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 -0.877 2.183 -0.669 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 -5.231 10.831 -0.781 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 3.738 -7.498 1.929 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 5.158 -28.597 7.818 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 18.911 6.372 -5.717 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 -0.163 -1.422 3.571 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 24.608 -11.853 -6.275 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 2.725 6.101 12.398 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 0.343 -1.261 -0.320 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 3.808 -16.907 6.471 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 -3.286 -8.571 14.432 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 1.495 1.067 0.551 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 4.621 6.878 11.743 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 15.689 -11.116 -2.492 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 -5.699 -3.908 -0.802 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 -4.994 -1.809 5.771 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 -3.193 -13.902 5.267 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 2.508 -1.952 -3.686 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 8.543 -6.534 3.639 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 0.030 -2.049 5.806 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 0.561 -3.836 0.027 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 8.158 6.735 -20.656 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 -3.445 -12.288 13.690 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 3.903 -0.253 -0.624 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 -0.862 -13.739 -14.533 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 5.995 -4.192 -12.178 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 2.870 2.715 1.825 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 -11.245 11.436 -5.293 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 -0.675 -0.557 -1.424 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 -2.359 -2.393 4.122 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 0.619 4.611 19.178 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 -5.636 1.744 3.473 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 0.388 -0.109 -3.710 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 -12.244 -6.530 -0.493 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 6.159 -0.502 -4.301 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 -1.372 -0.818 -3.268 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 -3.129 -13.253 -5.778 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 -9.937 -0.641 -8.460 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 3.707 -2.959 -8.195 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 0.369 -7.275 -17.556 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 -5.619 -15.650 -9.503 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 0.490 2.206 0.006 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 14.821 -3.180 2.188 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 -8.491 13.158 -0.148 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 0.903 3.972 1.833 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 -1.820 -1.952 -5.396 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 22.451 16.743 31.164 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 1.542 1.112 -1.863 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 -22.658 -1.472 -3.105 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 12.140 -4.863 -19.490 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 -0.558 -3.108 2.870 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 0.146 -4.584 3.699 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 -0.738 -5.482 13.347 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 0.708 2.707 -1.510 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 0.169 -9.260 -13.168 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 13.634 3.054 4.545 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 3.518 -0.777 3.323 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 -10.975 -13.905 12.942 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 -11.001 -1.333 -1.514 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 -1.911 1.346 -0.984 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 -2.425 -5.111 -8.795 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 15.751 9.579 17.397 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 2.253 1.679 -3.344 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 -20.278 5.136 4.243 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 8.313 5.133 12.188 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 6.122 -1.528 0.093 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 -3.030 -6.386 3.627 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 20.324 -21.124 7.046 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 1.829 2.975 1.618 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 14.425 -1.387 3.369 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 17.905 26.180 16.703 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 8.035 0.899 -0.811 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 8.933 -4.270 1.680 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 16.051 -12.901 -1.723 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 3.361 0.231 -1.879 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 3.375 7.456 -27.552 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 20.298 -14.733 23.438 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 -1.612 -1.004 -4.935 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 -23.756 -12.241 4.424 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 -7.480 -19.449 -6.706 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 5.685 5.837 -2.272 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 10.427 2.825 -9.905 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 12.005 7.170 3.201 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 -3.586 -5.720 -5.398 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 -8.548 2.367 -21.187 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 -0.935 -17.360 1.372 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 -3.215 -2.822 -2.810 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 -13.856 0.107 -17.061 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 -2.032 -21.379 10.365 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 1.869 -2.365 0.734 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 -21.430 -0.415 11.738 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 0.167 -3.337 9.255 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 2.114 -0.728 0.931 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 7.679 0.289 -2.363 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 8.506 -0.213 13.210 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 1.876 -0.377 2.725 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 -6.377 -14.637 6.257 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 5.622 -1.770 -2.251 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 3.412 7.500 6.338 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 5.974 14.027 6.142 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 1.895 6.359 12.541 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 4.960 1.186 1.625 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 -7.446 11.914 -5.608 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 -11.853 -1.843 -12.039 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 -3.276 3.166 -4.225 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 -4.520 -1.882 1.926 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 -1.441 20.032 -23.925 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 5.259 2.624 -1.820 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 13.231 1.070 -12.952 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 -0.099 -4.338 10.718 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 1.413 -3.512 3.545 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 2.168 -7.005 -5.565 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 -3.772 -10.014 6.759 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 4.643 -2.930 2.926 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 5.917 -2.011 5.737 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 1.718 -4.910 1.924 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 2.740 0.561 -1.073 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 0.964 13.907 10.092 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 3.591 8.553 6.092 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 -2.750 1.335 0.314 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 -14.277 12.700 -0.952 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 1.016 -2.804 -38.035 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 3.680 -1.912 1.090 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 15.801 32.318 -0.489 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 16.693 21.834 5.201 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 -1.042 2.990 1.312 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 4.072 3.821 4.897 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 -2.243 -10.391 -19.090 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 -1.737 -2.088 -3.874 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 -5.185 -9.121 -6.485 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 -3.734 -14.559 -7.507 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 3.174 1.472 -0.236 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 5.123 -10.434 -3.333 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 9.441 6.014 15.076 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 1.400 7.580 -2.928 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 4.769 -9.093 -2.990 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 12.963 17.987 2.408 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 -4.870 5.736 1.708 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 -10.980 -2.913 9.496 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 8.400 -0.626 6.853 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 -1.186 -0.761 0.479 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 -0.203 11.820 0.812 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 1.791 -3.126 -11.051 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 -2.913 2.182 -3.130 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 -5.012 15.108 -2.320 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 2.496 -7.138 2.114 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 5.890 5.929 4.829 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 -1.904 22.092 27.174 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 -11.571 -10.587 13.145 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 0.673 -2.924 -0.785 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 1.915 -7.646 3.272 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 31.425 24.988 7.236 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 1.987 -0.372 4.913 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 0.053 5.118 5.832 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 2.544 16.067 8.908 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 -1.050 -6.144 3.454 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 16.431 -4.787 -17.702 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 15.183 -2.278 -5.754 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 2.848 -3.970 -5.307 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 -8.065 7.044 -1.442 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 15.490 6.243 7.948 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 3.402 -3.526 0.416 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 -2.221 7.952 15.037 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 13.859 11.860 -11.500 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 -8.616 7.696 5.587 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 -15.086 4.078 -2.902 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 -9.609 15.042 -4.781 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 6.579 -4.734 2.386 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 -16.332 10.222 17.623 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 -32.685 1.920 -5.176 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 -3.271 -3.794 1.694 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 -3.875 -1.588 -3.478 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 -1.045 -2.239 5.483 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 1.082 -2.914 -6.875 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 -7.677 -15.499 -22.690 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 -18.084 13.072 10.576 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 4.965 4.588 7.440 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 -0.950 3.119 10.395 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 14.538 5.042 2.145 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 -0.600 0.722 -0.468 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 -2.812 19.281 -14.764 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 17.289 7.448 -2.598 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 -3.378 3.594 -2.410 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 6.662 -9.598 0.293 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 -17.625 -0.227 0.114 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 -5.804 4.655 -0.100 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 -7.471 4.231 -14.866 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 -15.664 -2.926 2.603 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 -3.068 -2.103 0.681 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 0.885 -6.340 19.110 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 7.096 1.208 -0.542 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 0.206 -1.233 3.404 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 -8.822 19.134 12.316 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 -1.429 2.953 5.155 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 -11.393 -8.195 -1.177 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 -1.603 8.825 -9.022 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 11.085 -11.921 -26.558 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 3.148 -1.143 -2.359 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 23.810 18.358 -27.368 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 40.377 -17.903 -1.453 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 -7.904 3.881 1.367 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 -15.004 -1.743 34.488 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 5.105 -26.393 -9.267 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 -4.397 1.783 3.252 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 -8.696 1.539 4.702 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 -25.595 -23.858 -5.822 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 -6.505 -2.983 -5.876 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 -6.724 -9.607 -0.528 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 -12.578 28.726 0.594 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 3.066 1.961 1.323 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 3.906 -7.364 -17.185 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 0.582 12.764 14.085 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 -5.088 -0.268 -1.577 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 -5.171 7.446 1.157 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 5.475 -14.498 9.844 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 -3.238 3.700 1.417 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 7.598 -16.079 0.231 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 -2.259 -5.111 10.886 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 2.467 -1.906 -1.647 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 22.316 -11.884 -9.932 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 -1.763 0.276 1.764 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 2.852 3.285 6.511 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 12.080 -10.876 -4.868 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 -17.173 4.302 -12.265 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 -4.048 -0.703 -6.655 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 12.033 -8.926 -5.727 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 -4.642 1.915 4.780 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 -0.621 -3.072 -2.909 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 6.751 8.722 7.673 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 -20.278 -15.700 16.818 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 1.652 -5.942 -4.282 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 -7.806 -17.270 -0.320 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 -10.146 6.847 -12.342 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 6.211 -6.506 7.934 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 15.398 -4.815 -14.335 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 -20.873 -1.213 9.837 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 2.178 7.211 4.778 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 -27.611 -6.001 8.439 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 2.602 -23.168 -22.986 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 1.558 -0.955 -4.437 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 -13.024 32.358 -2.035 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 -0.523 4.269 -3.117 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 -5.372 -0.132 -2.347 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 -9.411 15.532 -2.934 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 -15.718 9.479 -3.069 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 1.699 -0.843 1.191 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 5.686 5.626 9.400 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 5.314 3.900 7.796 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 2.670 -8.308 -2.593 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 -2.802 -6.657 -5.460 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 6.148 -27.660 -0.299 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 -1.730 1.877 5.366 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 4.303 12.605 2.175 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 2.103 -11.787 8.084 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 0.321 -2.695 2.350 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 0.648 -0.580 -9.782 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 -10.698 -1.001 17.407 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 -0.568 2.307 -2.097 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 -6.022 9.702 -9.039 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 2.895 9.873 -5.650 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 -2.662 -6.315 0.615 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 7.662 7.319 12.687 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 3.623 13.769 5.935 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 1.409 -0.878 0.384 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 7.112 22.882 -12.539 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 -26.224 -7.667 -6.901 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 -1.056 -3.519 3.282 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 -6.578 -3.126 1.496 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 0.795 -8.617 1.518 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 -4.750 2.735 -1.153 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 12.406 -12.590 7.015 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 6.197 27.805 -3.407 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 -1.871 -0.101 1.491 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 -11.673 2.285 -6.555 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 -18.108 -5.304 -6.052 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 4.287 -1.333 -7.143 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 1.083 -12.513 5.864 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 2.494 -16.805 -10.368 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 -3.386 -3.993 3.505 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 2.983 3.782 -6.517 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 -6.172 -10.876 -19.264 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 -7.715 1.161 -4.003 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 4.312 -5.660 -4.437 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 -9.931 -23.445 3.535 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 -2.589 5.704 -3.511 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 12.999 11.911 -11.394 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 12.484 19.298 -28.158 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 1.133 5.500 -1.125 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 5.412 -7.459 4.374 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 0.975 14.875 -10.675 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 -1.438 5.158 -0.886 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 3.935 0.498 -2.866 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 8.511 4.178 13.183 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 3.092 -7.417 -0.763 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 3.532 -6.628 -0.138 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 12.255 -2.568 1.322 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 0.155 2.057 0.197 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 -11.985 13.430 -2.749 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 -8.470 1.323 -10.037 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 3.134 0.669 1.620 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 -15.650 -7.661 25.992 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 21.957 -16.475 -8.893 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 -1.646 0.515 -4.520 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 -0.562 4.277 -6.665 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 -4.850 -1.113 -5.032 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 5.549 0.128 -0.396 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 20.961 9.824 12.869 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 -0.564 27.822 -1.221 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 -1.907 5.082 0.758 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 13.181 25.838 10.911 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 -2.648 -10.659 13.133 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 -3.840 0.501 -6.434 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 1.327 -19.923 -9.401 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 7.684 -6.741 -20.041 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 -3.997 8.255 -2.392 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 4.943 -7.817 -11.987 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 -12.791 -7.147 17.247 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 1.578 0.762 3.702 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 1.305 11.191 -15.160 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 -15.548 6.870 13.445 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 0.797 -0.381 0.241 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 -2.137 10.010 0.767 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 -35.430 32.270 -1.873 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 3.951 5.851 3.378 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 -17.796 12.612 -7.433 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 8.295 2.515 -11.029 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 -1.757 9.378 -3.464 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 -5.700 7.904 0.501 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 -5.983 9.306 -2.907 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 2.973 -2.283 -4.761 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 -15.236 -3.937 -5.711 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 -0.750 -2.436 -4.389 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 0.571 1.591 1.060 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 12.281 16.759 -11.765 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 -11.461 7.364 -2.769 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 2.648 -5.511 -2.011 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 -16.993 -12.312 -9.903 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 2.223 -8.570 -11.914 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 -5.499 -1.341 4.368 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 -5.726 8.165 8.757 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 -3.609 -0.038 -4.508 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 0.250 -3.013 1.152 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 4.418 -0.872 4.825 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 7.734 -6.598 2.376 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 -2.170 4.251 -5.763 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 -12.995 6.993 -17.094 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 1.592 14.456 10.697 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 -0.443 -1.657 3.769 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 15.235 3.793 -8.847 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 26.680 7.474 -7.615 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 -0.212 -4.294 -4.597 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 7.447 -6.371 5.747 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 3.341 -4.761 -8.429 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 2.184 3.778 4.738 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 -1.673 10.281 1.437 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 -7.510 6.711 28.455 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 6.539 -2.198 -0.886 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 -0.307 -0.637 -3.194 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 9.819 -13.357 -14.079 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 -4.876 0.273 -5.307 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 -16.719 9.014 -8.234 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 -9.387 7.057 -8.245 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 3.846 3.010 -2.985 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 0.913 -9.573 -1.505 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 11.156 10.436 -15.003 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 -2.458 -2.342 1.985 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 5.294 2.966 -8.217 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 -13.595 10.315 5.588 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 4.504 -6.494 1.229 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 -3.688 -11.341 -2.538 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 1.633 -0.980 7.500 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 3.254 -3.569 5.954 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 -2.810 -6.393 3.669 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 0.652 -4.812 15.190 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 -7.021 -0.527 -1.156 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 3.925 -11.277 -2.129 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 2.486 -5.192 -4.010 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 -2.581 -4.042 -5.392 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 1.964 -12.899 -9.323 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 7.903 -3.237 13.588 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 -1.614 -1.945 2.803 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 17.549 -30.697 -21.115 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 23.491 -27.666 -4.483 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 -0.060 5.695 7.644 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 4.804 -3.692 7.999 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 12.617 10.252 8.590 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 1.901 -4.772 0.093 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 -8.377 -6.610 -13.108 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 12.335 -16.613 0.227 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 -1.522 -2.583 -2.625 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 1.706 9.045 -10.634 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 -6.693 2.338 6.270 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 -5.357 -0.487 4.353 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 9.322 6.028 -14.233 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 -33.986 4.817 -4.298 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 -1.113 3.335 -2.757 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 -16.368 -15.872 -3.191 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 14.930 -0.959 -21.661 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 12.288 -0.819 1.292 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 24.868 -8.191 3.440 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 -18.794 0.858 14.828 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 -7.140 8.254 -7.915 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 9.513 18.793 -4.606 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 8.276 9.144 1.531 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 -2.164 -2.875 2.233 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 7.161 -8.575 -3.379 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 3.054 4.086 16.957 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 -4.761 4.342 -1.758 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 -12.577 -5.303 -20.529 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 -8.419 -7.038 23.206 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 0.092 -1.708 5.051 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 8.485 12.311 2.019 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 5.895 7.379 -4.949 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 0.299 4.369 2.609 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 15.875 7.797 10.480 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 10.449 -0.632 10.261 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 0.892 0.569 3.768 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 8.601 -0.136 -1.486 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 21.119 -4.958 -11.216 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 3.344 -0.368 0.704 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 8.329 4.556 -6.274 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 -4.077 5.154 7.727 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 6.421 5.834 -3.533 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 14.162 -4.070 -6.469 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 5.939 2.308 8.644 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 -6.712 -3.136 -8.032 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 -18.649 -10.653 -22.030 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 -4.871 0.251 -7.188 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 6.222 0.165 6.164 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 9.571 3.676 -29.348 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 -10.699 -1.234 0.766 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 0.458 0.762 -1.380 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 33.565 -22.017 15.085 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 0.532 1.899 -0.473 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 5.601 -3.527 -2.879 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 15.675 11.024 -3.519 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 -6.026 -9.564 -2.514 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 -0.425 -1.438 1.133 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 6.659 -2.491 0.687 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 6.381 -9.048 -0.863 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 0.562 2.644 5.032 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 -19.463 -5.997 19.327 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 -15.749 7.487 0.639 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 2.418 -4.998 -5.019 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 -13.689 -7.302 -3.694 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 0.494 -19.421 11.682 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 2.330 -2.307 -1.760 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 -13.879 5.255 7.175 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 14.116 3.479 -8.328 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 0.803 0.932 5.619 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 3.056 -7.103 7.595 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 -6.536 -1.776 -7.535 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 2.830 4.810 -2.263 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 -1.538 2.249 -5.257 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 -3.277 -3.059 6.227 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 -5.059 0.406 2.525 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 7.047 -5.489 -5.355 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 15.759 13.662 0.801 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 0.640 4.281 0.717 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 -12.286 6.241 -1.315 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 -2.179 -1.778 -22.610 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 -5.158 -0.140 3.849 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 -13.502 -8.746 10.133 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 13.151 -12.143 -3.567 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 3.041 1.189 -4.701 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 -15.431 -13.536 -11.079 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 8.560 5.152 -9.381 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 4.361 -3.766 6.671 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 22.066 -4.171 6.621 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 -13.145 -5.020 24.938 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 1.427 0.973 2.093 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 -10.292 -21.905 -4.149 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 32.456 -19.403 13.647 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 5.030 -9.065 4.363 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 -8.968 5.492 -15.830 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 1.880 -6.704 4.976 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 1.840 -1.566 1.978 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 2.349 9.814 -6.363 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 3.959 -0.668 2.569 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 -2.358 -2.266 -0.599 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 0.928 4.416 -12.720 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 -6.563 -4.174 -6.295 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 -2.229 -2.445 -3.959 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 3.646 25.523 -25.713 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 -15.102 -2.483 -2.694 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 1.114 5.645 -0.855 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 -0.848 0.192 1.831 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 7.136 4.603 1.144 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 1.177 -2.719 -1.855 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 6.167 6.815 -12.754 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 1.753 -12.302 -4.864 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 -2.868 -6.710 4.691 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 -10.128 -5.237 -9.857 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 -6.255 -3.728 -6.596 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 -0.192 -0.542 4.913 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 -3.898 -6.379 3.235 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 -2.931 4.141 8.077 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 5.681 0.339 5.446 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 -2.193 -1.535 -12.569 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 2.725 19.851 5.038 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 -0.547 -2.339 -2.037 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 3.818 -11.359 -12.070 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 1.645 7.928 7.800 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 5.224 -5.558 12.233 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 -14.812 11.055 20.954 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 6.886 9.769 5.058 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 3.971 -0.765 1.822 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 1.883 2.364 -16.322 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 21.591 10.338 12.651 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 3.773 -5.702 -2.174 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 -1.057 13.701 18.235 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 5.569 -3.220 -14.490 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 -2.997 -0.559 3.786 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 -14.476 -1.873 2.451 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 -0.607 7.556 -3.841 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 -6.326 7.967 -1.055 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 -10.085 12.523 -8.043 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 -7.408 17.525 1.689 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 2.875 0.319 -0.460 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 -4.004 10.587 -10.643 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 -10.247 -12.287 -1.915 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 0.525 -6.955 2.978 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 4.036 -7.651 15.718 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 -2.899 -15.950 3.166 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 -2.914 -11.843 3.667 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 -3.950 2.772 -4.473 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 -15.945 -2.896 16.338 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 0.221 -2.182 2.463 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 -11.589 21.263 -2.321 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 -11.275 17.580 1.815 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 -0.562 3.575 -4.156 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 -2.973 1.770 2.443 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 -6.224 6.054 -9.136 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 3.537 -1.615 1.410 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 14.985 10.842 -9.246 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 6.090 -6.174 -10.138 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 -8.146 6.812 0.355 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 -1.397 3.577 -2.815 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 -7.453 -1.177 -32.589 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 -2.333 -3.085 1.370 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 -3.179 -20.104 13.828 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 -13.260 10.051 14.730 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 0.819 1.667 -9.559 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 -9.348 5.819 -11.049 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 -1.264 -6.430 -4.940 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 -7.166 -3.390 1.793 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 -21.505 30.558 -16.900 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 -8.205 0.488 -7.475 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 1.604 -4.917 0.410 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 2.356 -11.088 -4.136 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 -0.231 -2.153 1.945 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 2.497 -5.402 -12.699 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 17.951 -13.916 -15.128 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 -7.645 -1.083 -21.057 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 -1.027 -1.732 1.616 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 10.880 -19.685 9.423 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 -12.885 -7.411 -19.616 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 -0.963 2.029 -2.111 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 15.517 1.917 2.825 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 5.627 2.445 -1.132 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 -1.119 5.454 4.438 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 1.759 -1.912 -0.689 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 -3.502 3.154 11.746 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 -5.726 1.659 2.536 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 -1.866 -19.442 7.900 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 4.508 -6.388 1.906 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 4.931 0.899 -0.629 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 2.222 -0.886 -7.246 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 2.605 -0.936 -5.034 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 3.223 -6.587 -5.625 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 -3.914 22.067 41.441 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 -36.072 2.492 0.593 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 -1.661 0.934 -1.664 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 3.146 -3.572 7.091 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 11.350 5.867 1.382 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 -0.788 -3.993 -7.233 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 -15.578 -7.004 4.966 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 -6.692 -3.274 4.087 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 3.301 0.588 6.523 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 -2.035 9.912 9.140 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 2.288 10.962 6.687 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 -3.453 3.610 1.086 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 -2.758 2.011 1.564 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 -8.254 1.588 2.607 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 -3.361 0.826 8.685 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 32.253 26.181 3.145 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 -10.062 20.229 -17.856 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 -0.753 2.054 -4.444 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 -6.712 -10.170 29.115 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 11.324 7.146 6.931 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 -4.991 1.300 -5.206 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 11.537 -1.285 10.274 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 -6.203 -34.974 -3.006 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 -1.181 -3.413 -1.480 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 -1.905 5.600 6.021 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 -1.592 -13.897 2.875 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 3.366 -0.522 -3.749 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 21.712 10.396 -15.190 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 11.232 10.468 8.651 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 -2.284 -1.445 1.126 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 -21.436 -10.965 14.279 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 17.526 -2.999 21.292 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 -3.027 0.539 2.722 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 12.864 4.549 -3.681 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 -19.860 -1.722 -11.138 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 2.118 0.932 -0.272 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 -2.029 -2.149 -15.514 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 2.291 -1.453 1.283 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 -4.570 0.491 -3.099 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 -9.535 -15.654 -6.708 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 15.866 9.461 -1.738 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 1.267 -3.172 4.730 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 5.994 -12.521 -16.411 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 2.989 -15.722 -10.305 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 -1.893 5.160 3.983 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 15.017 5.336 -0.887 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 12.217 -22.314 -1.282 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 -2.515 -2.849 -6.986 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 0.979 1.481 1.091 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 -9.255 -15.710 -8.634 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 2.934 -4.329 1.350 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 17.455 -9.785 -0.953 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 13.260 14.384 -16.303 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 -3.522 3.749 4.225 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 -0.592 0.270 1.834 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 -6.185 10.088 15.191 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 -1.367 0.583 -4.708 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 3.775 2.292 2.257 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 8.674 1.712 13.698 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 1.613 1.708 8.070 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 12.968 12.589 5.342 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 -6.113 -12.718 -0.519 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 -1.101 -2.416 -2.300 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 2.996 -4.894 4.744 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 8.201 -8.481 15.291 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 3.331 -1.420 0.691 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 2.257 -3.798 -5.567 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 4.697 -1.890 -0.213 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 0.783 -8.921 -3.426 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 -10.047 -1.547 -11.868 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 7.900 -5.975 1.170 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 -5.230 2.166 -0.625 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 -14.034 -18.331 -8.727 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 -4.841 -3.895 15.855 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 -1.495 -4.046 -4.273 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 10.969 -16.574 8.244 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 18.888 13.459 5.793 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 6.699 -1.546 -6.094 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 5.967 -12.373 -33.326 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 0.075 -5.336 -1.836 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 -5.735 -2.101 -3.470 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 1.677 1.527 -9.561 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 -3.592 1.539 -3.965 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 2.341 -3.089 5.768 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 -16.307 4.237 -7.971 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 6.892 -7.556 -12.495 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 -2.623 -5.077 1.459 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 -20.993 -10.645 3.147 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 5.741 1.733 3.518 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 -1.270 -4.602 -3.608 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 21.204 -4.226 1.368 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 14.892 -3.449 -1.168 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 4.021 -1.356 -1.684 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 10.831 0.628 -3.591 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 -6.720 -5.088 0.827 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 0.513 -3.573 -3.114 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 3.490 -4.737 10.291 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 9.879 -15.288 -2.309 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 -1.200 7.749 -0.739 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 -5.286 -5.492 25.275 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 -0.233 13.235 -12.252 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 -0.169 2.653 -1.031 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 1.278 3.104 1.410 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 -15.631 13.277 0.291 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 -3.558 0.999 -1.137 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 5.641 -1.214 -5.686 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 -4.527 -5.379 7.213 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 -0.051 -2.161 -3.148 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 -2.455 -1.298 -5.950 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 1.386 3.331 -5.760 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 -7.372 1.672 -0.124 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 -7.661 5.489 20.559 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 -4.192 1.864 29.601 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 0.327 -0.339 7.302 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 5.707 0.915 3.925 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 -8.029 2.286 6.763 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 0.307 0.386 -7.142 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 -3.697 7.144 -15.348 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 3.773 -5.477 -0.660 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 -0.404 -6.823 0.416 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 7.186 4.644 7.392 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 11.475 -3.437 1.002 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 -4.004 2.432 0.979 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 17.121 -0.316 -14.746 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 4.166 -4.336 17.120 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 -0.789 -1.260 3.114 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 12.451 -2.319 9.486 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 -5.166 -5.462 14.359 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 -0.094 7.522 -0.355 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 3.265 1.507 -12.373 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 0.146 3.495 5.128 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 3.319 -4.536 0.666 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 -2.652 -8.566 5.410 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 -25.141 14.843 24.268 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 4.887 -1.100 -1.633 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 4.646 -2.797 0.091 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 4.375 3.882 -2.618 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 3.535 2.337 -1.485 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 -4.851 10.253 17.838 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 2.361 3.860 21.579 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 -1.079 -6.078 -2.179 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 10.191 -7.026 -0.733 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 20.338 -5.939 4.038 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 -1.120 -2.462 -8.183 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 7.648 -3.098 8.361 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 3.608 -1.181 6.207 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 0.955 0.319 -2.845 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 10.951 3.012 -20.202 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 -7.930 -4.125 6.903 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 -0.032 0.008 -4.038 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 -2.992 -4.725 14.924 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 4.035 -6.345 23.320 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 -2.917 -0.328 0.286 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 -3.257 11.267 -3.567 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 3.538 7.493 12.740 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 0.334 -2.857 5.178 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 0.776 -0.957 0.055 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 -7.735 -8.159 19.680 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 -1.857 -1.174 3.157 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 -7.857 3.564 6.581 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 2.454 11.823 6.383 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 2.877 -1.071 -0.974 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 21.894 12.123 -16.741 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 -3.100 -6.323 5.551 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 1.474 0.318 1.504 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 -2.946 -5.617 11.023 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 0.785 -0.161 -10.735 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 -1.547 -3.434 -2.015 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 -28.424 19.948 -11.213 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 -2.243 -13.284 -15.038 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 4.279 -3.313 0.376 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 3.686 3.997 -6.386 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 -3.557 -7.099 1.111 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 -5.040 0.688 4.812 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 -6.494 5.092 18.104 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 -2.524 -1.883 1.639 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 -2.260 -0.965 -2.441 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 -2.393 15.658 1.605 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 -16.781 -8.335 -7.932 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 0.015 0.076 -0.984 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 2.904 -0.926 -3.008 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 6.020 -0.921 -3.359 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 -5.714 7.117 1.506 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 31.468 -5.435 -8.046 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 -13.216 -8.263 15.940 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 1.424 1.932 4.117 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 8.387 -7.530 25.508 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 -13.369 -20.399 -5.641 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 -3.525 3.349 -3.453 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 -13.313 12.936 -12.817 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 -2.709 8.082 3.488 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 2.747 -5.531 -7.509 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 -3.827 -5.337 0.178 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 6.389 1.535 -2.518 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 -3.797 -6.932 3.686 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 -15.486 -2.520 -5.080 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 -5.617 -26.407 1.877 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 -1.092 1.928 -4.453 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 -1.127 -2.861 -13.356 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 5.207 -19.458 3.891 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 -3.067 2.642 -0.176 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 6.459 -3.761 -14.675 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 -17.975 12.407 23.959 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 -3.971 3.468 -2.145 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 3.845 -3.224 -2.890 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 -11.199 3.678 -7.563 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 0.007 0.215 5.164 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 -13.120 12.371 -4.133 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 12.697 -7.512 7.344 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 2.602 5.746 2.704 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 -26.558 -8.262 10.668 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 -35.434 -17.043 18.251 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 7.073 0.882 -2.732 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 -18.411 -14.016 -19.821 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 14.713 8.929 1.889 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 2.526 -5.467 -1.987 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 18.467 -0.724 -5.034 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 1.954 32.211 -9.025 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 1.488 2.212 -1.191 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 0.912 -12.838 -3.530 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 -5.066 0.781 -3.164 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 -5.269 -3.115 2.568 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 -9.950 8.926 5.706 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 -7.900 -0.423 -5.358 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 -2.414 4.021 4.022 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 -6.432 -6.045 21.291 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 -11.472 20.189 -4.426 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 10.947 2.352 -2.331 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 11.896 8.716 -1.213 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 16.073 -0.646 -4.372 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 5.220 4.074 -3.813 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 8.722 3.608 -15.298 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 1.062 4.768 -6.019 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 -0.023 0.310 0.922 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 -2.308 0.936 -3.895 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 -39.821 41.006 8.054 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 -5.838 -1.494 4.088 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 -6.193 1.630 4.121 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 -4.729 -2.413 3.946 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 3.496 3.972 2.834 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 11.753 -2.291 -7.002 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 -6.662 10.980 15.232 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 0.820 1.800 -0.123 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 -11.723 -17.843 5.355 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 -0.092 15.982 -1.992 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 9.694 -4.985 -5.651 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 12.234 -4.370 -6.290 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 9.226 -8.553 -3.720 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 4.563 3.686 3.598 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 -15.715 -9.590 -28.266 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -5.345 35.928 5.318 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 -2.207 5.585 -2.240 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 14.063 4.496 5.396 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 -10.257 17.501 23.611 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 -6.491 1.020 -0.241 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 -6.099 -4.036 -7.658 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 -7.998 -26.288 11.894 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 -1.204 8.424 0.139 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 -6.776 -1.937 -7.343 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 2.872 -15.085 -3.770 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 6.193 -1.556 -0.327 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 6.899 -6.169 20.257 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 0.478 21.880 3.148 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 -4.369 1.757 -0.925 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 -6.687 -3.024 -4.979 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 -5.732 0.025 -18.376 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 1.588 -0.005 3.273 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 21.002 -6.571 17.709 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 10.992 -17.977 -12.111 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 -3.541 -2.065 -0.373 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 -2.096 12.134 1.199 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 -5.113 -18.452 -17.817 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 -1.118 6.525 -0.718 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 -11.858 -5.238 -13.115 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 -0.456 0.146 1.356 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 -1.340 -3.370 5.914 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 1.308 7.301 3.240 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 -0.555 -6.987 18.783 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 1.853 -0.511 -2.092 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 -10.591 -12.393 -30.768 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 3.688 10.704 1.384 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 -8.002 -4.521 3.096 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 -12.192 -0.123 6.855 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 -7.255 -12.383 5.224 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 -2.798 7.159 -3.456 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 -7.654 1.386 -1.843 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 0.494 10.759 -5.306 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 -7.484 -5.704 -2.257 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 -25.379 -1.102 -13.287 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 4.882 -3.294 8.404 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 -1.257 5.803 -3.130 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 -7.394 9.629 -5.506 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 4.335 -14.110 -16.251 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 4.446 -3.950 -3.089 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 5.611 1.495 -5.264 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 5.771 -0.676 -7.580 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 0.160 3.681 4.077 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 -7.008 -2.455 3.987 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 1.295 5.607 3.465 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 1.807 1.715 3.113 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 -11.009 -4.384 -10.675 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 -18.528 -18.489 -12.155 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 6.497 -4.478 -0.163 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 7.873 -6.626 6.750 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 -9.515 -15.825 3.843 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 2.097 -1.203 4.705 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 1.524 -4.773 -3.893 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 -4.332 6.281 5.674 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 4.793 -8.037 -2.052 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 -14.318 9.600 -8.190 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 -6.331 -23.881 15.732 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 -0.889 -0.651 -1.286 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 -4.865 -5.710 7.006 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 23.299 8.840 -11.539 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 2.180 -0.285 -2.773 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 -3.462 -6.357 -6.601 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 2.104 10.770 -13.327 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 -1.957 -6.004 -1.203 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 -1.661 -12.281 -20.608 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 -2.285 15.892 15.279 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 0.940 3.179 -2.140 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 1.189 -14.721 -8.118 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 -15.505 -5.239 -21.438 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 -0.021 -0.996 -0.129 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 5.342 -5.344 -6.983 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 16.443 -3.746 -9.231 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 -4.278 -4.630 -2.647 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 -0.954 -23.096 -13.967 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 4.202 -7.586 30.108 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 -0.978 -6.918 9.364 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 14.674 -8.750 18.636 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 -3.066 -15.486 9.676 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 1.792 -7.012 -3.351 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 -3.453 0.916 -20.569 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 6.171 -20.747 -6.352 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 -2.781 4.405 -9.476 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 -9.542 -4.402 -9.029 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 2.494 10.763 -9.717 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 -3.787 0.349 2.625 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 -3.326 10.974 11.092 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 -1.250 -2.427 -8.278 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 -2.124 -2.632 -6.189 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 -4.026 -2.021 4.046 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 -7.496 -8.681 37.110 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 2.601 -6.710 5.384 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 5.586 7.375 5.470 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 1.876 3.330 6.740 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 1.046 5.281 -1.684 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 -9.536 -1.145 -7.891 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 12.358 4.544 -10.412 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 0.220 1.105 0.785 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 -1.147 0.768 -1.200 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 0.935 -5.549 2.225 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 4.167 1.875 0.924 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 19.944 2.023 4.746 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 9.600 -1.907 -7.925 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 6.719 1.528 3.766 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 7.130 16.697 5.755 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 1.937 13.663 5.913 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 6.507 1.587 3.664 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 9.309 -3.189 1.657 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 10.718 0.346 3.884 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 -1.991 0.683 -0.501 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 -9.568 -6.815 -0.457 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 -3.521 -5.860 5.664 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 -0.192 -4.135 4.450 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 -1.216 -0.473 -3.452 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 3.797 -3.447 14.232 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 -5.975 -0.555 3.015 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 -12.607 -20.235 4.094 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 15.874 1.034 -15.058 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 -3.727 -0.972 4.165 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 11.435 -1.618 -13.468 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 21.332 -11.667 29.202 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 4.080 0.767 1.950 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 0.333 5.985 -3.182 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 -6.199 5.454 -26.889 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 3.892 -1.127 2.450 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 1.898 1.152 0.857 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 -19.556 9.831 -5.532 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 -2.119 2.290 2.487 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 -15.994 2.804 -0.095 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 2.011 1.034 13.326 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 -1.516 -4.520 -5.313 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 -12.198 7.376 4.652 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 -29.267 -7.781 9.765 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 1.858 2.340 -5.131 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 3.762 1.075 -18.140 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 6.493 5.819 -16.922 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 -1.644 -1.727 -3.294 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 -2.830 0.174 -6.126 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 5.542 0.300 -10.084 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 -4.911 -7.871 -8.963 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 -3.884 -6.418 -3.907 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 -7.981 -0.291 -9.586 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 4.797 -5.568 1.219 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 1.205 -9.115 1.920 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 5.563 -25.412 13.354 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 -4.188 6.444 -3.387 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 10.803 -3.451 1.201 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 -14.708 -12.153 -13.730 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 -4.333 -3.229 1.290 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 -22.676 -9.615 2.166 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 1.160 -8.543 9.973 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 -4.647 8.924 5.104 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 -10.180 2.465 -0.134 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 14.050 0.320 3.748 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 3.382 -1.403 6.198 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 11.114 -2.162 -5.395 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 7.117 -3.036 -6.397 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 -7.210 -6.323 0.212 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 -0.501 -6.003 3.703 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 -0.283 -5.130 2.277 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 2.086 -0.682 -0.310 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 -15.022 11.828 -9.202 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 -5.094 8.053 8.707 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 -0.227 2.577 7.593 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 19.392 9.541 8.872 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 -4.435 1.657 5.854 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 0.498 0.481 -0.699 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 -8.660 6.210 -5.614 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 -4.464 -13.660 -14.877 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 -2.241 -10.634 -2.389 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 -4.652 -7.868 -4.364 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 3.528 -1.550 2.320 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 5.236 1.481 0.739 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 4.687 -8.498 -21.584 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 0.365 10.483 11.914 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 -5.675 -3.737 -8.804 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 -14.581 -13.016 -14.505 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 -1.017 0.837 -12.022 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 -4.052 5.752 3.841 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 15.876 1.229 -23.009 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 -9.491 18.527 4.882 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 -6.631 -4.998 1.019 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 7.399 -0.672 7.285 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 -5.094 -4.843 -16.004 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 4.233 -2.994 -3.131 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 15.937 1.871 2.726 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 12.296 10.639 -11.697 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 -0.371 -1.161 -5.870 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 -33.436 10.712 -31.529 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 14.720 3.398 5.238 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 2.153 -0.171 3.203 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 -11.872 -1.162 1.091 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 2.295 -2.776 -6.911 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 10.168 2.364 7.512 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 -3.821 4.438 4.833 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 14.705 -2.117 -7.582 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 4.687 -2.449 0.926 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 -11.513 13.608 -0.733 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 -0.781 -2.622 -3.983 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 1.633 -4.109 -1.073 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 6.409 -2.181 -5.018 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 -23.799 3.818 -10.154 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 -10.942 1.744 0.529 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 8.541 9.991 7.095 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 -11.033 -16.088 15.083 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 6.717 3.604 6.949 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 5.941 6.011 -11.675 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 14.993 -2.780 8.167 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 2.575 1.965 -4.170 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 24.730 -2.552 1.886 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 22.766 -6.117 11.026 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 4.276 3.443 2.230 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 -8.327 -18.638 -13.622 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 -13.041 10.196 19.152 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 3.158 3.365 -1.171 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 3.520 10.403 -0.677 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 18.436 -3.803 0.714 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 6.522 -6.987 6.864 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 6.255 -15.282 17.782 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 -29.976 -3.266 -11.458 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 -3.444 -3.137 0.927 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 -21.150 15.474 -5.581 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 -16.313 -2.084 -4.276 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 -2.858 3.328 4.543 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 -1.519 3.840 8.021 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 3.383 4.014 19.033 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 3.204 0.969 -4.687 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 -17.223 5.081 2.812 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 30.559 -8.596 -1.970 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 3.321 5.689 1.382 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 20.070 -6.772 12.794 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 1.648 6.564 1.568 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 -1.749 0.467 2.075 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 3.881 -17.288 -10.283 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 -1.079 -2.500 -0.028 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 -0.094 -1.597 -0.911 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 13.945 -0.280 4.656 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 -20.830 -2.179 -2.004 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 0.281 -1.151 -4.328 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 -0.703 17.292 -3.342 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 3.193 -3.687 23.868 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 -2.703 3.643 3.426 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 4.356 -3.610 16.200 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 -11.567 3.356 -2.824 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 -3.551 -0.243 5.668 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 -7.835 4.041 -7.388 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 0.263 -5.394 -8.438 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 1.233 -0.961 -1.564 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 7.580 5.135 -6.597 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 -1.422 -8.645 -8.966 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 -2.839 0.854 5.126 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 5.444 0.844 1.234 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 -0.787 10.368 14.848 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 2.256 3.172 -2.703 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 -1.028 -9.307 -2.384 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 2.993 -8.883 12.350 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 -3.411 -0.463 4.487 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 -19.435 -3.161 7.320 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 9.178 1.907 1.340 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 0.085 5.031 -1.868 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 18.433 20.146 -10.111 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 5.840 6.443 -1.052 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 -6.236 2.583 -2.580 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 -10.774 13.076 -4.688 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 1.700 -3.319 -12.319 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 -3.241 -3.238 9.025 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 0.840 -4.058 -8.597 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 -8.711 -11.012 6.133 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 -3.998 -6.889 -0.032 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 3.759 8.435 -16.915 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 1.445 -11.430 -12.264 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 4.934 -7.916 0.346 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 3.269 -7.549 -3.252 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 1.390 -8.602 1.640 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 -1.711 -2.455 6.848 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 17.158 -6.519 16.567 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 -22.224 -5.587 1.411 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 0.341 -2.550 -0.025 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 -10.584 -11.654 1.122 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 -1.082 -2.008 1.314 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 -5.448 -2.981 4.485 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 -10.091 -16.066 3.342 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 -9.059 -10.487 3.183 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 -1.158 -6.260 2.918 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 -11.051 -13.577 -2.099 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 9.114 5.373 10.433 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 2.200 0.113 1.073 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 -8.117 -1.444 -5.004 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 -12.102 -11.809 -11.739 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 0.727 -12.897 -2.434 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 4.058 -11.458 -4.114 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 13.871 5.622 4.190 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 -3.042 -4.818 -2.290 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 -16.573 16.083 -5.707 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 15.625 -8.040 -0.708 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 -1.193 2.167 3.229 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 0.603 -14.883 6.972 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 20.739 6.224 24.824 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 -2.419 3.406 2.307 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 0.850 -4.052 7.854 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 -4.205 15.902 10.786 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 -0.439 1.223 -3.814 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 2.446 6.611 -7.147 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 1.183 5.086 -22.476 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 -1.966 2.597 -2.360 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 -13.057 21.536 -3.732 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 0.568 12.341 2.233 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 -2.288 -2.463 4.605 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 -3.182 -3.082 0.621 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 1.906 -10.453 9.831 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 -4.488 1.292 0.419 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 0.513 -1.610 -8.437 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 27.211 -6.769 -16.851 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 -2.446 0.679 4.666 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 4.097 5.223 -14.942 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 -0.381 -6.923 -32.024 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 3.362 -1.026 1.931 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 -8.405 -24.784 -7.598 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 -3.284 -13.924 -7.713 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 2.786 5.660 2.210 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 6.652 -2.287 4.208 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 0.692 11.860 7.536 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 2.825 -1.980 1.658 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 9.564 9.807 0.754 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 0.724 -5.660 -1.844 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 5.113 -1.935 0.706 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 5.518 3.178 12.017 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 -7.017 -2.638 6.860 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 -3.218 6.730 2.971 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 0.622 3.488 -6.004 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 -21.120 -3.899 -6.916 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 1.508 -9.524 4.227 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 -4.862 -19.947 -6.540 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 1.069 4.913 -2.670 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 -1.925 -1.579 1.020 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 -48.634 -25.373 -0.387 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 1.636 26.884 5.792 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 0.799 1.232 -1.221 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 22.632 11.314 -17.628 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 -13.236 5.058 -16.777 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 -0.141 -1.592 0.858 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 -10.577 -20.331 21.418 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 0.314 -12.601 14.377 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 0.428 1.089 3.462 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 -4.096 -15.652 20.488 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 -2.919 16.975 -10.070 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 1.288 -4.016 -2.198 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 -6.529 -18.672 15.417 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 7.742 10.380 10.200 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -4.554 2.850 4.910 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 -18.235 -17.514 11.692 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 -4.586 5.963 1.122 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 1.231 -0.129 -1.271 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 26.645 -6.562 -1.279 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 -8.477 6.178 12.006 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 -1.497 -3.339 -5.780 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 -17.232 -10.475 -25.320 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 3.399 4.881 10.220 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 1.087 -4.714 0.378 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 8.920 -20.467 7.308 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 -1.638 -11.369 11.792 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 -3.845 3.874 -3.621 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 0.247 -0.627 -6.110 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 -6.067 15.420 10.672 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 1.527 7.573 -5.189 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 -5.896 -9.326 18.293 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 11.070 -8.951 -6.283 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 2.239 -0.842 0.476 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 15.726 -16.052 -4.822 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 1.240 12.796 -5.159 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 0.915 3.731 2.862 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 7.286 -0.699 13.727 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 16.567 -0.673 12.736 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 0.224 2.491 -2.518 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 -11.230 -10.268 0.895 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 11.885 0.918 -7.678 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 3.875 2.385 -5.755 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 -2.679 -1.337 -16.930 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 13.219 4.651 -2.020 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 0.814 -1.973 -2.453 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 -0.800 -1.072 -1.503 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 12.707 2.421 -9.886 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 1.021 -4.543 -5.739 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 -14.057 3.303 -2.209 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 -7.736 0.056 -22.780 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 -2.422 4.837 0.650 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 -10.162 -5.890 10.072 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 -9.795 7.127 -10.024 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 2.435 -10.802 -6.810 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 11.495 5.771 9.576 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 23.589 -10.651 -21.984 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 -6.943 2.257 4.571 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 -6.919 -24.533 -6.236 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 -2.424 41.085 -11.270 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 -3.447 -1.014 -0.729 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 5.710 2.911 -14.850 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 -7.602 -13.289 -4.202 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 -4.413 -3.825 -1.778 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 -22.321 21.658 0.898 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 -5.264 1.609 -3.105 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 2.818 0.346 -3.858 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 4.763 -2.517 -4.530 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 4.248 0.023 -2.286 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 -1.913 7.074 -1.659 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 5.826 9.323 14.488 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 1.060 7.276 1.929 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 -1.202 3.722 0.227 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 -8.651 1.179 -9.185 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 0.921 -9.585 19.247 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 -3.844 -0.635 14.605 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 17.525 -12.062 2.306 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 -6.475 3.800 -13.918 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 4.908 -9.426 0.253 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 -11.701 -8.049 -10.384 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 -5.462 6.164 -2.492 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 5.040 1.682 -3.700 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 17.528 27.562 -10.258 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 -19.855 12.908 4.807 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 -0.687 0.506 -5.836 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 -0.234 -10.676 -6.294 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 -6.630 7.839 -4.029 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 0.730 6.631 -4.398 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 2.489 4.115 0.867 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 3.224 -3.163 11.607 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 -4.558 1.278 4.323 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 5.594 3.459 0.296 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 -7.295 1.131 4.878 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 -3.902 9.730 2.314 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 -2.529 -7.121 12.342 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 -1.795 6.912 2.845 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 -8.935 6.583 -3.708 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 -9.705 -2.449 -8.580 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 -18.803 -7.668 -28.131 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 3.437 -1.177 8.930 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 16.042 -13.646 9.738 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 1.744 -9.636 6.738 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 2.795 -6.235 1.300 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 7.781 -10.137 -29.981 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 27.110 -9.892 18.539 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 -8.282 3.449 -0.382 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 7.388 -10.397 -8.301 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 -9.423 14.717 -2.801 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 -0.531 4.128 2.754 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 -6.211 10.816 -15.152 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 21.531 28.103 14.939 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 -0.181 2.313 -3.575 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 12.826 7.554 -5.907 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 -2.048 -7.032 -8.207 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 -1.862 -2.010 -4.456 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 0.681 1.955 -0.965 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 -6.396 -5.933 6.542 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 -7.822 0.063 4.900 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 -8.930 8.688 0.131 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 -4.818 -5.062 8.226 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 -4.901 2.123 -3.269 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 7.010 1.461 -4.816 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 -28.716 27.070 -27.919 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 3.512 0.912 10.165 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 5.523 4.336 14.281 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 14.832 -19.810 1.038 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 6.215 -6.551 -4.661 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 -2.146 -11.725 5.834 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 -10.654 -8.088 12.336 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 -2.093 -2.507 -0.478 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 -7.544 7.196 2.604 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 5.939 4.319 -9.456 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 3.446 10.443 2.157 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 -7.386 0.842 3.264 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 5.918 -17.417 6.276 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 -1.219 -0.486 -0.307 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 -2.923 -6.703 3.783 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 -16.873 -10.239 8.050 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 2.560 -6.936 5.672 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 9.422 2.590 -2.007 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 -2.865 -10.702 9.041 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 -1.923 -4.729 8.804 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 1.322 -20.256 10.419 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 13.194 3.881 6.641 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 -6.795 3.259 -1.066 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 -0.759 16.937 4.894 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 2.193 -1.331 -11.574 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 5.098 1.212 -1.170 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 5.291 -5.176 7.557 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 6.531 2.361 4.571 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 1.762 -3.084 -5.798 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 15.297 -16.467 -5.224 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 -35.339 19.970 -6.558 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 -6.039 -4.057 2.662 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 16.772 -3.991 -7.383 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 18.851 -5.772 17.631 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 0.592 3.559 -8.326 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 5.654 -6.985 -14.849 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 -10.532 22.131 -12.052 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 -0.175 4.839 -0.794 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 27.376 -9.495 -30.745 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 -10.092 -17.390 -14.990 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 0.603 -1.566 5.348 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 -18.685 -6.916 -9.687 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 17.449 13.237 -10.927 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 -3.610 -8.412 -8.595 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 8.462 -19.081 -7.740 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 -19.828 14.496 11.483 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 -1.038 -5.547 1.000 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 18.164 -16.005 -14.682 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 -22.624 -13.044 20.750 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 1.887 -4.066 -0.591 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 1.364 4.624 3.821 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 0.226 -6.433 -11.813 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 -0.334 5.009 -0.168 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 4.590 -3.409 0.061 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 -6.033 2.527 18.573 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 -1.448 -6.265 -5.627 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 -17.152 18.601 0.064 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 16.217 -2.148 3.149 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 1.817 -4.166 -0.200 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 13.325 11.064 -36.015 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 3.647 -2.196 0.899 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 0.819 -0.025 1.084 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 -18.733 17.173 -9.725 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 -4.358 -4.313 2.033 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 -1.485 6.460 2.453 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 -2.330 0.008 -0.972 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 0.334 9.512 11.593 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 -1.051 -8.011 -4.150 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 -19.131 -4.095 -11.811 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 13.897 12.152 0.028 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 5.627 -5.430 3.580 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 31.412 12.045 0.512 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 -17.932 -19.064 4.073 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 6.279 0.071 -0.242 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 -0.146 9.178 0.422 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 -9.944 23.308 -3.753 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 4.967 3.317 -4.323 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 14.573 -6.318 -16.087 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 -5.711 9.134 9.473 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 1.714 4.127 -6.651 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 5.739 -6.691 10.339 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 -4.275 5.569 -11.425 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 -1.969 3.424 0.785 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 -2.266 2.538 -0.176 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 -4.581 0.408 -3.989 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 1.543 1.486 -2.969 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 23.790 11.213 9.454 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 -1.097 -1.689 2.559 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 -4.571 -2.303 -7.106 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 -11.944 0.448 -6.895 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 0.926 3.662 -4.261 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 1.708 -3.067 1.552 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 -7.435 -2.737 8.123 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 10.405 -5.358 -16.912 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 0.414 4.394 3.049 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 15.033 9.436 12.430 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 22.859 -5.847 0.351 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 1.978 -2.920 -2.399 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 -3.151 -3.269 -4.753 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 15.612 0.343 -0.567 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 2.253 -0.793 3.569 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 7.515 4.419 4.958 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 -5.383 -14.975 1.323 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 -2.424 -6.282 -2.064 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 -1.617 1.679 -0.832 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 -2.489 -3.941 10.487 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 6.064 -3.893 7.236 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 -10.007 7.349 18.990 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 -7.067 -7.829 -6.675 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 -1.573 2.297 0.739 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 -8.665 -20.832 -19.065 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 -21.938 -16.644 14.404 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 6.065 6.771 0.376 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 9.353 2.217 8.475 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 -10.256 0.477 -0.784 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 4.734 2.933 0.992 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 18.351 -14.266 -0.612 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 7.786 11.436 -1.943 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 -0.083 1.232 -0.493 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 1.458 2.258 -13.678 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 1.594 -17.165 4.142 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 0.062 -0.400 0.085 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 5.989 -13.635 -11.561 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 -12.961 -8.782 9.945 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 6.507 -3.854 -0.274 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 -27.219 10.430 -4.812 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 26.998 1.362 3.683 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 1.306 -7.704 -1.422 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 6.352 -14.622 10.375 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 7.167 -6.269 5.510 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 1.503 -4.833 4.731 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 -5.188 -4.743 12.927 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 -3.662 -11.749 -1.096 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 4.079 -4.428 -1.275 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 0.249 6.703 5.358 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 22.711 -15.712 -7.929 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 -3.684 4.366 8.352 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 5.451 2.355 2.270 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 -10.011 -2.070 -0.434 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 1.480 4.197 -1.944 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 7.192 -11.151 16.291 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 6.639 -4.879 12.016 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 2.021 -2.294 0.637 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 18.447 -8.039 -7.406 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 15.444 -7.042 -10.705 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 5.801 -1.802 -4.447 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 22.419 -14.767 11.672 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 -14.813 -3.520 23.454 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 0.630 3.188 3.736 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 -16.585 -17.988 11.433 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 -9.267 -4.195 3.536 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 8.572 -1.864 -1.543 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 5.698 6.770 1.950 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 11.935 -16.447 14.664 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 -1.047 3.036 0.623 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 6.013 7.286 2.439 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 1.026 14.634 -4.380 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 2.386 -4.672 1.119 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 -1.445 -21.446 9.063 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 -14.523 6.546 2.768 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 -3.980 4.578 3.934 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 -6.791 4.286 -2.086 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 -8.769 11.037 -1.081 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 0.091 -2.549 -1.381 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 -7.888 -7.370 -23.581 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 4.442 -1.237 15.832 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 -4.710 1.661 -2.042 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 -9.442 -2.679 -15.900 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 -1.827 24.903 21.856 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 -8.278 7.318 -3.218 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 -11.693 20.162 -5.590 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 -4.622 13.274 -11.631 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 -2.085 2.206 2.918 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 6.050 -0.790 9.943 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 -6.223 4.215 -23.356 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 1.247 3.391 -0.597 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 18.226 -5.476 15.946 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 7.608 4.880 -15.846 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 -2.729 0.306 -2.389 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 -5.132 4.055 -11.548 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 -2.309 3.803 -6.047 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 5.804 -3.965 -2.871 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 -4.764 9.208 -9.422 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 4.541 -1.363 7.826 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 2.106 -1.037 -0.651 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 -17.357 -4.891 0.839 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 15.645 -1.442 6.903 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 -4.779 3.451 9.293 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 -26.939 -9.267 8.900 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 7.667 18.098 5.858 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 3.451 -4.406 9.520 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 2.469 -9.426 18.412 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 14.097 -2.195 8.472 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 -3.821 1.915 2.910 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 5.494 1.487 17.756 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 -0.348 1.534 1.984 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 3.291 -2.082 1.777 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 -8.450 -15.002 -19.019 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 17.380 -9.585 15.202 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 -6.957 2.726 -1.453 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 1.182 8.962 4.653 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 -9.476 6.748 0.992 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 -6.078 -0.186 0.324 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 -7.598 -3.831 -4.556 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 -2.703 -0.337 2.946 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 0.531 -4.482 4.175 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 -9.694 -7.109 -8.893 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 -14.529 3.755 22.831 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 -0.354 4.165 2.541 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 -26.531 14.389 6.831 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 -2.923 -17.578 -3.634 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 -3.588 1.416 1.626 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 -18.709 14.321 3.037 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 -40.897 -34.579 2.303 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 1.519 -5.140 -1.508 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 1.125 -7.509 -3.113 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 15.636 15.243 13.703 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 1.981 -4.858 3.980 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 -5.563 -5.764 -2.421 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 -2.222 -20.971 7.554 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 2.471 0.811 -1.440 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 4.388 7.422 -0.739 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 5.848 -3.073 -1.109 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 -9.125 10.267 3.491 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 3.121 14.040 5.841 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 -13.236 12.078 -15.272 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 -7.464 9.383 -4.532 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 -25.984 1.537 7.559 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 -4.556 12.901 -7.499 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 -5.002 6.975 6.784 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 -4.906 6.644 7.358 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 -4.965 8.208 9.599 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 -0.654 0.723 1.449 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 25.186 -6.518 3.099 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 8.888 -2.064 2.393 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 0.145 2.133 7.901 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 -20.370 7.715 -10.544 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 -5.356 -5.765 19.942 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 4.185 1.632 4.202 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 8.821 13.682 -4.922 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 -2.886 -11.731 24.896 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 1.476 -5.622 2.107 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 3.790 -3.321 -2.296 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 14.941 0.545 9.983 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 2.582 3.400 4.569 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 4.877 4.553 6.237 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 -7.824 -3.531 -4.760 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 0.477 -3.327 -5.635 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 10.425 8.883 19.131 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 18.733 -28.559 -7.498 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 -0.559 0.588 2.239 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 -10.764 1.288 18.438 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 4.802 15.251 18.754 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 3.616 1.402 -2.767 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 9.817 -3.221 -9.607 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 -1.402 10.752 -7.151 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 0.450 3.497 6.275 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 -6.389 1.681 -4.121 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 7.491 -0.318 27.978 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 -2.040 -6.620 0.830 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 8.854 18.015 25.924 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 5.511 -12.834 -3.009 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 -2.682 4.261 -1.948 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 22.081 -6.698 8.019 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 -6.405 -0.029 16.231 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 2.636 5.381 -5.042 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 -7.491 1.308 -6.420 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 -3.134 3.792 -7.187 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 -3.881 5.325 -0.411 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 -1.409 20.962 -17.423 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 6.228 1.414 11.367 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 -7.792 -1.200 3.071 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 -8.686 3.844 -0.354 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 -3.318 -0.648 -3.186 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 -2.412 -2.975 0.749 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 14.957 -5.269 -26.835 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 4.715 2.882 1.442 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 -3.265 -5.177 -4.810 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 -1.926 4.286 5.991 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 3.532 -18.649 -3.923 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 -0.920 -2.504 1.246 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 7.929 -11.049 3.066 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 -17.249 -10.244 -2.837 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 2.521 5.392 -0.623 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 -12.646 3.566 -4.446 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 14.200 -4.323 -6.218 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 -1.203 -2.819 -1.532 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 12.751 12.863 -10.490 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 -1.478 0.282 -10.296 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 2.755 -3.805 2.736 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 -3.399 -8.495 0.795 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 4.345 -3.820 2.846 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 -2.127 -5.466 -7.314 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 0.510 -3.388 -4.909 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 12.522 5.125 7.688 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 -3.085 -1.472 3.717 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 3.733 14.297 -3.870 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 11.681 -20.086 -11.360 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 0.868 -4.850 0.781 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 2.807 -4.586 4.216 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 3.100 -5.646 3.908 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 -0.667 -2.951 3.254 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 -1.023 -2.672 -13.871 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 -9.121 -3.394 2.526 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 0.859 -0.781 -4.887 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 9.368 -0.451 -13.118 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 11.156 -21.265 11.339 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 7.390 -8.430 -2.789 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 14.941 20.030 -13.843 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 21.036 -10.481 8.735 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 4.465 9.471 -5.569 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 -22.798 -8.810 23.448 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 13.865 1.732 -3.269 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 2.604 6.191 2.791 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 6.253 -7.712 0.137 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 -2.681 0.451 5.733 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 -1.293 -0.308 -1.864 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 -3.161 6.288 -16.328 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 38.681 10.169 -32.616 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 5.799 1.087 -3.549 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 -2.954 3.626 13.715 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 11.597 -9.063 -2.434 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 -3.562 -1.341 -5.755 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 -11.891 -8.895 -1.789 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 12.106 -24.245 16.028 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 -7.216 -1.007 -2.128 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 -3.531 1.963 6.312 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 2.407 4.058 0.130 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 1.424 0.391 3.033 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 42.660 -20.293 38.851 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 -1.168 1.700 0.382 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 1.058 4.099 2.313 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 10.641 -2.554 -0.024 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 -13.197 -1.887 -7.937 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 -2.475 1.658 6.173 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 -8.402 -13.997 4.327 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 -12.519 -31.994 1.182 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 2.738 -2.605 -5.228 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 6.172 -4.777 5.099 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 0.314 -2.175 0.765 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 0.941 -4.687 -0.301 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 -13.320 -3.613 3.763 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 3.885 3.064 -5.904 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 1.361 0.019 0.412 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 -7.814 4.282 1.589 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 18.208 -0.790 -3.351 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 -1.799 0.145 -3.686 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 -4.732 3.651 8.887 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 -4.387 -28.459 28.125 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 6.687 1.576 -0.337 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 9.082 4.463 1.792 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 -17.157 -10.134 -8.955 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 -5.392 -3.984 -8.790 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 0.091 -6.070 21.710 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 -25.176 30.923 -6.081 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 -7.617 -2.053 0.327 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 6.049 -10.147 33.342 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 0.505 -17.260 -1.685 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 -3.948 -1.879 0.523 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 -6.802 -21.379 10.547 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 10.881 -7.779 15.458 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 3.983 -2.652 -1.124 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 27.341 8.278 4.785 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 -0.071 -17.744 17.903 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 -0.338 3.337 -1.988 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 7.325 -10.204 -4.456 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 11.700 9.898 -5.848 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 -4.884 -2.196 -1.885 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 -25.311 1.851 -22.151 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 -5.299 10.924 11.030 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 5.234 2.722 3.673 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 -13.033 -5.080 -13.773 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 15.465 17.206 17.413 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 2.666 1.319 -3.104 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 10.474 -9.199 13.885 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 6.309 23.284 2.488 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 5.661 -4.308 -6.617 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 -9.681 7.408 -0.123 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 11.062 -9.393 -12.637 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 -5.869 -3.178 -2.825 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 7.548 15.617 -14.858 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 -13.171 -37.183 -25.298 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 8.580 -5.016 6.634 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 7.689 -10.077 6.368 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 7.246 -9.150 9.206 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 -5.209 1.194 -0.267 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 -5.651 1.163 -7.951 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 -4.689 -1.266 15.391 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 1.974 0.355 -1.361 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 -2.248 -6.272 -6.615 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 -0.042 -10.815 10.478 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 -1.672 2.303 4.661 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 -6.083 0.594 4.987 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 -27.599 7.554 3.238 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 -0.021 1.983 2.143 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 1.498 2.337 11.355 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 -18.712 2.651 0.824 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 1.593 5.715 -6.374 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 4.950 25.753 -23.564 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 4.485 21.862 21.105 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 1.742 0.427 -1.791 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 -5.869 -11.652 -14.604 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 17.191 7.549 -7.100 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 4.330 -0.631 0.818 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 7.658 1.922 -5.857 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 3.518 -4.876 9.172 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 0.820 2.915 0.613 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 12.392 1.535 7.327 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 26.999 -3.246 5.094 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 -7.874 1.919 -6.305 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 -8.868 -10.038 -18.541 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 4.568 12.351 5.167 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 -3.680 4.749 2.016 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 -0.497 8.684 0.082 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 5.548 4.144 -0.510 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 -4.258 2.743 -0.627 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 1.078 -6.890 -10.083 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 -8.885 -0.172 -2.418 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 3.316 0.736 0.618 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 0.143 -5.441 11.594 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 -6.685 -3.479 -8.678 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 -2.900 0.855 -2.532 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 13.274 8.999 -7.476 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 -2.698 -1.303 15.078 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 5.840 -5.923 2.978 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 17.767 1.431 7.708 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 6.368 7.547 -35.837 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 3.802 -1.191 2.294 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 -6.602 3.780 -1.459 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 -2.104 21.169 8.268 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 1.987 -0.154 -1.302 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 7.311 8.284 -6.130 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 -4.121 -10.287 3.103 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 3.739 -7.799 -11.974 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 0.219 -9.641 -18.670 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 -3.830 -10.665 -17.329 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 -5.550 -0.343 4.478 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 11.775 -2.336 1.342 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 -15.525 -4.423 -9.640 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 4.780 7.731 2.063 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 -3.868 13.617 5.117 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 12.593 -1.522 -3.843 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 2.266 0.677 -2.389 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 3.618 4.086 -3.611 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 2.609 3.326 -4.001 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 7.771 -2.187 4.524 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 -9.074 -5.764 9.442 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 3.955 10.841 -11.730 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 -2.660 -1.138 5.303 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 -15.183 9.659 -6.093 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 -9.158 5.063 -8.879 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 0.868 -3.770 -3.118 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 3.930 -8.301 1.508 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 -4.152 -23.194 25.017 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 -3.246 -1.001 -0.794 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 -2.127 -18.353 4.742 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 -3.801 -24.308 -2.782 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 -1.497 -4.976 4.523 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 -3.747 -27.180 -8.789 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 -12.144 0.310 -0.832 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 2.057 -1.497 -4.278 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 8.664 -7.403 -10.375 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 7.814 11.474 1.041 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 0.800 -8.916 -1.474 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 -29.110 -14.405 -7.725 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 7.848 -11.996 19.027 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 -2.725 0.172 -7.195 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 0.908 -34.905 9.832 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 -2.147 1.154 -0.840 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 -1.069 -1.724 1.766 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 0.034 -3.684 -11.482 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 -0.212 -13.304 8.185 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 -3.849 -7.401 2.085 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 11.240 -8.624 4.954 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 -5.986 5.753 6.794 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 2.257 2.369 6.055 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 -1.449 0.295 0.283 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 5.455 12.135 13.033 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 -7.880 -0.497 0.070 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 -12.975 -9.662 -21.676 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 0.727 7.181 10.041 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 4.184 -2.474 -3.066 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 -0.501 -6.450 -10.085 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 7.538 -4.135 4.636 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 0.003 4.246 5.056 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 -10.146 22.797 -10.922 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 2.785 2.297 6.986 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 2.875 -8.258 3.196 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 19.311 12.402 -9.561 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 -8.862 -15.660 1.375 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 1.456 0.625 0.383 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 -2.251 2.080 -8.477 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 11.399 16.548 -11.617 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 -1.824 -0.688 2.840 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 1.186 -1.443 -14.990 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 5.885 -5.412 -4.913 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 -1.487 -3.292 1.184 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 -4.036 -3.171 -8.488 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 -13.800 -0.670 5.802 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 3.232 3.355 -6.476 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 4.632 -15.045 24.926 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 -0.419 10.190 -28.877 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 2.192 -1.969 6.656 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 10.311 -3.707 13.106 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 14.797 -1.687 1.493 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 -5.414 -1.516 -2.216 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 5.267 3.025 15.787 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 -19.852 13.899 -5.586 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 -7.436 1.389 -2.187 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 -10.412 -9.885 -5.609 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 -1.816 14.283 2.956 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 5.048 -5.872 0.869 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 -19.765 -5.754 -9.558 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 4.170 18.065 18.219 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 -0.161 -3.734 0.893 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 -14.324 26.483 3.227 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 -10.042 -14.242 -30.938 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 -9.070 0.792 5.897 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 3.740 18.798 14.344 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 15.816 -9.137 -0.411 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 -0.641 -2.052 -9.763 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 13.423 1.600 -17.862 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 -1.381 -16.463 -4.014 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 -0.661 7.414 -3.300 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 0.752 -14.367 -13.565 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 1.294 -3.187 -7.999 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 -1.083 1.037 3.057 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 3.870 -7.395 16.114 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 -16.994 -5.078 0.273 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 7.691 6.523 -0.358 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 4.454 -7.572 -17.466 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 -10.501 5.739 10.143 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 -3.597 -1.675 0.109 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 -15.980 15.599 -0.459 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 8.858 5.586 9.032 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 -0.672 -8.970 2.029 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 6.369 -17.235 -12.680 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 10.199 1.403 9.238 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 -2.587 -4.913 4.649 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 -16.255 0.249 18.155 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 -14.275 16.711 17.324 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 4.550 3.411 0.130 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 9.405 13.223 -1.332 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 -8.719 -15.992 2.651 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 -3.475 1.522 5.835 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 -9.890 -1.495 25.953 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 -5.780 -0.148 18.799 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 -1.339 -0.631 0.067 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 14.737 -3.956 9.786 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 17.251 -10.283 14.197 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 -2.493 1.705 -0.126 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 4.380 -11.322 7.938 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 -11.966 -9.007 -15.175 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 -0.866 -0.266 -2.219 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 2.256 1.183 9.529 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 -3.290 -6.695 -2.695 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 -9.367 2.825 3.338 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 1.845 4.815 3.983 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 0.212 -26.468 -2.349 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 2.024 0.978 0.383 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 -3.325 6.063 -11.004 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 5.757 2.868 1.933 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 -0.345 -4.998 3.057 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 34.545 -5.864 -12.493 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 -16.277 -4.641 11.366 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 0.399 0.505 0.446 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 4.093 -11.329 2.918 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 -6.350 21.664 -4.138 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 -1.128 0.224 1.554 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 -19.095 17.527 -6.076 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 -15.871 -22.345 2.956 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 -1.831 -6.563 -0.008 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 -9.616 2.365 14.286 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 8.739 7.550 -6.221 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 1.516 4.383 1.235 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 -10.241 21.004 -1.158 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 -8.716 -14.016 -14.297 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 3.890 0.602 0.845 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 2.637 7.735 0.699 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 -2.004 17.596 1.947 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 10.386 1.237 2.348 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 -1.076 -10.529 -0.989 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 19.209 3.645 7.723 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 2.345 5.246 8.522 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 0.966 -14.092 -5.592 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 -2.804 5.207 9.856 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 0.618 3.170 -4.280 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 -4.041 -3.490 -3.884 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 15.290 9.904 -1.666 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 -1.574 2.797 -7.616 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 -12.501 3.368 -35.946 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 1.339 2.615 -1.396 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 -1.258 -1.362 -1.458 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 -11.457 6.804 -2.521 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 -9.027 -1.635 -11.612 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 0.604 7.453 3.426 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 -1.929 15.708 19.013 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 -16.072 0.964 -0.680 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 1.164 -5.965 -0.284 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 5.440 -4.702 1.082 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 -2.588 -2.284 -3.130 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 -9.460 -1.101 4.508 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 -19.177 -10.550 2.573 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 -13.539 -0.368 -4.217 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 0.127 0.240 -6.818 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 -3.390 -9.593 0.595 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 -11.778 1.046 -5.809 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 5.570 6.849 -6.182 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 14.976 17.904 -3.582 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 4.678 4.006 -1.636 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 -3.870 0.551 -0.475 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 -6.030 19.323 16.783 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 7.300 -8.265 -5.480 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 2.403 3.272 2.527 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 -12.967 -16.390 -15.931 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 6.852 3.670 35.783 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 4.745 -4.828 -5.562 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 18.049 2.110 4.656 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 -2.707 -10.715 -0.230 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 -0.247 -3.205 1.152 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 0.987 -4.190 25.945 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 7.956 4.773 6.099 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 -0.661 2.144 2.928 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 8.427 -29.627 6.851 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 -14.246 8.042 1.611 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 3.020 0.748 -0.996 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 -13.265 -4.764 20.299 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 -24.481 11.194 -3.362 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 2.004 -0.953 1.692 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 -0.112 -0.341 -4.903 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 13.067 -0.242 20.962 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 -0.468 2.608 6.730 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 8.939 -17.583 14.958 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 18.938 12.215 2.554 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 -5.277 3.274 4.925 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 13.940 -12.606 -15.543 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 6.293 4.850 -0.290 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 8.508 -4.252 -2.226 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 -3.875 -15.971 -4.299 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 1.836 -4.941 -19.579 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 0.639 -0.664 8.076 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 8.583 -6.048 21.051 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 4.212 2.159 22.359 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 -0.726 9.925 -0.462 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 -2.384 7.130 0.638 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 -27.503 -28.470 13.439 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 -4.276 0.860 -2.277 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 1.532 20.210 -7.591 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 -8.987 -14.227 1.336 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 1.046 -0.011 2.120 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 -15.073 9.252 0.617 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 -32.201 28.063 12.877 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 3.143 1.181 9.688 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 -1.347 11.281 7.748 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 0.499 -1.294 10.178 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 -1.212 2.502 -2.014 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 1.020 -0.340 2.713 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 -3.896 7.697 -12.628 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 0.640 -4.814 5.023 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 -4.271 -3.889 -9.303 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 -1.281 -3.228 -0.709 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 3.566 -2.130 -0.229 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 -24.564 -13.639 2.358 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 12.984 0.024 30.428 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 0.621 -0.721 -6.133 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 7.243 31.909 -4.647 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 21.234 -9.655 14.465 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 -0.310 -1.968 -4.380 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 -10.042 -14.678 -9.641 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 0.951 -11.501 -0.282 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 -9.980 1.285 4.477 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 -6.488 1.453 21.504 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 -0.889 -12.168 3.119 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 -3.767 -2.062 0.350 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 -10.664 -1.241 -28.716 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 2.331 13.217 19.698 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 3.248 -9.356 4.484 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 0.580 7.425 1.145 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 6.314 -0.439 33.548 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 -6.483 -1.505 0.208 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 -16.008 26.489 -20.475 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 20.038 13.827 25.639 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 -1.505 3.923 -5.001 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 -3.499 6.493 3.893 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 -4.471 5.431 2.301 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 3.365 -0.143 -2.694 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 4.478 -0.997 -6.527 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 10.367 13.152 -20.172 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 0.896 7.572 2.583 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 0.181 11.293 -5.580 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 9.414 -10.630 6.275 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 2.511 1.201 -6.961 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 4.597 -26.421 -2.259 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 -1.981 10.745 -2.712 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 -0.460 1.494 5.055 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 15.317 12.279 18.159 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 -14.296 5.234 13.906 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 -1.876 -1.340 1.221 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 1.432 4.214 -14.574 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 -16.355 6.954 5.876 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 -1.376 -1.396 -2.601 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 0.202 3.079 -3.643 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 -2.418 15.988 -0.608 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 8.938 0.048 3.149 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 -15.262 -3.352 -9.010 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 -26.722 -16.061 -12.466 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 1.365 3.380 -1.942 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 -16.019 23.305 13.743 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 32.189 15.681 3.743 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 5.655 1.642 1.903 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 21.301 8.309 11.698 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 1.625 14.238 -11.127 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 -4.746 -0.156 -1.197 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 -13.563 1.710 -6.918 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 4.638 -2.175 12.537 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 2.993 -6.782 5.561 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 3.898 -3.096 11.555 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 -5.326 -9.919 3.694 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 -0.409 3.289 3.292 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 -13.196 -26.440 -14.410 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 -9.159 2.971 1.519 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 2.124 5.651 6.790 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 -9.265 13.327 0.727 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 4.159 3.150 6.000 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 -2.775 5.169 4.774 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 -4.736 -10.343 -3.250 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 2.311 -9.680 2.680 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 -2.604 -3.405 -0.213 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 1.956 -13.211 -2.958 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 -8.392 1.871 2.309 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 -2.995 6.406 -0.812 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 -18.606 12.334 -17.690 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 9.827 30.083 2.413 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 11.659 -3.390 -3.736 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 9.937 -0.309 -25.328 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 -16.832 -15.450 12.319 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 3.975 -12.651 0.120 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 -4.975 14.038 -1.578 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 6.347 8.231 3.465 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 -5.805 -2.581 5.765 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 -7.640 -12.022 -10.609 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 -15.269 -12.802 -20.279 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 3.539 -1.879 0.628 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 -1.871 10.205 0.990 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 7.197 -5.381 -12.342 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 -2.534 0.280 -0.276 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 -16.648 3.770 -1.332 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 -9.413 2.420 -0.041 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 0.648 0.876 -1.194 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 15.266 -18.692 3.502 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 -17.010 -10.903 10.377 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 -1.036 4.483 3.675 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 -5.322 12.030 -10.637 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 5.154 24.969 19.927 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 -1.047 3.318 0.997 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 -5.301 -18.327 0.942 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 1.291 1.817 -3.579 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 1.329 -5.191 2.828 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 1.540 19.463 18.676 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 -1.875 -15.671 -28.328 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 0.500 -2.357 -2.266 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 18.514 2.533 -8.671 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 6.555 -16.710 6.384 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 -1.134 4.957 1.373 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 -2.778 -16.315 -23.756 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 -5.017 9.614 13.644 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 -0.625 7.007 0.366 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 -3.439 17.463 -11.633 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 -1.442 6.109 -1.566 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 0.982 -0.168 -0.957 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 0.976 -0.524 -2.137 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 0.090 -2.030 -6.086 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 -4.250 0.161 4.382 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 -3.922 18.038 13.514 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 7.691 1.983 8.283 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 -6.640 -6.369 4.483 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 3.249 -2.432 -2.376 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 -32.145 -5.863 -14.008 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 -1.836 -4.942 -2.416 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 -15.373 -19.478 -4.590 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 0.379 0.616 -8.305 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 0.418 -6.853 1.403 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 -9.002 6.317 -13.956 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 -9.935 -0.366 42.156 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 4.673 8.987 2.850 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 7.339 -11.439 1.143 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 32.623 4.104 -4.543 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 0.069 -0.011 4.340 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 5.644 -9.308 -6.603 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 -3.530 -10.583 15.527 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 -8.367 2.047 -1.065 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 -3.608 8.392 1.837 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 -10.854 0.314 3.274 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 10.766 -5.169 6.529 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 18.496 -19.083 13.529 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 0.076 8.514 19.261 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 -4.205 -1.433 -3.341 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 -2.648 1.396 -1.032 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 -5.992 -2.137 -5.781 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 -0.612 -2.123 -2.576 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 22.351 -6.118 7.649 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 -14.560 5.292 -12.735 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 1.154 -4.134 2.938 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 9.614 8.179 3.882 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 3.024 -11.004 -7.709 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 3.951 0.776 7.147 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 -5.513 2.869 2.092 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 -5.145 5.428 -22.737 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 -0.585 2.976 5.137 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 4.561 3.977 3.052 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 -4.413 -3.281 -3.576 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 0.111 -7.927 -0.093 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 14.007 13.129 3.388 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 25.909 16.167 2.242 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 -0.658 5.704 0.520 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 -1.775 -2.349 -2.734 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 -3.283 9.725 0.299 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 -2.727 -0.732 -2.173 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 -3.822 2.002 3.555 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 -2.802 0.190 1.380 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 -3.016 -5.481 4.341 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 1.738 -23.947 -6.097 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 -7.006 12.091 -5.411 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 5.795 -7.089 -0.050 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 16.301 4.090 -18.300 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 11.745 0.260 5.095 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 -5.586 0.988 -2.475 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 -9.764 -8.507 9.069 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 10.503 17.740 6.180 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 -1.921 -5.105 -0.977 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 -1.572 -15.685 -0.047 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 0.299 -1.588 -4.990 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 3.204 -2.100 -1.856 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 11.051 -1.093 4.126 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 -4.957 -21.487 2.624 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 3.181 0.703 2.463 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 -3.824 -16.801 -3.761 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 -0.259 -5.522 0.988 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 -3.057 0.678 7.345 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 1.164 1.182 4.090 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 23.369 3.743 27.317 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 -3.628 -7.052 -4.893 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 -1.920 -3.646 10.411 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 14.313 14.686 -2.519 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 -7.808 1.672 0.384 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 24.456 -1.237 5.257 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 -8.595 5.737 5.081 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 -11.828 -2.428 3.037 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 14.520 4.386 11.665 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 -14.110 5.410 8.621 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 0.399 -8.055 -1.569 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 15.057 -1.877 10.331 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 -3.944 -11.998 -9.763 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 -5.411 3.255 -0.388 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 -18.995 13.564 -5.515 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 -7.764 2.224 16.729 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 -3.695 0.128 -0.757 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 -14.518 8.284 0.380 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 11.913 6.088 -5.261 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 9.678 -3.909 7.970 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 -8.681 -12.684 -7.008 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 9.603 39.935 -19.982 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 -3.056 2.594 -9.406 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 -9.444 -0.604 -13.552 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 3.678 2.097 -15.689 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 6.284 -0.407 -5.462 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 18.676 7.904 -0.757 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 4.557 -11.737 -18.526 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 -2.222 -1.177 7.368 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 -21.310 -16.580 5.970 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 7.970 -8.977 10.064 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 0.474 2.351 -3.912 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 -17.358 -17.492 -8.331 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 8.877 6.083 -2.944 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 1.454 1.628 -13.029 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 19.612 -5.404 23.315 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 2.665 -9.178 -6.980 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 -7.170 5.502 1.935 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 -3.114 5.700 5.689 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 -15.462 5.415 -4.746 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 2.124 1.502 3.278 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 4.160 14.552 10.833 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 8.991 -10.019 17.095 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 0.884 -2.657 -5.192 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 -1.945 -12.095 4.901 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 6.061 2.315 -14.707 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 1.347 0.867 -3.852 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 -18.616 11.156 -2.447 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 21.543 14.899 -10.783 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 -5.735 -6.524 -8.455 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 -17.232 -2.768 1.876 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 10.336 -1.530 -22.155 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 2.891 -0.306 5.391 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 -2.587 4.839 20.477 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 4.765 6.123 -1.654 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 -5.293 2.572 3.646 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 2.305 11.777 -7.407 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 -10.534 -5.576 12.592 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 6.887 -0.158 7.294 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 2.141 -3.700 12.890 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 3.155 -9.209 18.779 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 1.719 -3.262 -3.151 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 6.803 -1.126 -12.015 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 -13.203 4.372 5.720 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 -0.242 4.342 1.622 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 -19.064 0.616 15.910 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 10.400 15.733 16.442 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 2.011 5.916 -10.086 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 4.546 2.759 -7.260 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 3.649 0.933 -7.420 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 -2.388 -6.850 -2.363 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 -39.216 -5.384 -27.489 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 -8.123 -12.143 26.686 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 -4.368 8.257 -7.088 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 -22.740 -8.804 -8.952 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 -13.658 -4.421 -8.093 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 1.949 2.358 3.071 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 -12.307 7.679 -4.536 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 3.472 13.258 14.219 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 0.013 -2.670 -3.849 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 7.524 3.563 -0.794 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 0.807 -11.497 4.783 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 1.368 -7.090 0.302 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 17.072 3.933 -13.384 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 -13.614 -14.619 0.447 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 4.992 -6.396 -2.645 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 -36.421 -0.033 -7.627 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 9.731 -7.863 2.060 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 1.232 -2.452 -1.521 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 9.814 -2.011 -11.287 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 15.810 -5.223 7.844 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 3.760 0.157 0.244 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 21.037 -3.983 0.512 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 2.518 17.217 -8.018 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 3.039 -1.702 -0.901 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 -20.109 7.862 0.609 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 20.123 -11.851 -1.802 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 -6.823 -1.396 -0.137 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 -3.383 -8.367 13.776 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 -10.928 -17.830 -11.554 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 5.499 0.549 8.865 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 -0.185 -6.635 24.697 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 4.290 1.874 4.048 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 -0.810 -4.281 -3.512 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 1.379 -0.208 4.324 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 -7.908 1.519 6.572 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 -3.202 2.139 3.547 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 -0.182 12.672 12.802 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 -16.542 -1.103 7.584 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 -7.120 -1.844 3.603 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 15.758 -3.551 -3.092 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 -11.989 -25.880 -9.014 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 -5.383 6.623 2.034 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 -6.661 -0.661 0.086 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 4.264 8.266 3.302 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 -1.385 1.214 3.150 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 -0.917 -4.778 14.745 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 -8.944 -6.515 25.597 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 4.757 -3.436 -1.719 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 1.476 0.335 -0.829 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 11.430 -5.846 0.252 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 0.851 1.579 -3.606 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 -1.951 -1.058 11.744 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 -5.720 16.237 1.378 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 -4.831 -3.660 -5.346 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 -12.231 -1.381 -6.915 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 8.093 -2.053 -4.491 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 0.508 5.803 0.297 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 -14.686 -10.354 7.820 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 -4.922 1.014 9.953 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 0.475 0.034 -0.399 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 -7.235 -11.099 11.645 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 13.855 18.961 -17.516 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 0.526 -1.386 -1.853 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 -3.684 -9.475 -3.887 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 18.020 -5.097 -10.331 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 1.993 3.632 -2.894 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 -3.845 -5.177 -3.316 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 4.899 8.483 -3.349 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 -2.464 1.451 -1.655 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 -34.461 10.700 -8.166 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 2.969 33.154 -3.151 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 -0.224 -3.026 2.276 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 10.477 -9.352 6.332 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 -14.838 -2.492 -10.039 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 2.905 1.996 -2.144 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 -13.733 -30.459 13.562 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 9.152 -22.483 38.062 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 1.773 -0.992 -0.206 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 7.688 19.212 -4.020 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 7.259 -11.704 -19.134 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 4.152 2.799 3.420 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 4.366 -3.257 7.141 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 -6.433 -3.783 13.228 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 0.619 3.516 -4.924 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 -3.030 12.178 -13.079 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 -10.866 3.345 3.138 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 -1.227 -1.952 -5.282 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 -2.508 -0.289 -9.975 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 2.518 -0.956 -17.947 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 0.352 -0.877 7.462 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 7.095 23.381 3.290 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 -3.752 7.485 18.372 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 0.273 5.634 -3.479 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 -18.831 11.472 -4.833 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 -6.554 -9.853 3.246 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 2.341 -4.443 -0.389 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 6.086 0.044 -2.075 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 3.346 2.073 -0.708 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 0.312 -6.191 -2.949 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 -6.110 -2.524 -23.719 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 0.215 -6.767 -8.827 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 2.447 -4.315 -0.229 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 -3.540 -19.668 8.902 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 10.523 -21.910 19.992 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 -2.316 -2.229 2.573 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 6.860 -2.851 -2.141 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 0.048 5.030 7.210 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 -1.957 1.894 -3.422 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 -2.657 11.287 16.983 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 -24.039 1.363 -16.932 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 0.009 7.074 2.274 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 -4.500 5.389 7.188 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 -4.010 9.739 -3.106 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 0.703 -3.064 4.349 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 -2.603 -13.711 2.378 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 8.730 21.815 13.828 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 -0.797 8.167 -2.243 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 4.846 -17.036 -13.005 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 -1.344 -6.823 12.761 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 -4.234 -1.164 2.243 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 -10.502 9.294 -2.649 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 2.709 -13.754 7.799 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 0.296 2.258 -4.333 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 -0.490 13.797 -3.974 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 9.436 -12.089 -3.586 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 1.350 -1.098 1.740 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 11.418 -1.152 -19.244 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 10.862 -16.469 -17.019 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 -0.656 2.373 7.367 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 0.977 3.683 -17.955 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 -24.486 23.141 3.338 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 0.143 -2.770 5.566 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 0.233 -13.617 -0.592 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 4.279 -15.364 0.855 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 -2.185 -2.487 0.266 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 14.000 -8.013 -3.169 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 -4.499 4.083 -10.356 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 2.995 -0.829 -2.533 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 13.790 -44.994 -7.374 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 4.478 13.145 -2.901 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 0.966 3.172 1.396 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 2.207 0.424 -10.407 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 -4.553 -4.648 -28.092 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 0.751 -1.924 -3.977 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 -1.468 3.461 -11.116 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 -4.311 1.231 -11.759 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 2.674 1.790 -1.250 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 8.134 5.423 5.697 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 13.208 11.865 9.087 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 -4.072 -3.525 -0.614 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 15.798 -14.095 1.941 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 2.508 15.009 -12.650 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 -1.095 7.290 1.521 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 0.635 4.946 -3.244 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 -0.956 7.711 5.025 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 4.389 -2.988 6.373 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 -6.935 7.767 -1.157 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 27.091 -6.735 10.436 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 -0.586 3.163 2.916 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 15.452 25.246 22.024 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 -11.616 -3.472 -14.768 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 0.045 -2.437 -5.754 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 6.332 -1.450 -4.395 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 -27.509 -8.599 -10.773 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 -0.747 -0.412 1.041 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 -9.018 -7.606 0.911 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 -20.987 -13.345 -5.217 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -1.428 -4.769 -4.624 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 8.586 -6.007 -8.653 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 -4.903 -14.933 -2.752 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 -0.398 3.228 -3.580 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 8.841 20.297 -7.807 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 -25.417 5.631 -7.751 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 2.471 4.922 -0.285 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 4.556 -9.261 -8.790 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 -6.467 7.205 17.047 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 3.721 0.306 -2.692 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 13.869 9.197 -8.653 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 -0.778 -4.439 -0.526 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 -2.653 -1.987 -1.842 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 -14.914 -1.810 18.203 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 -9.024 -4.238 20.108 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 2.842 -4.267 6.201 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 2.886 -7.473 12.418 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 -0.283 7.155 -3.222 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 -0.857 -4.039 -0.289 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 -2.799 27.389 -4.235 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 -15.241 -20.817 21.131 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 0.707 4.111 -1.233 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 0.562 7.279 -3.208 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 -5.467 -27.112 10.591 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 -1.127 4.409 -1.435 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 -3.348 -3.732 -16.052 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 10.341 26.385 14.197 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 6.854 -4.972 -5.709 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 -5.166 -11.667 2.038 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 2.342 -7.497 -3.040 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 -4.801 -1.970 -1.408 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 1.147 -1.093 -2.377 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 -7.160 -6.508 6.368 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 4.214 0.287 -1.934 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 -0.537 -8.860 -0.989 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 3.249 2.293 -13.264 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 1.212 -1.308 -1.437 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 -0.417 -14.611 12.219 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 0.970 -9.996 -2.852 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 2.122 -2.647 -4.154 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 9.421 5.907 -36.977 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 -10.241 12.182 4.109 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 0.298 1.552 -3.304 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 11.689 -2.708 -6.089 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 -26.768 -5.008 -1.816 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 6.437 2.409 5.211 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 8.244 -1.966 6.594 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 10.785 1.055 7.526 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 -1.099 0.864 0.827 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 1.231 10.116 -18.310 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 9.943 1.910 3.683 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 -0.887 -1.549 -2.835 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 3.728 19.582 -23.719 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 -24.794 2.852 12.813 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 -2.440 2.618 -6.086 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 14.119 5.854 -3.538 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 -12.781 -0.225 -8.622 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 -1.735 2.497 -0.584 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 -2.167 -3.744 3.031 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 2.137 -6.785 -6.734 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 -6.481 1.840 -3.964 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 -8.826 -0.456 -2.154 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 3.081 12.376 -7.259 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 6.409 -0.471 4.127 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 7.346 -3.810 0.107 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 -1.621 -11.164 14.659 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 0.604 -1.518 -0.303 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 21.509 -14.157 6.660 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 -12.783 -8.064 -19.158 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 -4.681 2.682 1.116 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 19.419 -4.110 0.806 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 -2.633 -17.136 -10.806 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 3.809 2.799 -3.452 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 3.121 5.684 1.878 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 5.348 5.358 -8.987 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 1.924 -4.356 2.758 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 5.352 -3.412 12.616 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 -15.415 -11.390 9.674 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 -3.700 -1.727 -0.423 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 12.809 1.639 4.692 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 -11.734 -1.867 4.320 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 -0.332 -1.747 -2.799 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 -23.884 -20.249 10.796 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 2.821 -27.199 -25.771 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 -7.181 -2.715 1.812 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 2.567 -5.126 10.496 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 19.359 5.741 -16.777 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 6.166 -3.122 2.065 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 5.653 3.757 0.113 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 6.497 -3.788 13.071 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 2.424 4.498 5.472 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 12.478 10.480 -3.046 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 -7.649 16.184 -7.254 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 -6.915 -2.651 0.105 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 3.249 2.474 -4.419 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 12.043 28.687 -20.755 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 -5.066 -1.021 4.826 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 -4.667 0.020 6.818 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 3.511 -9.501 -9.120 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 -4.762 1.243 -0.722 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 -1.249 -4.279 6.913 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 -4.201 15.556 -1.252 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 -1.686 -2.218 4.661 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 1.266 -8.557 9.715 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 -2.307 2.594 -7.319 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 4.118 1.007 -6.704 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 2.598 -0.933 9.714 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 -8.705 14.833 5.417 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 -7.179 5.023 1.337 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 8.665 18.362 -14.709 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 6.909 -14.759 6.716 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 4.166 -6.972 -5.679 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 -0.410 -8.446 36.791 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 1.534 -8.344 22.335 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 -5.078 -0.215 -1.273 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 -2.096 -3.786 -6.878 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 -2.287 -3.556 -6.286 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 -1.731 -7.884 -3.882 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 -2.850 -5.966 -5.241 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 -8.714 18.128 -13.527 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 -3.878 1.001 1.231 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 -0.343 -0.012 3.148 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 -21.116 7.548 -19.918 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 1.603 -2.843 -0.966 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 -1.487 14.400 5.732 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 0.397 6.090 -1.435 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 -5.296 1.103 -9.843 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 -4.446 0.006 8.619 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 -9.386 -6.737 -12.706 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 -2.859 -0.839 4.733 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 6.666 -13.091 8.250 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 0.407 -15.290 25.577 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 -0.957 2.504 1.514 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 -14.075 14.100 -8.802 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 -2.418 26.455 13.642 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 -3.243 1.851 -2.978 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 -5.832 2.881 -3.936 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 14.375 13.321 -7.419 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 1.421 -11.162 -3.178 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 -6.314 -11.273 7.722 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 6.055 -1.855 7.595 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 3.424 -3.608 -3.394 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 12.479 0.306 3.223 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 14.675 -10.172 13.979 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 6.577 -0.590 -0.776 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 12.198 -8.254 14.025 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 3.391 -6.502 0.844 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 1.301 2.809 -0.649 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 -13.128 0.093 -9.473 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 7.996 2.353 -24.053 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 -0.974 -4.001 -4.739 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 -4.002 -1.087 6.256 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 6.220 6.921 9.199 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 -2.510 6.669 1.399 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 -1.818 3.074 -2.607 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 -18.097 -6.337 18.366 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 -5.305 8.191 0.917 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 -3.223 5.027 -8.175 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 0.631 -0.356 -15.878 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 2.142 4.649 -0.332 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 -1.903 1.249 16.470 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 7.082 24.799 -12.741 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 -0.569 1.958 -3.893 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 -11.004 -1.629 -4.155 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 -10.358 16.814 -9.767 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 -0.953 5.961 1.548 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 10.741 -4.308 -12.933 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 4.781 -11.454 -30.448 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 -2.807 -0.712 3.128 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 -7.991 -4.740 0.810 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 2.418 1.104 19.642 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 2.942 3.921 -1.433 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 3.995 -10.681 -2.526 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 -2.995 -1.294 5.672 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 -0.406 2.999 0.684 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 18.758 2.104 4.775 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 -5.753 -15.438 -4.512 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 -0.408 -0.444 2.646 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 -0.388 -3.314 7.096 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 6.118 -9.272 -23.894 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 3.493 -4.251 -3.820 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 11.239 -15.562 10.028 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 -0.609 -0.706 -16.636 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 -0.401 -4.087 3.378 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 -13.036 16.081 -13.179 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 -4.071 -11.589 10.509 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 8.149 4.337 -0.651 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 11.203 4.392 2.076 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 -2.446 7.885 -1.060 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 2.283 0.262 -2.429 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 -22.509 7.751 -2.342 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 4.251 -43.314 -1.646 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 1.049 -6.084 -1.730 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 15.515 4.603 -3.287 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 -12.750 4.802 -3.851 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 4.825 0.160 3.160 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 21.167 4.537 -6.588 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 -3.121 11.803 -3.198 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 1.331 -0.121 -0.845 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 1.326 -4.135 -1.882 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 -19.056 -2.645 -1.602 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 -2.292 -5.325 6.309 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 -9.266 11.999 4.555 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 -4.011 -10.812 -14.701 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 1.059 3.636 -1.818 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 -6.132 -17.151 -6.880 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 -12.759 18.096 -9.854 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 1.552 -3.502 3.056 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 9.126 2.368 -10.822 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 -6.557 12.482 11.645 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 3.119 3.327 4.086 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 0.741 8.768 -2.502 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 3.829 9.666 12.149 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 -3.274 -1.588 -5.787 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 10.984 -5.289 13.294 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 -7.111 -0.249 -9.455 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 -6.634 1.478 3.094 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 -13.293 -0.230 11.947 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 -3.322 -0.931 4.457 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 1.749 -0.889 -5.915 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 0.221 23.043 2.206 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 10.179 -28.617 -9.937 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 3.273 1.107 -5.983 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 23.975 -5.221 18.820 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 -20.168 11.682 -2.711 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 -1.655 -5.230 -3.402 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 2.813 9.677 -4.761 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 8.169 -15.116 -12.500 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 0.835 3.577 11.275 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 9.257 -3.674 -11.357 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 9.467 -1.769 12.621 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 0.476 -3.806 4.593 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 0.504 -22.899 -25.005 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 3.208 1.977 1.926 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 -4.034 6.116 3.810 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 -16.026 -1.176 11.943 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 1.293 -20.642 29.761 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 -0.247 -5.092 8.575 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 10.998 2.274 -10.247 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 -13.436 -19.519 -2.485 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 1.099 -1.665 7.068 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 6.256 -1.583 6.982 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 10.750 -2.848 6.267 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 -1.838 -2.795 3.446 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 5.300 -0.647 -6.754 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 1.647 2.619 -2.839 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 -0.576 -8.097 -3.213 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 -17.278 -6.309 0.715 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 -12.906 -6.432 0.462 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 9.370 -3.797 -2.942 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 25.522 -18.275 8.871 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 -6.387 0.645 -3.616 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 -4.396 7.730 -2.082 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 6.683 12.543 -21.565 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 -20.031 -7.720 -11.615 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 -1.009 2.896 -0.441 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 -0.460 16.288 15.459 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 -12.835 -30.758 -14.972 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 -3.521 1.144 -2.942 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 -5.510 -10.074 11.665 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 -9.060 -7.142 5.531 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 -1.003 -1.739 2.639 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 -2.979 2.472 4.314 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 10.104 0.368 1.696 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 -3.574 -2.694 -5.958 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 -4.129 -15.417 -6.424 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 -19.263 -13.079 1.443 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 -0.697 1.471 -2.404 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 -8.062 -1.523 0.219 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 3.112 -0.319 -4.589 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 -1.294 -1.741 -2.409 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 0.501 -7.404 1.305 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 -7.317 1.384 2.151 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 -2.219 -7.199 3.461 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 -1.184 -7.527 2.991 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 -4.850 7.444 -8.835 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 -3.727 -0.983 -0.043 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 -4.936 -11.836 3.118 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 2.685 -3.394 13.241 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 -1.933 -4.331 0.848 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 -5.854 -8.471 -6.201 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 -0.411 -7.648 -9.572 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 -4.468 -4.687 3.375 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 -4.654 -10.475 -0.695 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 3.854 6.226 -2.300 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 3.589 -2.104 5.519 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 -13.343 -8.552 -1.061 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 5.455 -10.842 21.896 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 1.936 -1.584 -1.182 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 -1.524 -12.730 0.222 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 21.212 5.059 -9.616 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 2.176 3.133 1.081 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 -14.543 -15.094 -24.550 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 -16.738 -23.909 17.234 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 2.383 2.223 -0.537 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 37.652 21.826 23.805 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 10.405 5.800 -24.400 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 2.993 -0.750 1.500 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 8.509 5.198 -20.936 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 -0.016 -7.846 3.714 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 3.248 3.227 -0.748 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 -16.522 -2.501 -5.316 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 8.137 0.511 17.377 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 0.456 -3.250 -11.769 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 -3.088 -6.950 -14.327 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 12.831 1.593 -11.651 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 -3.789 7.244 2.650 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 18.478 4.186 1.110 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 0.025 1.506 -13.515 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 -4.416 -0.442 2.396 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 -1.426 -2.188 4.480 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 9.992 5.755 -0.451 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 7.233 -3.055 -4.934 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 9.404 -3.531 -2.192 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 15.243 -1.912 0.644 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 2.338 2.412 -0.656 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 0.720 -14.864 -30.559 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 -24.525 20.282 6.474 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 -2.462 -3.906 1.132 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 -3.672 0.835 -1.808 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 -7.403 11.967 -8.575 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 -2.281 -3.678 -2.845 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 4.191 16.385 -7.050 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 -13.867 -9.348 -16.147 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 3.690 0.215 0.419 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 9.089 4.688 -10.374 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 -2.354 -6.098 8.524 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 -3.129 3.186 0.234 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 4.670 -0.926 5.948 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 19.774 8.291 24.944 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 -6.813 6.011 0.198 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 8.809 -10.609 -15.981 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 8.098 4.502 15.348 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 -2.985 -1.287 0.136 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 0.967 -2.047 -0.252 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 -3.349 -4.178 6.860 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 -4.587 5.639 -4.581 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 -5.798 -2.557 -2.924 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 -7.975 7.399 -2.693 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 7.920 -6.655 -0.036 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 -13.328 -8.764 -3.849 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 -0.354 -10.632 -4.432 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 -0.162 1.767 3.403 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 -3.764 9.751 5.752 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 6.158 -2.866 -0.095 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 1.884 5.997 -4.012 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 11.748 1.518 3.373 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 -8.039 10.957 5.726 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 -0.182 0.553 3.793 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 18.713 3.331 -1.656 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 4.496 7.066 5.013 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 1.659 -3.118 5.893 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 -11.448 -0.166 -11.107 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 -0.832 4.979 0.465 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 -8.267 -5.000 3.057 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 -25.299 -8.721 0.977 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 2.625 4.292 -15.285 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 4.681 -0.462 -0.728 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 -13.697 13.686 8.269 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 6.067 -2.313 1.836 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 -3.053 3.484 -1.019 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 -5.296 2.882 -0.134 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 -10.652 3.341 0.355 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 3.055 -2.967 -1.470 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 -5.754 2.476 -2.988 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 -6.446 -3.687 1.523 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 -0.340 -2.397 7.961 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 -29.703 5.937 19.987 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 -5.445 -1.716 -2.377 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 -6.137 0.133 -5.500 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 -5.488 8.197 -13.160 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 -19.389 -6.683 -12.296 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 0.330 7.000 2.712 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 3.465 8.126 -5.340 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 4.234 -12.230 2.378 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 2.933 1.833 -0.945 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 -9.209 12.126 11.884 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 -8.027 25.240 -3.579 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 5.179 5.206 -0.187 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 3.282 0.071 -2.433 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 7.350 10.247 9.990 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 -2.807 7.012 -2.135 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 -5.607 -26.088 5.118 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 -10.107 -20.759 -4.118 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 -5.511 -2.123 -5.506 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 -5.496 2.113 -8.849 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 -27.798 -2.208 17.694 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 4.304 0.897 -0.938 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 -2.933 3.010 7.855 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 -3.714 10.127 -41.988 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 0.854 -1.591 2.327 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 0.634 -6.748 7.097 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 2.728 6.634 6.262 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 -0.303 -3.176 -3.855 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 10.085 1.068 -0.560 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 10.770 1.578 -1.827 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 -0.818 6.030 -0.854 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 1.731 -1.082 -3.219 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 -8.456 11.850 -16.344 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 -3.672 -2.943 1.989 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 -17.233 -5.905 -6.663 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 -18.685 13.584 8.777 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 -1.751 2.171 4.041 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 -15.863 9.221 15.877 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 17.794 1.329 6.023 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 1.211 3.024 -3.782 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 1.190 2.689 -5.384 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 -10.866 8.741 -3.917 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 -0.667 1.516 2.050 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 19.616 0.319 5.855 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 -7.994 17.274 1.977 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 5.510 -2.154 7.478 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 -20.539 -17.301 20.350 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 20.923 7.332 -1.337 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 1.327 6.808 -2.137 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 -1.823 4.202 17.418 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 -14.276 13.874 35.128 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 -0.998 -1.177 1.593 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 -19.923 24.766 11.552 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 2.998 1.172 3.244 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 0.986 -1.334 1.151 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 -7.416 -9.688 -7.506 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 6.166 7.077 -4.671 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 2.704 0.007 -4.226 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 -34.716 -22.903 -15.677 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 32.719 24.319 7.827 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 -0.340 -0.910 0.682 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 24.739 -4.668 19.127 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 -2.016 -0.459 -3.462 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 2.420 -3.962 4.633 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 2.615 11.164 11.920 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 4.641 -25.920 -4.610 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 -0.542 -0.878 -8.480 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 2.918 -14.044 3.043 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 8.864 11.260 0.164 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 3.848 0.049 -3.995 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 12.390 20.849 23.284 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 9.760 -22.379 6.636 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 -1.831 1.322 -0.543 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 -2.579 1.998 -3.933 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 12.275 5.336 7.494 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 -3.219 -0.427 -2.857 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 -11.000 1.286 6.405 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 -5.480 1.371 7.730 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 -5.294 -0.685 -0.366 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 -22.703 -3.750 10.992 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 -0.553 17.992 -8.366 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 -1.013 7.208 -2.251 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 19.539 6.290 36.013 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 -4.201 8.047 -1.652 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 2.061 -5.381 2.304 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 4.957 -10.107 1.167 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 10.082 12.458 -25.128 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 5.878 -2.620 -0.668 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 -33.103 -22.010 -12.732 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 18.468 3.528 6.026 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 2.167 7.376 3.158 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 1.483 6.990 3.158 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 -6.951 11.580 2.959 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 0.186 -5.761 -0.885 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 10.489 4.591 0.472 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 -13.258 -2.567 -7.065 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 1.135 -3.360 1.605 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 9.187 -15.905 0.164 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 -1.461 2.675 1.554 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 -5.457 -3.671 4.030 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 -11.334 -8.651 4.398 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 -6.796 5.693 7.659 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 1.359 -0.411 -4.899 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 -12.388 -22.347 -8.640 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 5.869 31.614 3.563 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 1.086 -1.960 5.277 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 18.295 8.270 -1.930 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 -0.776 -34.427 -7.879 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 4.047 1.248 2.928 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 -13.860 -9.171 16.335 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 -18.812 -8.847 8.259 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 -0.736 3.436 3.824 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 -9.553 13.593 -16.363 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 4.759 -10.558 -5.163 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 -2.073 -1.060 1.204 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 -4.297 -1.057 2.935 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 4.628 6.102 4.489 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 2.732 -0.035 -1.789 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 -1.454 2.410 17.705 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 8.183 -4.048 -27.859 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 -7.152 -3.355 3.373 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 0.279 -1.364 -4.706 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 10.821 -5.661 5.614 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 1.360 -6.064 -6.122 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 4.219 -3.750 2.938 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 -10.066 -17.956 -8.572 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 1.679 -0.395 4.315 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 2.758 3.915 9.953 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 -5.167 -2.113 5.253 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 -5.405 -4.231 -1.249 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 -7.080 -4.172 -1.920 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 5.796 -14.029 -14.613 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 -1.989 4.843 0.170 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 17.560 -0.627 -19.633 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 -26.000 -24.098 -5.913 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 -1.277 2.795 -2.761 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 -10.123 14.696 7.370 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 -2.549 -4.190 -10.405 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 1.973 -1.555 3.905 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 33.414 -4.690 -33.261 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 0.242 -17.743 -15.792 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 2.783 -5.920 5.189 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 0.344 -13.278 -7.172 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 -25.913 -15.312 23.950 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 3.237 -5.362 8.801 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 -8.780 -9.686 16.915 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 -21.493 -10.851 33.902 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 3.520 -9.884 -0.599 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 1.623 -4.809 12.101 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 7.613 -3.792 11.278 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 -8.146 -0.157 -2.486 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 -3.983 -4.905 -8.298 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 -23.132 -8.661 -5.512 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 1.009 0.972 1.297 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 0.985 -10.206 -4.449 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 1.917 15.658 6.054 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 3.439 2.004 -1.464 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 0.170 -4.425 0.807 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 5.982 7.248 -1.051 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 0.960 -1.760 0.563 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 0.087 -8.433 11.006 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 9.282 -10.612 -4.338 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 2.378 6.457 4.094 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 16.070 15.386 -3.946 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 1.618 12.062 17.895 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 2.820 4.021 -4.726 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 10.525 17.863 2.842 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 4.980 10.252 -0.544 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 1.816 -1.619 -1.406 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 -2.661 -3.631 1.260 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 12.032 -0.247 -6.166 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 2.197 -1.256 2.358 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 9.338 -6.184 3.525 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 4.041 6.394 4.171 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 -3.254 5.269 1.514 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 10.172 9.395 -1.182 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 -25.496 -5.848 23.205 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 7.427 5.111 -3.456 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 -4.738 9.731 8.036 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 -15.658 -2.528 -11.001 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 0.430 -1.960 -2.682 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 -3.820 -7.794 7.743 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 -7.269 11.551 -15.828 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 1.997 -2.204 4.842 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 19.314 1.982 -5.285 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 -15.613 25.775 -0.936 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 -6.793 -0.145 0.647 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 -22.443 31.902 6.867 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 13.434 -12.942 11.977 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 -0.804 -6.393 1.797 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 -0.526 -7.762 3.650 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 -1.284 -21.348 20.787 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 0.401 6.699 -4.385 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 13.489 -4.400 11.080 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 12.998 7.503 -19.173 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 1.099 -2.265 4.970 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 9.959 -9.301 -8.185 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 -1.009 1.031 10.349 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 6.594 -0.384 -1.166 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 5.287 -18.067 17.774 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 24.833 3.340 -9.921 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 -3.059 0.039 -0.563 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 20.610 13.231 -3.198 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 -0.835 -18.793 4.059 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 7.289 0.188 -4.263 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 -4.138 1.008 -13.735 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 -12.234 10.626 7.426 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 2.827 -0.295 -3.430 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 6.286 -15.074 9.100 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 -0.255 2.775 -25.195 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 -4.494 -3.866 -3.549 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 -2.107 25.165 -27.153 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 -19.264 -3.570 0.816 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 -3.028 -1.762 6.814 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 -12.801 -8.188 -0.811 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 -6.031 -12.058 13.875 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 -0.868 -2.706 5.032 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 -26.788 -14.704 -30.555 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 -3.919 22.622 3.982 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 4.735 -0.194 0.170 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 -2.783 -26.424 -16.174 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 -9.580 1.999 -7.099 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 -1.646 -3.790 -3.100 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 10.855 -8.043 -7.562 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 -0.550 -9.614 -12.764 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 1.373 -6.019 0.255 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 -9.628 -5.289 0.210 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 1.425 -13.439 -5.323 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 2.908 -6.112 -2.633 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 4.164 -1.889 1.954 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 -12.515 20.007 -8.049 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 -0.269 1.592 3.963 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 -12.498 -4.721 8.809 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 7.928 5.221 -6.092 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 1.728 -1.147 -4.449 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 1.519 -1.218 -3.879 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 -9.464 -1.034 -7.999 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 -1.293 -3.367 0.642 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 -6.556 -10.827 -0.914 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 5.176 -2.629 -2.346 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 -3.403 -0.033 -3.509 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 -2.161 -11.941 -8.074 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 -18.576 2.333 1.634 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 -2.542 -3.470 0.006 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 6.602 -4.529 -11.528 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 -12.842 6.604 -1.327 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 -2.736 -4.688 -7.175 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 -3.077 -15.018 -16.134 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 -5.020 -27.519 -27.526 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 -4.679 4.799 -3.346 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 -8.165 4.179 -0.287 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 -11.529 -7.465 -4.842 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 -1.075 0.644 0.416 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 19.350 -15.993 -21.918 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 10.697 -12.392 -10.374 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 -5.528 -4.225 -0.120 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 26.531 -13.861 -4.936 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 -18.726 -3.233 7.431 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 -0.570 -2.001 -2.859 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 0.354 9.979 4.062 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 0.465 -3.023 -18.476 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 -1.485 -0.489 -3.043 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 18.724 -14.981 10.581 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 4.062 -1.881 -5.920 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 -1.902 6.355 -2.858 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 8.108 9.800 12.018 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 6.132 21.703 -15.635 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 1.705 -2.799 -1.793 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 1.733 -0.971 -1.524 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 0.814 -6.853 11.465 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 6.211 -1.326 1.911 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 -9.918 -7.130 -6.741 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 9.074 -2.418 0.471 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 3.074 -1.586 -4.396 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 5.280 -3.646 -2.129 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 -17.565 4.370 -12.362 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 -8.423 -7.422 1.363 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 -5.529 0.054 -4.397 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 -9.964 -13.703 -4.521 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 -6.007 0.602 2.107 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 5.540 -2.323 6.670 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 -11.666 -1.894 14.323 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 5.555 -6.351 -3.853 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 4.669 -17.936 1.702 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 3.044 -5.317 -0.672 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 -5.151 -1.873 -1.640 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 5.957 -5.600 -9.479 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 -21.472 -12.016 4.404 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 -6.293 0.727 7.184 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 0.360 -12.812 -8.894 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 -12.838 14.729 -4.690 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 5.082 -0.650 10.270 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 -7.159 9.829 2.001 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 -38.711 -19.944 -14.129 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 -2.128 -2.816 -8.389 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 -0.487 -1.145 -11.157 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 -4.459 0.544 -5.976 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 2.189 1.396 -5.227 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 5.511 6.897 0.822 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 -4.191 1.559 -8.680 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 2.781 1.750 -1.474 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 14.033 -3.078 2.866 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 9.980 0.027 0.330 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 -8.379 4.991 5.223 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 -14.896 3.744 -1.960 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 -6.029 7.316 4.711 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 1.817 -4.204 5.302 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 -10.190 -4.302 10.117 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 2.088 -1.166 -4.648 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 -2.148 3.705 -4.890 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 20.612 -3.422 8.653 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 -2.252 -3.556 13.801 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 1.472 2.723 2.030 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 4.052 22.472 2.893 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 -4.541 1.709 22.355 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 -1.038 0.211 -1.898 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 3.345 11.178 -14.878 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 6.170 -12.144 -6.833 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 1.787 -0.956 3.279 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 -19.933 -1.672 11.646 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 6.028 -2.554 5.306 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 -1.578 -8.564 -0.626 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 7.382 -6.516 -3.536 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 -5.161 -14.459 4.155 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 -2.314 2.161 5.037 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 9.517 11.849 -8.226 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 1.857 -0.569 6.582 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 -4.719 -0.938 -1.360 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 -18.616 -13.406 3.258 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 -12.971 -3.955 -1.787 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 -0.065 -2.463 -6.317 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 3.272 -8.465 -6.414 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 -7.666 2.944 2.547 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 -2.937 0.170 4.888 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 -31.883 -13.385 -6.804 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 18.205 13.394 12.977 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 3.303 -2.325 0.109 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 14.696 6.845 -3.097 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 9.285 16.861 -17.739 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 7.737 0.175 3.064 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 16.852 -11.935 -7.997 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 6.117 -9.678 -14.835 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 1.350 0.882 2.132 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 3.621 4.803 15.588 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 21.587 10.283 -23.697 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 -0.689 -1.881 -4.493 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 -8.497 6.583 4.818 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 13.530 -18.254 -2.886 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 1.343 0.742 6.721 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 -3.430 3.991 11.141 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 -1.155 -7.142 -1.344 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 -2.215 8.107 -5.241 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 -16.107 -0.774 -5.200 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 -1.310 16.945 -10.029 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 -1.808 -0.181 2.501 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 -1.087 -5.886 -5.172 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 17.653 2.493 -4.361 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 -2.563 -0.742 -1.207 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 -28.106 0.813 2.307 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 0.480 -5.427 -12.858 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 -4.929 -6.368 -1.034 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 -7.537 -4.171 3.068 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 -21.462 7.864 -18.822 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 5.288 1.106 0.135 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 7.112 2.720 2.191 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 10.816 -2.895 -10.147 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 -3.986 1.527 1.213 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 16.668 -33.530 -10.667 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 1.562 12.300 -1.916 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 4.380 2.160 3.617 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 5.896 -14.604 5.474 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 -10.152 -3.929 -4.269 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 -2.294 -3.807 -7.149 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 14.442 -2.525 -24.045 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 -7.668 11.617 -4.649 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 1.765 6.721 0.718 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 2.966 4.947 -7.730 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 3.817 15.215 3.877 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 2.522 1.425 3.457 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 -6.812 -13.884 6.790 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 -5.191 13.018 25.398 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 -5.281 -6.043 2.683 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 -11.485 -9.172 0.548 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 1.655 4.597 1.870 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 -0.606 -2.018 0.638 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 20.259 -1.295 -29.044 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 -23.485 -8.221 -12.140 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 1.743 0.031 3.067 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 -22.348 13.793 -7.985 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 6.925 -18.492 21.788 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 -1.630 1.281 -6.873 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 -9.249 -15.398 1.544 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 -18.041 12.089 -12.553 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 -5.230 -2.969 0.540 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 9.188 -7.348 -37.181 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 2.379 -0.527 4.434 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 -1.359 -6.974 -4.275 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 2.140 -14.364 -5.309 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 -10.836 -2.360 8.274 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 0.837 -0.153 -0.315 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 -11.009 -19.314 -20.519 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 -7.612 -4.526 -14.711 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 -5.413 -3.522 0.434 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 -1.625 -5.415 7.895 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 -11.501 -1.815 3.283 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 -7.064 2.381 -1.965 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 -11.944 1.740 -0.478 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 -14.867 -1.176 7.513 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 0.865 -2.512 3.918 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 0.683 -18.789 9.153 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 27.735 -6.178 14.552 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 2.833 -1.389 -2.108 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 -1.378 -1.433 -7.066 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 7.036 1.369 -3.942 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 -1.475 -3.768 -0.594 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 4.421 -13.686 -0.052 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 -24.196 4.958 2.086 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 4.191 5.766 1.449 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 -6.617 5.724 17.868 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 5.554 16.912 -14.503 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 -1.868 -2.676 1.893 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 -2.434 -4.650 9.341 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 -13.038 -43.426 -31.384 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 5.887 2.492 -6.333 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 -16.221 -0.879 12.005 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 -5.292 -6.881 3.721 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 -3.161 8.941 -6.872 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 -13.713 2.696 4.983 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 16.549 11.117 12.811 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 0.253 -3.087 -2.899 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 -12.528 13.115 -13.016 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 10.014 -14.721 1.218 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 -0.351 -6.206 -1.813 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 8.756 -5.530 -10.549 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 -0.883 2.304 -5.101 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 1.120 1.581 1.722 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 6.838 13.572 -2.466 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 -5.021 -13.014 -7.156 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 -0.410 0.681 3.358 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 9.082 19.172 17.061 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 -17.424 3.314 -22.590 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 1.678 2.142 3.960 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 -0.812 -0.389 0.905 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 -2.600 4.693 2.449 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 -3.665 -3.326 1.071 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 -2.993 14.121 3.499 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 0.231 -3.891 -14.085 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 -0.003 11.001 -2.790 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 -9.185 -8.012 7.469 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 10.694 -23.054 22.363 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 -8.544 -6.106 -0.293 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 -18.196 6.460 8.713 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 7.877 -6.801 8.623 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 -5.090 -5.384 2.047 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 22.902 1.212 1.458 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 -15.505 -10.386 0.857 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 -2.677 -4.017 -1.785 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 -8.233 9.092 0.749 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 -6.441 -2.423 -10.199 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 -4.066 6.942 2.876 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 -0.423 19.456 14.378 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 3.582 -8.471 9.119 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 4.614 1.525 -6.609 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 12.374 19.203 0.943 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 -1.503 2.665 0.818 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 2.656 1.722 0.735 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 -2.804 -7.665 -3.549 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 -5.772 6.082 5.680 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 4.115 -8.521 -1.744 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 12.089 -3.774 -4.094 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 -14.450 -11.112 1.948 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 1.291 -5.152 2.437 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 -16.111 4.424 -33.959 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 0.021 -17.000 31.427 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 2.274 -6.093 -1.089 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 -16.643 -7.775 -12.798 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 -9.211 5.128 0.522 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 -1.163 -4.825 0.695 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 -1.825 -7.868 2.186 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 1.733 -10.036 -2.552 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 -3.451 1.114 4.710 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 -21.809 12.524 -17.579 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 -2.159 1.578 8.988 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 -0.311 -1.714 -5.021 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 8.934 23.888 -17.537 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 -1.826 -14.027 -0.999 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 5.714 -0.159 3.077 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 -15.137 0.637 12.518 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 12.819 -8.907 -2.513 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 -2.848 2.119 -4.447 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 2.899 -7.251 -1.658 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 -9.391 5.637 1.235 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 -0.696 -5.088 1.765 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 -0.920 6.349 -7.653 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 15.212 36.532 -2.328 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 3.881 -0.955 -5.066 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 10.372 11.892 -8.337 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 10.988 -8.055 2.974 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 -5.869 3.341 -4.874 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 -4.128 -4.876 -6.188 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 10.106 -28.129 -5.990 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 4.602 2.229 2.264 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 -3.317 16.896 -6.175 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 17.546 -4.948 -9.633 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 -5.137 0.671 -4.736 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 -9.600 -3.430 7.156 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 -11.961 6.200 -10.540 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 6.677 8.885 4.783 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 1.299 -6.644 -13.109 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 -1.026 34.589 -6.409 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 3.422 0.906 -3.405 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 -6.144 -23.291 -3.171 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 -0.795 -5.815 0.618 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 5.515 4.874 5.203 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 27.103 -10.318 1.215 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 13.359 8.554 18.836 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 0.213 2.272 -3.831 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 -29.317 11.890 -36.568 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 -2.457 3.839 -7.705 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 -3.918 -1.406 4.886 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 -15.951 -10.785 -7.816 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 21.050 -13.733 8.593 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 -1.938 -5.759 0.527 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 0.926 -8.775 0.699 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 -7.107 -12.604 4.696 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 -1.088 -1.552 2.986 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 -5.517 1.088 1.421 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 -17.133 -19.802 18.076 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 0.883 -1.016 -5.324 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 12.275 -7.984 0.407 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 -2.360 5.216 9.046 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 -6.175 1.704 -3.401 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 -15.877 -5.114 11.066 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 -7.798 2.312 10.061 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 -0.928 6.229 -0.460 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 7.495 9.747 -0.797 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 1.976 7.035 8.325 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 -0.716 1.402 3.070 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 -3.137 4.717 4.233 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 12.003 -18.544 19.134 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 4.927 -0.168 2.884 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 25.992 12.024 1.069 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 12.310 -6.262 -1.725 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 -4.016 -0.286 4.639 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 -5.714 -14.086 8.734 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 -5.070 -9.406 9.855 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 7.887 -0.234 -2.800 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 5.125 -1.960 15.410 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 4.927 9.102 7.111 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 0.118 1.686 0.148 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 -0.983 0.395 0.271 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 -11.662 -0.384 -7.003 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 4.363 4.061 1.457 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 6.380 8.592 -15.907 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 -14.979 -0.934 -0.207 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 -3.497 -7.723 0.758 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 -2.455 -10.118 -3.818 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 -4.912 -5.372 4.659 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 -1.329 -5.649 1.002 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 -6.515 -9.968 -5.322 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 18.966 -0.855 4.367 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 -1.174 -1.219 -2.422 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 -14.593 -1.497 28.370 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 -10.164 -2.393 11.620 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 -0.924 4.642 -0.742 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 4.527 11.359 -5.724 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 -9.550 0.543 -3.264 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 2.587 0.691 -1.614 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 -0.827 -22.492 3.096 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 0.208 -8.195 -2.601 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 6.477 0.082 6.656 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 -18.403 -1.299 -2.508 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 -8.771 0.230 -2.652 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 0.518 -0.493 0.800 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 7.543 7.950 -1.498 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 -5.225 -7.668 2.004 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 1.928 -1.119 2.409 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 11.228 -1.953 -3.569 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 -4.218 13.059 -3.795 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 10.175 -0.955 -0.966 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 16.491 5.976 2.641 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 9.945 -6.877 -2.497 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 0.288 2.057 1.974 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 30.089 -13.656 -21.129 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 -30.492 7.748 11.069 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 4.124 1.980 -0.741 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 23.088 1.793 -1.371 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 0.749 1.699 -0.811 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 0.608 2.392 3.415 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 -7.404 13.175 30.151 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 4.735 3.156 6.606 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 1.340 3.721 -0.927 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 11.068 -0.377 -17.844 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 6.724 12.914 7.313 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 -3.364 0.263 8.294 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 -8.208 -1.715 11.433 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 13.778 -11.482 24.330 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 -5.209 0.590 4.251 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 -3.279 -4.843 13.442 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 -33.009 10.261 7.978 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 1.953 6.078 2.199 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 19.196 -12.176 29.498 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 8.905 13.219 -4.356 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 -1.774 -6.231 -2.058 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 2.162 5.412 9.394 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 -2.840 -4.160 -2.410 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 3.664 -5.043 8.621 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 4.364 -3.599 10.124 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 21.329 21.370 20.310 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 -4.837 -3.790 0.182 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 1.890 0.660 2.207 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 33.183 4.601 4.361 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 -5.471 -0.354 5.935 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 -1.930 7.270 6.976 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 -15.335 2.263 1.388 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 -2.113 -2.196 -3.987 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 -0.629 -8.594 -3.466 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 -0.119 -14.095 1.448 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 2.998 -4.228 4.301 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 7.531 -11.258 -11.640 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 9.147 -2.098 -5.271 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 1.568 -0.218 -2.770 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 1.439 0.548 -17.900 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 11.998 1.527 -4.996 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 -4.796 -1.904 2.289 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 -26.144 -2.645 -31.687 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 -8.914 -7.367 -3.852 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 1.848 3.617 2.641 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 8.059 1.310 3.421 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 -1.373 -0.483 3.836 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 1.925 -12.580 -0.982 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 -18.352 11.953 8.195 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 -0.439 -11.789 -30.311 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 2.133 -5.431 -0.589 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 9.238 7.575 8.023 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 -0.134 -23.212 5.816 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 1.444 1.336 3.289 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 -1.965 -11.150 20.477 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 -26.557 -7.277 1.475 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 8.929 -0.911 4.157 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 13.682 37.306 24.599 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 6.247 -5.255 6.744 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 4.028 -6.198 0.573 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 6.340 -6.488 0.065 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 3.100 -2.824 15.066 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 2.045 1.269 -3.829 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 -0.956 14.167 -2.762 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 8.231 3.345 -5.496 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 3.420 2.691 1.598 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 -10.478 -3.596 1.393 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 14.026 -5.910 -13.711 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 0.954 7.166 9.936 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 -3.233 9.423 8.661 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 9.843 0.464 4.242 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 -2.695 6.030 0.981 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 -6.074 9.441 -10.945 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 -12.623 -1.925 2.507 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 -1.948 -0.502 -3.198 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 -2.896 4.541 0.223 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 0.735 1.911 -8.821 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 -2.303 1.621 1.418 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 -28.195 -10.357 0.564 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 -12.178 -0.807 9.922 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 5.401 -5.574 4.199 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 -8.589 10.497 3.053 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 -15.516 0.804 12.668 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 6.029 -0.812 -3.855 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 1.879 4.891 -0.070 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 1.580 19.281 3.091 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 -6.952 5.924 -5.502 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 -18.884 -21.139 13.061 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 -2.760 18.168 -25.826 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 -3.834 1.768 -7.824 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 -2.172 -1.875 14.729 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 -24.531 -24.628 -2.230 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 2.963 -2.418 -4.429 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 2.637 -3.796 -9.628 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 2.154 -8.977 11.769 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 -2.928 -3.714 -1.418 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 8.841 -6.980 -5.538 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 1.307 5.411 1.500 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 -1.365 0.956 -5.569 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 -8.105 4.347 27.583 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 2.584 -8.721 17.280 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 -1.953 -0.232 -1.580 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 -46.623 24.443 -18.252 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 6.935 3.096 -0.420 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 -0.744 -4.162 -0.975 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 -21.694 -7.120 -1.224 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 7.494 -21.180 -9.970 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 -0.216 -3.519 -2.658 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 18.457 -6.220 -22.627 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 10.137 14.690 7.766 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 4.328 -1.845 3.628 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 -15.260 -6.665 6.672 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 -0.257 -3.866 4.908 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 -0.953 10.353 2.071 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 1.659 13.367 -0.742 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 -2.583 10.147 1.293 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 -0.517 -1.831 0.318 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 -7.772 -4.253 -5.163 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 13.909 -1.294 0.908 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 -5.532 -0.915 -3.489 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 -19.433 -6.768 -11.731 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 -3.846 6.759 0.788 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 -0.041 0.084 5.867 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 -3.506 -5.363 7.458 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 -13.747 -6.245 16.471 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 0.304 -0.018 0.947 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 -22.626 7.303 7.410 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 0.555 4.076 -6.148 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 -4.157 -7.222 4.002 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 26.614 -29.599 -8.615 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 -6.719 2.643 -5.074 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 -6.041 -7.140 5.233 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 -7.860 -6.739 0.877 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 -6.214 -6.936 5.244 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 2.019 -2.575 -4.181 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 -6.503 -5.314 -2.546 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 3.551 -1.943 -3.728 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 3.883 0.396 2.653 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 16.873 -5.391 -27.281 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 16.590 -19.102 13.603 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 -1.426 -0.158 -1.261 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 -13.027 3.248 3.913 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 12.342 1.363 -10.360 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 -2.091 -1.615 -1.939 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 -12.825 -2.075 -9.996 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 -8.351 -11.082 -8.171 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 -4.962 -1.556 1.006 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 3.344 -0.331 -1.727 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 -9.769 -3.518 -2.271 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 0.453 8.311 4.091 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 -7.857 9.509 -1.993 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 5.921 10.390 10.108 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 4.682 -0.317 -4.698 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 2.951 -1.839 -4.038 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 9.532 2.057 -4.531 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 4.164 3.284 -0.942 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 22.387 3.064 -11.917 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 1.754 2.822 3.458 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 -2.501 0.025 -4.921 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 2.413 9.753 -2.877 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 -11.607 1.768 -0.544 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 4.428 -5.311 11.056 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 18.033 17.822 0.516 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 0.265 -8.203 12.712 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 1.033 1.973 -4.500 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 7.253 1.550 -1.974 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 15.548 11.387 -12.662 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 2.531 -2.698 2.299 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 -5.255 21.447 -3.612 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 2.824 -4.160 -3.861 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 2.117 -2.189 1.552 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 -2.903 -7.015 5.959 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 1.263 -4.766 3.075 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 -0.708 -0.360 -0.141 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 -0.689 -0.070 7.843 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 6.831 -4.458 -2.206 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 3.557 -7.558 1.936 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 3.310 4.057 -0.913 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 -20.865 -17.675 -2.740 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 4.502 2.922 2.212 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 -13.166 -2.942 2.927 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 2.727 15.472 -19.886 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 0.166 2.516 3.496 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 10.840 -2.561 8.700 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 -3.312 13.394 9.911 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 8.483 4.125 5.181 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 -15.991 17.562 -20.424 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 5.659 6.670 0.476 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 -1.092 1.440 -1.109 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 9.939 2.230 10.347 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 -4.214 19.171 -11.964 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 7.193 1.318 1.281 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 25.470 -0.085 11.191 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -4.426 -13.165 10.887 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 3.922 -0.766 -0.499 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 6.835 3.815 7.034 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 -6.025 9.455 2.280 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 2.044 1.488 -3.456 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 3.217 7.464 1.060 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 -2.350 -18.573 2.179 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 2.767 2.943 4.868 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 -15.382 6.535 20.042 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 3.863 -17.985 2.297 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 0.232 3.589 1.189 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 -2.309 3.441 -2.135 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 13.597 -1.007 7.262 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 4.931 0.138 -2.876 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 -10.688 2.875 -15.311 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 15.579 -0.164 6.951 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 1.668 1.496 2.237 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 15.399 25.355 -1.495 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 -21.532 21.162 22.579 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 -0.611 5.464 6.072 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 0.412 8.753 22.573 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 6.760 4.618 8.031 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 3.945 -1.932 4.067 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 2.884 1.871 6.723 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 -0.965 5.872 7.839 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 -6.297 -1.862 0.737 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 6.919 -7.341 -23.061 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 -15.138 -1.446 15.010 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 1.372 2.626 -0.796 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 -1.935 4.305 0.097 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 9.137 -3.592 -5.678 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 -2.870 0.898 -5.219 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 8.719 -14.320 11.178 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 0.100 -1.659 -4.430 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 -0.668 -0.155 -6.229 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 25.261 -49.567 21.875 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 -4.273 -4.597 6.069 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 -4.804 -0.283 1.628 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 -4.443 -0.091 1.444 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 -10.428 -16.925 19.750 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 -0.510 -4.378 0.438 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 -5.840 0.351 -12.333 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 19.551 -4.501 -14.774 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 4.436 5.764 2.117 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 -4.886 -13.223 1.924 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 7.118 -1.418 2.203 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 -1.320 -4.767 5.047 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 -10.817 -1.082 4.376 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 -19.448 0.351 1.946 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 4.472 -0.967 0.442 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 0.212 6.541 8.005 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 -8.643 -2.253 3.276 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 -0.282 -1.550 -3.797 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 1.884 0.822 -11.846 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 -15.824 2.086 0.573 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 1.504 0.937 2.992 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 -8.002 5.442 0.001 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 -0.335 0.063 -10.102 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 3.647 6.229 9.709 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 6.554 -7.856 3.756 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 1.788 9.100 10.490 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 -2.945 1.773 -1.195 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 10.268 5.818 21.029 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 -3.997 -31.181 -5.701 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 -1.622 0.926 -6.192 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 -1.713 0.154 -7.967 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 21.622 6.999 10.093 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 -3.784 -1.777 2.291 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 -21.917 -4.348 -3.264 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 -20.377 -9.539 -1.160 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 -0.291 -4.027 -2.674 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 6.195 5.559 3.581 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 -13.450 -15.375 -9.619 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 6.860 5.990 -2.855 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 10.786 2.984 6.256 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 11.134 6.374 -5.564 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 2.330 1.963 1.130 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 3.652 -0.875 3.040 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 8.170 15.630 4.518 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 -0.345 -2.603 -4.462 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 8.874 -4.591 1.077 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 -7.566 12.196 -15.423 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 -1.510 3.180 -0.694 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 -9.072 11.633 14.948 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 11.485 3.213 2.330 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 1.287 -3.216 6.461 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 5.755 21.355 -6.702 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 -0.965 -1.088 1.257 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 1.544 -1.212 -5.546 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 -11.277 24.023 3.858 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 -4.469 0.002 -17.545 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 -4.135 -3.328 6.207 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 5.920 -7.118 -1.888 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 2.788 -10.185 -9.319 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 -5.270 -1.142 2.141 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 -9.606 -5.443 -9.942 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 -10.258 -9.339 -0.786 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 7.290 -1.556 2.363 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 -1.712 -1.879 2.904 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 22.875 -20.050 16.540 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 1.348 7.622 -2.844 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 3.618 0.897 -15.207 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 -20.923 -0.589 5.763 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 3.270 2.228 4.170 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 -26.407 -13.394 -27.697 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 25.751 21.704 -14.798 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 -2.377 -7.055 0.049 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 1.145 -19.277 5.653 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 -3.232 -9.663 23.191 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 7.228 -1.877 -0.125 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 -6.456 -5.623 -17.937 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 -12.100 -4.103 25.266 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 2.202 3.951 0.391 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 4.888 2.035 -3.333 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 20.080 -11.281 -2.535 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 -7.087 -8.514 -6.446 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 21.494 -0.113 -6.816 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 -16.456 -3.709 16.771 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 2.077 -0.093 4.134 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 -24.541 -8.378 -0.490 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 4.260 19.317 20.240 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 -5.694 -0.465 -1.153 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 15.060 -9.537 20.182 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 -3.306 -5.503 -3.444 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 -3.076 -3.603 -3.095 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 1.559 2.500 8.215 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 -0.600 11.671 -1.050 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 0.901 0.602 -0.032 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 4.559 -5.364 7.519 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 -13.477 -32.313 -13.843 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 -6.766 -6.688 -3.665 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 -7.804 11.661 19.013 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 -23.294 -4.001 -10.242 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 3.760 -3.302 2.797 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 15.617 -19.299 2.832 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 5.847 1.382 8.470 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 2.602 1.101 -1.277 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 13.855 8.854 10.129 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 0.180 -8.102 -2.153 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 0.788 -2.183 -2.203 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 -9.112 22.984 3.028 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 8.129 -17.828 -9.257 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 -0.479 4.125 -2.418 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 7.969 0.767 -1.692 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 2.860 14.752 -4.080 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 6.705 -2.553 0.964 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 16.791 -3.143 22.896 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 3.132 3.748 -6.119 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 1.501 -3.138 -6.966 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 18.658 6.033 -10.248 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 -14.035 15.428 -0.078 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 -2.637 -1.044 -8.521 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 -1.017 10.355 -0.393 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 1.064 23.084 8.267 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 -1.684 3.953 -3.037 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 -18.284 16.601 -14.712 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 10.036 -1.124 -2.985 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 4.301 3.610 1.399 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 -5.006 -6.172 -1.085 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 -5.738 -11.087 -3.374 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 -1.012 -7.794 10.103 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 10.743 -10.807 17.527 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 0.242 -4.059 6.715 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 -1.318 1.325 -1.655 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 -15.444 7.490 3.946 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 6.114 -5.784 10.530 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 -2.132 -0.570 1.488 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 -3.586 0.599 3.001 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 -1.681 -1.023 1.816 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 1.097 -5.510 0.735 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 -8.036 -12.523 -1.460 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 9.867 19.964 -7.248 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 -8.279 -1.204 3.478 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 -8.514 -0.078 7.541 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 -0.425 -0.939 20.419 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 -3.607 -2.772 -1.593 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 2.934 3.465 7.923 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 -9.577 -13.237 -9.974 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 -0.287 0.062 1.523 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 0.821 -13.307 1.817 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 -1.376 1.625 -10.161 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 2.951 0.841 5.594 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 6.798 18.176 -3.983 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 6.866 1.091 6.221 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 -1.565 0.930 3.373 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 -3.914 -0.982 4.154 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 0.725 -3.048 3.194 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 6.792 0.720 1.734 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 12.949 2.342 2.185 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 -3.040 -12.546 -1.163 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 0.879 -0.298 5.147 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 12.612 -7.033 -6.556 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 -1.869 2.134 8.557 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 6.567 2.118 3.035 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 6.482 8.711 16.155 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 11.589 11.775 -5.495 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 7.884 0.081 0.394 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 14.292 -4.376 5.703 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 20.112 -13.347 4.874 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 -2.039 3.360 5.409 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 -7.416 13.191 29.098 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 -8.123 -7.511 5.445 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 3.062 7.607 -4.341 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 1.189 11.687 0.402 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 -3.040 3.539 0.980 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 -4.416 -0.264 2.319 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 -13.704 3.922 7.098 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 -1.181 -9.404 9.279 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 -7.340 3.809 -2.594 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 -6.119 5.090 0.389 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 -11.244 7.132 -5.569 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 1.009 -0.820 0.498 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 4.729 -33.208 8.766 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 18.394 17.410 23.899 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 -0.668 1.021 0.687 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 -5.846 1.481 -1.446 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 -3.532 6.742 0.006 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 -0.912 -4.029 -6.805 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 11.633 -9.381 0.423 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 -11.840 -6.090 -1.702 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 2.267 2.262 5.840 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 9.016 -5.920 1.546 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 6.568 -4.534 4.634 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 4.212 -3.185 4.685 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 10.926 -9.167 -3.804 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 -6.177 -3.069 -1.321 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 3.388 5.141 -4.233 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 6.989 -0.862 -6.217 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 3.276 13.103 0.339 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 5.324 -1.083 0.043 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 -13.794 -3.609 8.189 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 -23.274 -2.110 7.134 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 -6.273 1.787 -1.563 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 -18.052 2.637 -0.217 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 19.979 10.959 -3.462 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 1.063 0.490 0.007 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 11.777 3.723 1.284 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 -2.771 -6.935 1.519 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 6.273 3.542 1.128 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 1.161 3.099 20.309 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 -2.004 -15.701 -5.268 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 -4.012 0.196 -2.591 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 14.408 15.339 3.775 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 -7.928 -3.194 -5.269 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 4.778 -1.129 -0.522 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 5.089 14.046 -4.979 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 15.893 24.312 -4.967 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 -3.307 -0.976 -1.309 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 16.862 -14.380 27.761 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 -1.581 3.656 -25.264 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 -1.081 3.413 -2.279 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 0.343 -8.770 -3.828 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 -2.750 -1.481 1.771 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 -0.666 -0.058 -2.172 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 -14.861 10.640 -16.969 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 10.668 -7.697 1.538 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 3.686 4.365 5.581 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 13.816 -22.484 -18.582 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 4.734 -3.627 0.773 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 -1.768 -0.356 -8.880 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 0.201 6.464 -1.662 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 5.689 23.119 20.257 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 2.165 2.624 1.120 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 -5.448 1.753 -17.846 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 -3.895 2.223 -13.328 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 -3.252 -3.676 1.474 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 14.306 -13.165 -11.244 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 -4.188 -18.216 19.968 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 -0.850 4.812 2.098 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 2.942 -4.629 -6.442 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 1.412 -4.461 -3.599 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 1.865 -0.291 3.602 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 -3.408 -11.635 4.221 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 -1.000 6.956 -9.465 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 -0.841 -3.716 -10.296 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 -6.600 -15.465 -13.508 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 2.161 -12.742 5.182 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 6.998 7.278 -5.660 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 14.083 -0.263 -7.130 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 9.986 6.602 -10.332 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 -5.056 3.792 0.789 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 -0.863 15.531 -1.968 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 -12.224 -6.781 4.673 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 1.122 0.363 8.195 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 5.076 -0.302 -8.093 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 23.325 1.790 21.726 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 2.439 -2.271 -3.131 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 4.743 -0.807 -12.221 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 3.886 2.806 3.093 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 -1.379 -0.163 -4.992 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 -6.752 13.012 -10.656 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 5.592 4.316 -0.132 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 -1.412 -1.117 3.961 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 11.665 -4.664 -11.177 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 0.077 -11.884 13.162 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 -2.293 -1.986 7.505 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 -1.527 -10.376 5.570 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 6.762 2.750 5.078 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 8.055 3.115 1.285 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 30.034 -2.909 -0.185 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 24.686 11.416 -21.078 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 3.953 -4.340 -0.052 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 5.934 -10.376 -7.227 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 7.961 -17.045 7.542 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 7.818 3.505 3.658 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 2.579 10.366 -21.921 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 -5.599 8.127 15.900 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 6.543 5.521 -2.031 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 4.533 11.394 -2.601 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 4.854 8.309 7.393 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 -0.503 -3.389 -0.902 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 -0.225 -5.790 -0.080 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 -2.013 -0.093 -4.239 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 -0.492 3.560 1.577 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 3.635 17.695 -6.873 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 9.577 3.098 7.960 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 1.755 -1.782 2.316 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 3.957 2.021 -25.460 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 13.631 9.442 -0.798 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 4.018 -2.917 0.493 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 4.162 0.630 2.063 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 -11.322 5.504 -1.585 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 -6.885 2.045 -0.272 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 2.144 2.556 9.028 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 1.748 17.035 -5.811 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 0.626 4.432 -2.217 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 28.936 39.897 -28.470 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 18.332 4.357 -11.092 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 5.835 2.548 3.438 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 23.003 7.030 8.445 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 23.217 32.877 -3.643 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 -4.825 -6.050 0.998 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 -8.241 3.596 10.630 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 -11.401 -6.177 9.017 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 -2.513 4.217 0.487 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 5.205 -15.574 4.137 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 -21.313 -16.968 -11.267 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 -2.006 7.467 5.744 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 12.977 0.006 0.327 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 -2.317 -1.157 4.303 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 1.639 3.285 5.779 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 1.213 0.879 2.876 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 0.849 3.301 10.556 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 2.057 -2.547 1.800 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 12.949 2.411 4.234 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 -13.468 -5.085 -5.213 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 -7.804 0.519 -8.035 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 -25.711 -6.133 -3.968 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 -14.093 14.777 -12.720 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 2.025 -0.353 2.291 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 0.797 27.930 -3.088 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 0.644 7.456 2.529 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 0.801 -1.675 -3.288 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 -7.957 16.504 -13.121 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 -2.663 3.830 11.388 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 -1.248 2.795 3.752 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 7.098 1.161 9.277 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 12.000 -38.101 15.681 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 3.832 0.349 2.092 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 -15.044 -9.377 13.625 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 -7.727 7.967 -19.497 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 -4.445 0.425 -4.479 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 15.933 15.457 -8.981 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 -3.392 4.191 -15.101 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 -5.445 -5.800 0.510 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 13.199 9.691 -18.980 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 -5.336 -31.737 -25.706 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 1.882 0.531 4.167 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 -14.022 -8.738 17.505 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 -2.305 2.897 -26.833 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 2.390 -1.608 -0.789 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 -10.728 30.568 -5.834 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 -4.048 -14.375 11.379 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 2.540 -4.310 -4.238 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 3.563 -7.731 -5.382 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 -4.253 -0.374 -5.589 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 9.969 -4.694 1.829 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 -1.723 -11.024 -0.620 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 10.513 -5.480 12.839 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 4.912 -5.622 2.899 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 3.660 -4.302 3.760 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 20.038 -15.884 5.129 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 -5.105 -7.581 1.333 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 10.811 -27.585 -7.441 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 -13.764 -4.688 4.513 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 10.026 -4.169 -5.649 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -15.675 8.546 -18.300 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 -0.271 16.642 26.211 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 3.303 -2.401 3.981 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 1.945 4.774 3.957 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 -23.415 11.035 -6.483 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 -3.070 -2.561 0.557 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 15.588 8.978 15.954 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 -6.686 -1.349 0.141 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 0.218 1.340 -3.724 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 -10.485 -10.600 25.762 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 2.091 4.608 -14.459 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 -1.357 5.945 -4.666 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 1.595 3.174 1.336 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 16.724 19.168 -32.975 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 5.966 -3.528 -0.892 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 -13.121 -18.749 -10.021 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 0.670 -8.248 3.772 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 4.175 -0.811 -2.142 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 11.479 2.247 -1.664 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 -36.754 13.085 -32.090 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 0.643 -0.405 -4.110 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 18.883 5.628 -1.315 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 -4.138 10.440 41.268 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 4.136 -1.000 3.293 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 9.777 -7.416 -9.407 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 1.642 -1.952 10.386 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 2.358 -1.305 -6.566 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 15.181 -16.533 5.690 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 -0.432 -11.575 11.652 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 0.671 -4.293 -7.575 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 22.887 3.783 0.601 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 -9.726 3.642 -12.126 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 1.615 1.741 -3.085 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 -11.972 -2.597 6.204 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 -14.055 -0.739 24.597 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 -1.819 6.448 2.423 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 -0.802 0.828 4.832 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 5.577 -9.023 -17.776 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 4.674 -1.135 5.041 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 3.855 7.976 10.739 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 -9.231 -6.465 9.903 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 4.048 5.748 -0.956 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 -8.347 5.512 -15.076 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 -0.937 4.013 -5.081 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 -7.555 5.087 1.219 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 -15.418 0.540 -5.293 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 -4.939 -16.273 -11.725 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 -0.757 -2.264 6.658 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 -6.803 6.648 6.536 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 -5.482 6.565 2.551 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 4.754 1.510 2.466 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 3.230 -25.718 -10.506 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 -17.653 0.120 11.079 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 -1.410 2.743 -1.810 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 4.654 -10.121 3.797 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 -13.700 41.362 -15.586 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 -4.488 -4.689 2.127 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 -8.774 -6.684 5.035 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 1.234 5.422 -9.782 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 -0.260 -5.019 -0.466 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 -1.910 -6.654 -2.393 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 4.608 5.105 9.951 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 0.424 -3.895 1.152 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 -6.165 -12.146 10.517 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 -0.287 -5.903 -0.656 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 1.062 -1.705 -1.162 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 -5.788 0.715 0.652 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 1.317 2.321 -7.645 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 5.336 0.542 -1.002 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 -14.234 7.642 -11.550 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 -3.294 -5.836 -7.285 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 -2.943 0.576 -0.323 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 -15.777 4.172 -11.369 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 6.489 -4.727 3.327 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 1.647 -6.936 -2.518 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 7.459 5.216 1.761 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 6.694 -16.274 6.950 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 -7.803 -8.146 0.279 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 10.571 10.433 13.939 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 -12.899 -13.004 -1.080 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 4.126 -0.327 14.182 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 2.879 -6.839 12.154 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 -6.247 -0.424 10.251 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 -1.546 -0.632 -0.626 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 -3.041 3.677 2.322 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 2.178 0.998 7.376 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 3.718 -7.049 3.183 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 7.325 -1.052 7.671 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 0.039 -5.910 4.246 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 -1.730 5.234 0.377 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 15.509 16.833 8.148 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 6.143 -10.469 -7.199 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 -1.670 -2.301 -2.634 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 7.738 3.844 -4.863 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 -14.839 4.075 5.099 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 -1.615 2.602 -2.637 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 7.860 5.935 -10.993 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 4.857 -4.467 -10.265 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 -3.508 -2.649 -0.457 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 -26.994 -1.296 6.696 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 -26.909 4.905 -6.569 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 2.946 -3.611 1.374 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 5.721 -30.632 -9.619 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 -5.205 -14.328 -17.565 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 -3.153 1.088 -10.905 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 9.184 -12.611 -5.376 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 -3.059 1.575 -11.794 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 6.280 6.405 -0.871 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 10.973 -22.757 4.619 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 21.480 26.987 9.921 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 3.242 4.406 3.100 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 0.952 -3.783 -6.679 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 3.765 -32.570 -28.691 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 -6.731 1.842 -1.621 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 -7.151 -11.320 -16.890 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 -2.461 -2.768 -6.554 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 1.630 -1.958 2.384 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 -7.607 -26.306 -10.957 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 14.869 -2.609 10.525 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 1.102 4.697 1.006 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 -0.299 18.817 2.176 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 0.179 29.166 4.372 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 0.662 5.543 -3.802 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 4.046 -16.192 -6.336 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 3.441 -25.267 -11.492 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 -10.441 -4.017 -1.115 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 -1.343 8.703 -5.949 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 -7.239 -0.578 2.281 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 4.148 4.369 1.730 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 -5.417 6.492 2.988 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 -4.336 3.707 6.094 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 -0.062 1.080 6.441 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 -4.991 -3.701 1.473 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 -3.975 3.740 -5.781 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 -9.928 -5.911 1.426 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 34.350 -13.245 1.254 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 -21.885 -12.929 -7.675 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 0.085 1.332 1.852 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 -4.183 6.470 4.156 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 5.801 3.720 0.602 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 -4.629 -4.934 1.909 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 -0.828 -3.080 -6.443 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 7.799 5.166 7.110 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 7.064 6.899 -2.387 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 6.188 -21.939 12.692 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 3.448 7.668 2.311 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 -6.174 -0.697 2.824 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 -20.716 4.965 6.500 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 -0.806 3.858 4.143 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 0.607 -3.052 -2.695 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 -4.099 16.095 6.100 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 6.487 5.893 1.594 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 -6.360 0.284 -1.136 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 14.803 24.180 -4.455 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 -8.860 13.232 -11.632 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 -1.457 -2.478 2.332 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 -22.988 6.036 7.545 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 16.931 -1.474 -0.650 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 -0.017 -3.490 4.377 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 11.108 2.620 19.701 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 11.900 16.600 26.338 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 -1.036 1.772 0.507 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 -3.339 4.435 1.531 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 -15.756 35.526 10.551 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 3.994 -0.940 1.794 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 -3.646 -23.307 16.328 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 12.942 13.405 9.689 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 2.848 -1.869 -0.457 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 0.424 -13.183 2.455 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 6.238 16.088 0.664 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 -3.172 -3.368 3.902 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 2.401 3.518 -8.881 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 -9.768 -10.141 15.123 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 6.150 -3.448 4.030 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 -1.995 -2.740 -9.745 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 14.678 -13.438 0.934 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 -1.601 3.853 -0.503 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 -3.851 1.594 -7.315 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 9.068 15.079 27.933 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 7.409 1.547 3.748 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 -0.170 4.993 4.661 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 8.062 -2.250 5.350 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 4.534 -0.098 -3.491 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 7.606 -12.689 2.614 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 16.614 4.530 -10.229 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 1.278 3.068 3.251 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 4.177 14.963 18.781 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 16.984 3.686 -12.538 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 -1.067 -3.988 -6.170 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 -7.135 -12.895 6.469 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 -8.043 -1.759 5.664 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 8.968 -6.869 -2.867 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 5.438 -13.396 -14.428 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 15.477 5.345 -6.916 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 2.132 2.508 -1.482 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 12.914 -0.229 -10.828 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 -4.989 19.545 -13.047 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 1.491 -4.190 -15.443 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 -1.419 0.691 -10.553 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 6.558 -14.416 -21.168 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 -4.672 -2.605 1.916 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 -7.912 -8.881 -2.487 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 -4.908 -3.517 1.622 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 -1.868 -6.121 5.647 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 -1.364 5.507 1.717 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 -12.547 -9.006 4.887 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 4.503 -7.559 3.676 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 -13.876 6.267 17.634 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 -8.083 2.463 3.283 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 -1.189 -3.174 -2.671 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 8.000 5.020 -0.718 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 3.700 -10.649 7.476 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 -1.301 -1.874 5.526 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 -1.652 -16.094 11.334 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 1.955 0.765 0.926 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 -2.697 2.279 -0.309 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 -8.879 12.346 5.061 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 1.535 5.104 0.536 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 5.734 -2.195 -4.690 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 4.891 -13.766 -27.981 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 12.493 -3.704 -14.885 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 -10.200 8.883 -1.250 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 -14.158 3.806 -5.275 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 -4.451 8.448 1.328 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 -2.634 5.889 -0.514 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 29.339 8.130 11.482 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 -8.515 19.185 28.285 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 2.790 3.357 -5.313 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 0.651 -18.290 4.953 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 -11.781 0.039 -18.206 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 8.680 -0.394 0.547 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 13.440 -9.713 18.965 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 14.249 -20.945 28.184 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 -2.486 6.598 2.412 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 6.733 9.339 3.780 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 6.108 -2.715 13.798 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 2.327 -6.354 0.525 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 -0.035 13.409 15.778 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 -6.460 -4.378 10.829 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 -4.312 -2.897 0.497 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 -8.479 12.619 -1.759 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 -10.744 -8.464 7.344 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 -4.078 -1.268 2.622 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 -4.684 3.934 2.797 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 -5.865 2.562 3.928 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 -2.557 6.654 -4.441 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 15.855 5.461 -18.751 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 -2.262 11.463 16.139 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 -3.720 1.960 -5.811 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 -0.163 4.427 -6.616 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 5.511 -1.581 -21.007 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 -3.018 -2.265 0.605 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 -3.042 -8.271 -3.154 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 -22.512 5.684 5.789 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 4.371 -2.775 2.679 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 -1.393 5.504 2.765 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 -0.251 -5.493 8.867 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 0.696 6.296 1.761 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 -8.675 11.282 -8.533 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 -8.385 0.425 -11.934 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 -5.532 3.386 2.979 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 2.064 2.809 -12.920 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 3.771 17.294 11.625 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 0.861 -1.433 -1.268 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 -7.714 -10.575 0.124 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 17.015 -2.376 7.622 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 -0.799 1.550 0.387 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 1.603 0.619 -0.170 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 4.166 9.336 5.922 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 -0.434 -3.790 -1.220 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 8.479 -4.903 -36.277 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 -0.140 -3.712 -3.673 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 -1.221 3.672 3.690 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 24.439 -2.491 9.451 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 -13.922 -19.630 2.716 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 5.641 2.937 -2.749 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 -5.515 -0.912 -10.569 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 2.508 0.071 13.192 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 3.429 2.473 0.241 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 0.286 -35.874 -13.534 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 -1.511 -8.459 -2.164 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 -1.057 -0.131 -1.353 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 7.907 -18.688 7.493 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 -7.748 -19.089 8.243 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 0.551 0.529 3.784 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 1.070 5.738 1.628 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 -4.020 -15.095 3.179 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 5.559 -1.351 -1.278 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 24.174 -18.260 -2.359 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 -2.310 -2.665 -22.395 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 -0.290 -4.551 2.903 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 4.449 -6.082 -4.975 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 -2.617 -3.002 1.676 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 2.129 -4.005 1.708 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 8.185 21.286 2.931 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 2.253 40.801 2.074 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 5.771 6.774 -2.178 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 9.018 6.697 0.164 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 18.104 0.427 -1.516 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 4.502 7.735 -1.343 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 -9.068 -14.270 -11.434 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 1.401 21.030 -12.733 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 -2.363 -0.488 -5.229 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 -24.879 15.363 8.207 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 -7.494 1.348 1.159 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 -5.942 -2.646 1.068 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 -16.252 -1.668 1.022 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 25.523 -4.363 -6.397 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 1.809 1.140 3.179 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 -9.547 3.004 7.985 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 19.531 -15.982 -1.054 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 2.027 -2.015 -7.178 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 -1.056 -5.786 2.372 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 3.387 -5.975 -15.174 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 0.522 -6.247 2.444 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 5.668 -2.517 -4.631 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 -8.095 11.072 5.571 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 0.810 -0.745 -1.202 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 -21.206 9.433 -1.409 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 11.947 1.646 7.349 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 -0.607 -3.408 1.382 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 -7.714 0.489 -16.408 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 -10.007 3.975 8.000 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 0.289 -3.134 -0.071 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 14.133 -1.586 -5.771 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 -19.882 -10.842 -1.700 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 -1.383 1.168 -0.779 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 -10.603 -9.153 -5.251 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 -4.158 5.438 10.781 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 -0.471 0.650 -1.601 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 -17.980 -5.573 4.799 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 2.544 -10.182 -16.890 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 3.011 2.377 12.210 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 8.306 -0.968 13.428 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 9.778 -7.101 14.308 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 -2.681 2.229 -7.842 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 -10.716 21.766 -17.263 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 -2.828 -12.770 -20.234 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 -0.808 -1.387 0.978 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 -1.865 29.869 -18.772 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 -3.063 6.564 -7.196 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 -0.329 5.215 4.948 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 7.187 12.638 3.258 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 -14.539 -5.707 5.880 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 2.790 0.023 -5.218 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 -4.969 -10.376 0.407 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 4.647 -18.354 -15.904 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 -0.496 1.291 2.868 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 -15.830 5.997 -4.254 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 -0.302 -5.956 24.385 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 4.348 -1.360 0.661 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 1.359 -13.588 -9.171 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 1.398 5.273 -17.926 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 -0.229 -6.469 3.741 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 0.747 -3.751 7.372 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 4.339 0.076 -6.624 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 -0.597 2.590 -5.024 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 -2.050 -0.108 -0.227 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 9.164 8.122 1.615 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 5.984 10.820 -8.640 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 1.880 3.024 -19.230 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 -29.099 -5.745 -4.715 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 -1.726 1.883 -3.636 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 38.263 2.598 -12.664 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 -18.383 22.335 36.244 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 -3.289 3.271 -6.653 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 -4.377 3.139 -10.161 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 -3.730 3.299 -8.401 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 -0.399 -4.556 -1.856 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 -9.830 22.961 -33.433 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 -19.948 -0.659 16.640 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 1.995 0.960 -1.228 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 -1.008 2.211 0.473 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 6.737 10.513 -13.007 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 1.951 6.434 -4.882 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 -10.721 -7.849 13.432 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 13.635 5.004 -10.271 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 2.579 2.398 -1.507 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 21.462 0.888 18.033 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 18.892 0.669 17.565 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 2.526 2.474 3.706 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 8.211 -6.728 -4.597 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 12.409 13.163 5.087 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 -3.027 -1.689 -1.437 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 -5.819 3.055 -20.413 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 -15.427 4.167 9.996 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 0.224 -1.455 0.837 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 10.586 1.961 -8.012 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 0.352 -2.010 0.890 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 -2.243 1.005 3.800 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 2.691 -6.966 3.532 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 -1.847 10.945 -4.375 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 1.979 -4.287 -1.579 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 0.551 0.322 -4.991 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 -10.684 5.198 -16.307 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 -0.517 1.158 -4.137 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 0.931 7.817 -13.403 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 9.110 13.989 -2.753 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 -6.114 0.979 7.884 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 -5.289 2.522 8.740 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 -9.693 -4.595 -0.785 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 -0.313 -4.962 -2.038 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 -7.633 10.825 -15.539 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 8.962 2.365 1.351 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 5.850 2.611 7.565 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 15.415 -5.073 1.330 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 -6.331 -9.167 -5.096 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 2.066 0.212 -1.499 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 -1.012 -12.337 2.595 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 -6.892 -6.580 -2.268 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 2.067 2.261 -1.719 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 -11.439 0.405 -21.455 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 10.347 2.153 -1.155 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 5.105 -0.447 -5.297 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 -1.003 -9.852 -37.287 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 5.076 31.019 -19.852 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 -4.120 -0.175 -0.106 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 -7.911 7.402 -10.715 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 11.407 -29.198 5.767 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 -1.189 -3.508 -2.131 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 -0.549 6.849 -6.124 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 12.459 -3.515 -7.517 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 -0.225 6.669 -1.496 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 2.040 -0.999 -8.323 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 0.945 -2.880 -7.188 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 -2.055 -1.584 -0.383 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 1.923 -7.903 -1.965 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 -1.082 5.235 0.728 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 4.782 -2.192 -2.246 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 15.155 -4.168 -8.025 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 15.755 4.748 6.793 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 4.863 1.353 2.105 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 -3.583 -12.490 -6.203 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 1.211 -3.430 11.207 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 -0.724 -4.770 -1.076 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 3.957 -10.127 -17.295 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 24.019 -4.854 -28.478 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 5.755 -3.356 5.850 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 27.192 28.182 -13.966 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 -8.986 -38.455 -7.230 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 0.571 -3.268 -3.254 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 11.385 -15.344 -16.269 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 -7.094 5.668 -2.471 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 -8.518 1.948 4.979 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 -15.479 -2.575 5.561 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 -5.319 7.869 -5.300 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 2.601 -0.889 -3.577 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 12.918 -22.750 -0.436 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 1.132 21.153 -11.590 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 -4.881 3.190 0.424 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 -2.713 -2.278 -1.845 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 -1.401 8.436 -5.047 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 0.650 1.640 2.335 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 -4.695 6.630 -9.510 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 0.124 7.560 -1.831 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 2.165 -1.143 -1.920 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 7.856 -10.841 -0.318 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 -22.742 2.822 4.796 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 8.485 -2.612 -3.207 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 16.770 -18.048 9.956 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 14.697 11.254 0.482 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 3.214 5.321 -3.049 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 11.906 4.211 0.503 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 7.736 4.433 -8.589 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 0.690 -1.194 -4.284 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 -3.446 -5.956 -14.509 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 -16.150 -14.123 0.731 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 7.253 -2.442 -1.429 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 18.953 -8.246 -1.451 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 6.653 -6.955 5.292 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 -1.962 -6.104 1.969 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 11.157 -22.154 9.183 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 -18.038 1.901 1.179 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 -1.419 -7.039 -0.893 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 -2.123 3.981 1.022 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 -5.701 -0.441 5.117 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 3.950 4.871 1.262 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 2.359 6.115 0.856 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 0.990 17.377 -28.738 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 6.061 5.585 1.475 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 2.994 5.205 -3.744 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 8.412 6.973 3.634 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 4.491 -4.407 3.147 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 10.521 -11.458 10.696 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 -2.030 -14.023 13.911 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 1.876 -0.589 1.634 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 -15.205 10.165 19.975 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 8.933 11.500 7.284 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 -2.660 -3.387 4.477 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 -2.212 10.755 1.432 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 8.615 11.204 30.932 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 1.852 -4.160 4.338 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 23.207 -1.164 -14.358 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 -12.826 4.651 20.612 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 -1.631 3.092 -5.753 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 -18.466 -12.638 8.931 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 -10.476 -2.859 -1.537 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 -6.666 0.128 1.268 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 -8.891 -8.304 9.630 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 1.484 -24.363 18.824 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -10.350 3.895 4.854 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 -1.901 -3.317 8.487 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 -22.841 12.440 0.969 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 1.835 1.890 -1.356 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 -4.534 5.752 7.680 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 23.775 -0.879 -7.478 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 5.176 1.036 -3.541 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 0.365 -10.067 22.176 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 -0.659 3.468 -0.350 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 -4.346 -4.567 3.672 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 -4.179 -6.745 0.479 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 -5.189 -4.430 5.658 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 1.589 0.734 0.538 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 13.285 13.944 -9.415 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 -1.162 -7.886 -6.200 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 -8.577 3.223 -1.952 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 -6.711 4.890 -10.105 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 -11.886 2.100 0.908 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 -3.406 -3.115 -0.779 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 -7.686 -0.373 9.961 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 -2.950 -11.042 -3.591 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 -5.753 -2.345 4.262 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 -24.747 4.813 -18.313 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 -4.245 -0.646 15.393 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 -4.832 5.350 1.052 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 11.660 4.690 0.244 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 -1.043 5.493 -0.982 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 -0.244 4.636 4.989 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 -0.486 -13.146 -18.526 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 3.602 -7.668 -3.244 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 -6.203 -5.800 6.204 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 24.165 -0.043 15.794 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 -14.443 -2.487 2.508 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 -5.299 0.265 2.923 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 -7.086 12.153 -0.965 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 -5.565 -5.367 -7.505 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 -0.763 -1.562 -6.952 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 4.308 -24.205 0.890 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 -10.232 -5.948 -10.718 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 5.253 -3.816 2.255 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 1.697 0.718 -17.283 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 33.850 -14.372 10.182 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 1.614 -2.829 -0.674 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 -5.605 7.890 10.338 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 11.490 -17.034 -0.265 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 -6.002 1.233 3.411 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 -1.353 -4.311 9.175 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 -3.859 0.713 0.831 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 1.043 -5.399 0.556 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 2.613 2.418 2.063 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 12.088 -2.942 1.112 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 -6.031 -7.539 2.186 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 -18.144 -5.088 -8.003 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 7.536 -11.480 16.183 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 0.611 6.064 2.371 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 3.971 3.009 8.353 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 -8.760 10.421 -11.715 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 -1.270 -2.169 -1.758 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 1.574 -0.330 -4.528 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 -10.707 -4.425 4.795 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 1.981 -0.215 -7.055 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 -6.135 -5.259 -10.691 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 6.002 5.411 -13.706 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 -4.159 2.671 -0.377 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 -10.375 2.026 -2.161 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 0.457 -2.711 2.122 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 -1.030 -5.026 -5.105 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 -17.889 -5.728 21.421 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 -1.013 -8.894 -7.174 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 -0.376 -4.276 -2.051 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 8.428 -22.005 -2.353 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 0.928 12.257 5.525 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 -3.588 3.927 0.549 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 -9.782 9.981 -2.414 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 1.485 -7.003 0.915 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 1.587 0.975 2.316 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 -0.381 -24.995 -6.970 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 34.815 9.870 14.731 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 -1.634 -1.744 -1.907 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 -23.808 -9.893 19.177 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 -23.877 14.997 1.656 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 6.880 4.176 4.642 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 -9.493 -21.936 0.051 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 11.556 6.437 20.565 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 5.231 -0.297 -1.693 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 -9.484 21.437 -10.172 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 -15.957 -19.041 2.790 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 -4.516 0.177 1.413 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 13.752 -10.074 -27.874 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 -12.372 4.982 -7.135 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 -1.600 2.504 -4.023 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 -25.729 -12.038 -12.387 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 -6.658 11.990 27.885 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 -0.392 5.903 -0.225 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 -2.621 12.891 -14.009 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 1.196 -0.017 9.690 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 1.924 -3.788 -1.671 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 12.869 -2.686 0.435 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 -4.095 -10.387 -9.818 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 0.016 -5.084 3.076 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 2.226 -6.148 9.131 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 0.690 10.491 -4.186 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 7.114 -0.217 3.848 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 3.035 12.160 -13.601 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 -0.541 9.367 10.619 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 -0.218 2.881 2.540 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 4.933 12.134 16.601 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 -2.007 -1.280 18.063 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 -2.564 -0.325 1.011 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 -5.513 12.462 -1.221 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 -8.054 7.536 10.934 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 -5.263 3.779 1.174 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 5.586 -6.639 -8.940 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 -4.226 -15.020 -2.890 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 -5.629 -4.864 2.127 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 -6.042 -14.087 6.547 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 -10.286 -3.380 -6.691 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 0.408 4.334 -2.722 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 -2.293 10.832 -13.634 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 -10.315 4.282 4.901 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 -4.267 -5.652 -9.812 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 -7.619 4.916 2.533 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 -10.863 -6.636 -10.541 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 -3.667 -3.739 -1.544 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 -6.143 -5.586 -31.069 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 -11.707 -8.512 10.793 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 -4.999 2.637 -4.273 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 -12.823 -20.856 3.281 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 -9.518 -8.592 -5.774 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 -1.867 -3.569 -2.475 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 -4.571 3.300 -5.524 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 -9.555 -8.860 -1.025 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 -3.138 -1.552 4.042 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 17.896 -10.163 -6.689 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 -4.203 -9.868 7.670 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 0.453 -1.898 -0.828 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 14.978 -9.508 6.641 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 -12.156 -2.234 16.636 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 -8.747 -3.505 1.581 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 8.313 -1.416 32.510 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 -1.135 -3.228 15.343 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 7.249 1.604 -2.951 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 4.809 -3.325 -2.314 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 19.486 -2.125 2.417 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 1.057 -1.891 3.712 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 1.313 6.076 9.916 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 1.050 -15.910 -8.335 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 7.055 -2.751 -2.839 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 5.287 1.113 -3.156 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 3.852 -1.306 2.597 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 2.495 3.979 -4.789 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 -21.065 -14.140 1.491 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 -4.197 -6.387 -9.232 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 1.966 5.375 -1.415 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 -12.222 2.778 3.143 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 7.157 -5.628 0.951 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 7.718 -6.682 -1.801 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 11.561 6.290 16.396 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 7.459 -0.320 11.076 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 1.831 1.419 4.195 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 12.334 20.520 0.849 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 -8.041 -3.869 5.308 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 0.967 3.106 4.536 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 -3.969 2.836 -13.930 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 5.078 -4.232 13.192 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 3.316 5.830 0.653 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 4.845 1.723 -0.810 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 1.241 11.241 9.993 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 -5.236 -3.544 -1.911 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 -12.654 6.195 -8.551 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 -1.526 12.976 -23.452 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 -1.773 -0.230 -5.978 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 6.321 2.546 4.493 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 7.048 -2.082 -1.928 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 7.591 -3.576 -13.204 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 15.063 -2.974 -23.599 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 4.995 5.684 -25.841 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 3.709 -9.903 -3.638 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 16.790 -12.275 16.358 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 19.524 -13.478 21.834 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 -1.802 1.316 -4.119 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 -5.679 3.728 -5.110 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 -19.849 15.868 -9.723 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 4.045 3.196 -1.747 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 -9.061 0.000 -32.812 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 -24.272 -5.580 -11.658 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 -0.067 -0.851 2.426 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 4.470 -4.472 3.044 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 15.240 -4.125 13.522 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 -2.630 -4.940 3.762 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 -5.616 -3.365 20.458 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 2.371 -6.232 9.118 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 3.991 3.619 -1.427 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 18.021 6.137 -19.918 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 -10.345 -19.267 0.109 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 3.821 7.496 9.470 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 20.812 7.258 5.330 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 -6.856 8.970 5.702 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 5.136 1.111 7.629 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 31.147 18.635 5.381 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 -4.864 13.283 10.695 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 -3.643 -1.959 1.554 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 18.568 14.902 6.419 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 -13.760 -6.307 0.876 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 2.262 1.473 -1.458 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 5.978 -10.045 -18.021 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 -0.973 11.340 -10.265 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 1.672 3.418 0.843 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 1.490 16.088 -12.002 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 1.073 -21.620 -26.155 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 -0.435 4.686 -3.467 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 -28.182 -26.966 14.795 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 -0.494 7.877 -1.425 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 2.470 7.991 -1.605 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 -0.432 6.033 2.911 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 3.092 8.740 -1.744 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 2.406 4.150 0.031 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 -4.411 -4.570 -0.480 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 0.522 11.842 8.984 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 1.531 -0.018 -8.532 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 14.942 -7.253 8.287 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 29.429 5.455 -0.703 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 6.955 -2.400 0.862 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 5.868 2.239 11.671 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 8.317 -3.950 -1.301 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 1.604 -4.372 4.831 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 15.494 2.559 14.622 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 -1.076 0.148 9.466 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 -0.858 3.983 -6.283 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 -8.324 -3.664 -11.240 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 -5.335 -0.156 -5.710 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 -5.370 3.570 5.127 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 -24.388 5.809 -7.332 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 11.261 -5.794 -12.822 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 -4.103 4.252 -0.640 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 25.160 -2.951 -6.354 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 -14.645 -5.775 -1.621 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 2.878 -3.398 3.983 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 6.124 1.257 18.645 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 7.914 3.947 -5.055 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 1.696 -1.377 -0.205 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 -6.587 7.816 -7.122 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 19.725 -12.727 22.328 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 2.528 -2.146 -9.527 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 -11.835 -5.870 -12.388 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 7.892 2.558 -6.638 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 3.166 -1.382 2.380 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 18.168 -0.647 16.393 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 -3.670 0.398 -4.347 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 2.523 2.442 -0.443 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 -1.244 2.779 1.049 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 6.369 7.016 2.095 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 -0.285 -1.425 2.383 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 -3.323 2.758 2.489 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 -15.975 14.458 -3.193 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 7.274 -4.039 0.535 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 10.213 3.561 -5.109 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 -7.502 -11.317 26.358 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 -2.793 -2.805 3.032 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 -6.945 -13.913 -10.746 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 -1.449 -6.151 -3.200 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 2.532 7.547 3.229 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 -8.279 -4.269 4.180 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 -13.428 1.753 7.094 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 2.567 -6.435 -3.723 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 -9.044 -1.471 -10.082 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 4.742 -4.413 4.839 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 6.608 -2.065 2.503 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 2.030 -17.611 -6.715 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 19.131 -1.814 8.228 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 2.510 9.675 1.214 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 8.722 -10.691 13.908 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 -5.308 30.606 -13.098 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 -0.535 -1.132 -5.499 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 -13.438 -1.301 5.101 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 -1.357 -2.413 -13.812 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 -0.495 -1.171 1.349 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 -7.427 24.543 10.032 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 -0.837 7.852 -4.206 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 3.226 -0.656 -0.995 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 -17.864 -2.825 -28.526 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 -10.657 -1.077 -16.866 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 4.318 -2.597 0.429 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 8.067 -8.128 -4.708 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 6.847 -7.502 -7.215 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 -0.908 1.866 -7.429 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 -1.417 6.323 -4.293 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 -3.900 9.683 -6.228 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 -1.725 -1.097 2.292 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 -11.286 -7.272 -7.359 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 -10.391 2.180 9.683 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 2.650 1.835 -0.919 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 -0.334 -2.328 -9.300 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 1.073 -1.641 -8.175 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 -1.245 2.608 -3.406 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 0.093 19.241 -3.604 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 -11.152 -15.623 1.186 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 -1.866 3.040 2.612 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 4.970 -14.646 4.788 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 -20.732 -1.264 2.596 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 -0.173 6.063 0.685 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 -11.517 9.229 -4.349 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 9.150 5.811 4.732 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 -5.312 -3.515 1.295 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 -0.276 24.899 -5.839 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 -11.323 -6.438 -0.888 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 -6.132 3.032 7.802 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 -12.496 0.595 7.924 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 -2.610 -0.155 4.434 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 4.430 -0.244 0.561 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 -11.718 16.607 -18.763 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 -6.112 -28.853 18.446 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 4.503 1.465 -1.423 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 3.908 -9.528 -3.561 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 17.653 10.219 4.499 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 2.148 -1.209 -4.162 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 -9.158 -4.352 -11.789 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 14.369 2.008 3.840 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 0.042 -1.868 9.116 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 10.628 3.586 5.293 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 -13.219 -10.274 0.361 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 -7.246 2.533 2.515 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 -3.347 10.918 -12.312 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 -0.850 -6.694 -0.123 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 -4.284 0.607 5.586 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 -6.837 10.837 -0.068 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 2.355 2.673 16.525 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 6.815 2.321 -5.953 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 -10.663 5.439 -33.037 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 -2.630 -2.622 4.955 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 -0.889 -5.004 -2.012 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 -0.704 -17.268 29.647 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 -16.856 -11.766 -12.589 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 3.725 2.292 2.615 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 16.774 11.918 15.730 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 -12.793 13.820 3.949 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 -2.018 5.088 2.352 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 1.288 0.580 5.669 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 3.767 -3.318 1.312 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 0.909 -0.581 3.259 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 9.188 -0.544 -18.266 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 -14.662 15.562 0.007 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 4.313 2.233 -3.614 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 -7.659 0.008 -13.126 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 -2.752 4.054 1.213 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 -2.399 4.210 1.550 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 24.035 2.921 -5.863 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 20.723 0.292 -11.322 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 -2.366 -3.373 -1.701 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 -4.723 11.840 -8.243 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 -4.164 -7.014 18.977 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 -6.876 1.514 -3.344 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 -2.378 6.478 5.322 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 -17.225 4.916 1.791 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 -9.063 -1.745 3.097 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 -11.719 13.116 2.958 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 0.494 -26.736 -4.619 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 5.010 1.181 -0.004 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 9.872 13.069 -2.515 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 4.138 -1.006 0.336 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 0.994 -2.002 -0.501 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 15.755 -11.996 6.029 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 -11.321 6.409 11.641 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 3.013 1.106 7.802 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 5.687 10.060 -14.928 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 -6.669 1.368 -16.107 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 4.521 -4.086 9.052 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 14.438 18.652 -8.074 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 4.785 -0.703 13.366 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 -1.861 -2.289 0.768 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 -5.792 14.194 -3.718 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 -16.232 -6.067 -12.169 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 -6.970 -2.393 -2.938 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 -14.837 -9.072 20.699 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 -3.994 -0.189 -11.854 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 3.449 9.341 -0.964 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 -4.052 -2.045 -14.890 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 -1.218 -1.649 -0.019 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 -2.017 1.256 -3.282 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 -6.352 -10.526 -9.911 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 6.773 7.834 -13.557 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 0.429 -5.882 3.674 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 -7.682 1.508 10.905 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 0.381 -6.533 -15.477 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 -1.325 -1.017 5.962 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 3.601 -3.510 3.713 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 -1.896 -3.655 -1.629 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 4.119 1.528 2.935 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 1.017 8.916 1.065 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 13.147 -5.161 -19.376 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 1.147 3.592 1.940 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 -16.672 -5.663 3.217 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 8.961 -0.751 2.100 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 -5.312 -4.850 0.824 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 8.391 -4.308 -13.410 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 -12.661 -19.536 22.809 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 1.810 1.796 -0.087 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 -4.270 -12.723 -4.561 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 -4.398 11.602 -7.075 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 0.108 -0.686 0.241 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 1.255 -4.779 -7.260 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 12.189 3.747 5.751 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 1.114 5.953 7.106 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 -10.121 26.254 10.149 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 4.997 -9.625 -9.013 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 -1.529 -2.324 -0.808 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 -7.296 -2.924 -2.805 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 -7.685 -2.792 -3.041 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 0.602 3.359 -6.595 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 7.683 16.458 9.532 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 -2.107 11.296 -8.193 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 8.132 -5.303 1.364 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 17.615 1.707 0.352 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 4.343 -6.819 1.028 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 -0.700 6.941 2.849 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 12.493 12.554 17.977 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 -6.559 -11.792 7.758 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 -6.895 -9.410 -0.307 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 -3.647 -2.373 1.081 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 5.620 8.209 -1.913 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 -0.202 -0.372 -6.345 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 15.477 -5.193 -21.413 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 2.572 17.043 1.197 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 -3.829 -6.489 2.319 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 -6.679 8.702 4.387 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 -2.246 2.550 10.483 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 -1.255 0.299 -0.523 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 -9.343 -4.810 -2.968 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 7.825 1.336 7.798 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 -5.298 4.131 3.310 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 -1.584 -15.975 15.070 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 11.804 -9.319 -22.750 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 -0.084 -0.822 1.824 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 -3.700 -10.093 19.204 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 0.007 -0.578 0.486 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 3.781 1.184 -0.705 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 -2.548 -12.061 21.239 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 14.278 21.870 9.223 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 3.023 3.822 -2.152 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 11.634 -3.440 0.971 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 3.770 6.545 -17.723 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 2.716 4.619 1.555 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 5.199 8.528 6.261 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 22.730 -9.061 -11.002 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 -2.389 1.643 -3.915 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 9.770 -9.910 -9.345 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 -7.425 -5.264 5.354 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 -4.655 -0.183 3.588 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 5.600 -14.301 17.646 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 0.475 -9.619 17.543 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 0.698 -0.648 -4.093 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 -1.692 -7.568 -16.305 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 17.617 8.966 -14.039 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 -2.456 4.588 2.263 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 0.854 -9.368 6.298 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 0.895 7.590 2.698 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 3.678 -5.467 -6.768 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 -25.855 -11.295 -17.609 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 1.953 18.054 13.435 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 -1.172 -1.469 6.906 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 -9.915 1.245 7.285 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 -3.456 -8.778 -3.277 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 -0.347 -4.849 -3.647 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 -6.836 27.034 41.994 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 3.201 -15.493 -6.949 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 -4.504 0.820 -5.046 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 21.735 0.008 -20.753 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 -28.212 -2.672 8.572 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 -5.229 -3.529 7.021 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 1.364 -8.970 3.668 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 -8.440 2.195 8.402 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 5.737 1.268 0.325 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 -11.969 -21.920 -11.368 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 -1.936 -17.604 -1.042 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 -2.025 -3.682 3.568 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 -26.895 -3.270 4.001 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 1.095 -5.731 5.491 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 3.115 -5.776 10.389 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 -4.940 -17.291 -11.387 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 -2.202 -19.004 -3.382 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 -0.521 -3.962 2.544 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 3.551 -1.095 7.393 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 7.489 2.200 12.433 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 6.531 -0.103 -6.564 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 14.462 8.743 -13.999 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 2.611 9.222 4.533 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 4.948 1.134 -2.304 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 -1.754 -3.813 -11.857 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 -11.155 4.270 2.086 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 -1.618 -2.820 -4.584 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 -11.110 4.907 -11.389 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 15.250 0.361 -19.175 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 2.682 -2.021 0.555 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 22.002 -12.635 -7.098 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 -14.509 16.418 -7.828 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 1.806 2.330 -1.725 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 19.667 6.682 2.037 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 2.973 6.103 -6.531 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 2.960 2.284 -2.263 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 -15.100 14.600 -27.038 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 -13.923 -11.891 -2.005 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 -8.724 -0.602 -4.632 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 6.498 -1.381 -10.544 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 -3.997 3.444 9.291 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 -8.456 0.162 1.706 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 7.177 8.641 -8.485 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 3.382 -5.268 -9.773 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 2.033 1.859 3.702 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 -10.442 -9.304 -3.051 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 14.266 16.456 7.052 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 1.536 6.464 -2.806 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 7.219 2.498 -21.358 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 5.048 -6.981 8.229 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 0.876 -7.731 0.581 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 -0.067 7.469 -12.567 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 -12.285 -2.642 15.006 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 -8.031 -7.133 1.637 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 0.504 -12.368 -1.606 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 0.155 1.418 -12.120 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 -2.167 -2.099 -5.203 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 -2.416 -1.125 -5.766 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 4.906 -3.137 6.091 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 0.826 7.392 2.420 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 6.502 3.848 -3.494 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 -16.884 -4.088 -22.321 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 4.380 0.987 7.629 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 22.798 24.197 9.037 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 0.846 -0.574 -14.746 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 -5.569 6.685 6.309 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 -8.990 4.815 -10.850 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 -8.843 3.587 -18.798 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 2.398 9.871 8.575 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 -1.405 -0.298 -0.989 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 -0.971 3.525 19.456 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 -0.610 0.462 1.536 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 -9.071 -18.705 -3.150 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 14.413 4.317 16.045 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 2.303 -5.781 -5.000 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 0.437 -0.789 -0.313 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 -7.414 16.253 15.340 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 -1.567 1.264 1.750 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 0.267 -9.332 3.746 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 -3.597 -1.089 -2.380 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 6.687 -1.874 -0.646 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 -30.865 -8.961 -24.720 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 -5.549 -5.543 -18.570 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 -0.589 -1.471 3.990 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 -3.931 -1.479 12.000 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 12.508 -9.797 8.883 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 2.571 1.321 1.292 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 5.592 -9.198 -12.807 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 1.481 19.301 12.588 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 -2.209 -3.460 -9.496 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 -6.554 -0.385 -20.082 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 8.023 -2.369 -9.606 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 -4.043 3.749 -2.458 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 11.251 -9.822 -2.525 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 -6.802 -1.618 6.139 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 -0.266 3.923 4.800 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 -3.459 7.428 7.444 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 -5.415 -0.719 16.093 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 -0.776 4.160 1.135 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 4.698 11.080 -3.953 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 -1.648 -2.549 -6.282 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 2.139 2.936 -3.491 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 -3.692 23.097 -7.515 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 -8.144 16.360 -6.085 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 6.912 4.811 -0.093 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 -7.948 -13.986 -18.629 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 -15.644 3.886 17.772 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 1.772 2.525 -3.232 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 4.023 1.915 -2.622 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 -1.603 2.129 -1.994 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 -3.632 5.674 -4.146 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 -6.751 6.033 -9.082 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 -2.504 11.978 -1.754 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 0.073 0.995 -2.784 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 -22.153 -14.377 -2.904 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 4.669 -4.524 5.324 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 -3.979 6.544 2.225 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 -0.882 16.442 -17.123 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 -18.114 -11.504 0.495 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 -2.213 3.926 4.188 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 -3.957 0.308 -20.665 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 -9.204 -2.466 16.897 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 -0.049 -1.011 3.664 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 2.092 11.341 18.913 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 2.859 14.635 22.237 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 0.313 -2.739 -1.701 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 -15.159 -26.011 -21.553 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 -8.573 19.811 3.968 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 9.300 -0.778 8.612 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 10.893 -6.772 13.483 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 9.869 -10.271 15.971 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 -3.043 -2.274 7.147 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 -1.502 -3.327 17.861 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 6.973 32.932 9.531 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 0.361 -1.962 6.529 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 22.781 3.120 5.111 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 -1.802 2.352 -20.418 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 -1.988 11.519 1.236 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 5.933 15.660 -8.355 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 -6.883 34.719 -2.780 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 2.360 -0.681 3.797 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 -0.992 3.226 10.335 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 7.169 -11.356 10.798 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 -2.828 -1.425 -1.350 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 -11.852 -11.346 5.512 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 0.561 1.317 8.128 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 -5.722 0.368 -3.840 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 -1.018 3.563 -4.664 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 -10.053 20.302 -1.822 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 0.431 0.686 -2.635 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 -13.368 23.956 -0.345 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 -5.787 13.257 -2.203 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 -0.709 1.070 6.922 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 -18.029 -2.646 10.156 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 15.988 -8.457 -8.465 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 -2.589 3.369 1.052 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 -9.853 9.548 -9.172 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 -6.784 -8.238 -7.958 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 4.749 -0.367 5.152 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 12.067 -6.295 22.164 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 9.865 -4.351 16.922 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 -8.965 -5.793 1.252 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 -15.581 7.795 9.156 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 -15.574 1.207 7.984 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 2.548 -0.428 -4.308 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 -1.167 -19.135 -32.542 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 23.206 -5.052 1.906 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 5.950 5.183 2.188 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 -0.993 4.354 14.151 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 3.842 16.570 1.111 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 1.915 1.052 4.108 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 4.757 1.527 6.192 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 17.526 8.986 18.844 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 3.573 0.484 -4.978 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 3.787 10.631 3.302 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 24.301 -5.843 -5.946 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 0.395 5.355 5.242 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 -6.804 -1.517 -17.763 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 -8.883 2.263 2.333 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 -0.417 5.033 1.363 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 -4.789 7.671 5.964 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 5.961 9.943 0.447 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 1.268 -4.892 -3.717 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 -0.072 -1.614 3.894 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 -5.342 -2.447 -8.636 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 -1.268 2.009 1.116 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 6.186 -1.349 11.597 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 9.001 -6.002 1.417 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 2.514 4.727 1.886 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 -2.682 8.852 4.640 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 -4.922 2.772 -4.893 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 7.811 -0.919 -0.088 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 -11.528 3.870 25.287 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 4.672 -39.174 11.811 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 10.929 1.258 2.288 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 -2.762 33.240 6.508 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 0.949 -26.546 11.780 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 0.185 6.021 -0.242 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 7.044 7.039 22.495 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 7.654 -2.221 -4.524 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 -6.526 -2.859 4.589 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 -5.457 6.682 -25.060 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 -2.744 -2.267 5.787 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 -5.010 -0.483 -0.325 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 4.945 -9.148 -4.767 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 -0.519 -8.009 -16.634 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 2.047 5.478 0.421 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 1.670 7.062 -0.035 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 2.234 5.548 -0.881 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 0.101 -0.283 -2.073 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 2.310 -5.814 -4.081 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 -5.167 6.682 -1.796 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 -0.280 1.062 0.268 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 -0.588 3.050 10.960 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 -3.315 -11.469 22.762 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 -2.086 -5.227 -2.729 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 9.749 -9.487 0.091 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 -7.439 -3.554 8.455 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 -2.506 4.465 1.111 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 -12.630 -2.668 4.270 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 4.692 2.945 13.413 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 -6.806 1.371 6.579 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 6.525 21.182 -10.760 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 3.807 12.688 17.181 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 -6.437 -4.355 -6.404 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 11.330 -1.603 -16.512 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 7.022 -18.756 4.338 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 1.310 -0.928 -1.635 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 -13.692 -0.962 -20.231 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 10.563 -0.884 11.249 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 -1.256 3.869 -3.547 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 5.330 -12.843 3.977 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 -3.912 -9.751 16.788 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 0.654 -0.303 1.061 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 5.999 0.913 3.208 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 -6.661 -7.033 1.491 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 0.621 3.606 -0.438 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 -10.125 -1.983 -6.766 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 -20.595 -14.133 5.269 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 0.920 0.396 -0.588 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 18.081 -2.562 -9.696 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 9.410 -9.545 7.240 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 -1.002 -1.792 2.450 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 6.624 3.128 21.181 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 -9.627 0.102 -5.785 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 1.725 0.751 -3.805 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 -5.079 -0.037 -1.518 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 7.110 6.079 -10.663 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 3.178 3.614 -0.419 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 8.278 7.286 12.913 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 0.343 18.618 -3.129 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 4.494 -3.063 0.983 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 5.690 -7.120 19.585 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 -15.113 9.153 -7.774 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 -5.381 -5.550 6.798 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 5.973 -5.462 -17.179 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 11.361 -9.593 -12.453 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 0.309 -0.271 2.914 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 -12.527 -3.531 -5.351 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 7.105 -3.729 7.398 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 1.077 -6.806 -1.428 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 11.217 -8.150 5.192 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 -10.512 -17.114 3.619 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 -0.637 2.719 -1.631 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 -6.053 10.249 -6.800 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 14.468 6.099 -1.162 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 -6.758 -4.683 2.430 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 -0.741 -3.031 6.237 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 -8.110 -5.076 1.457 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 -0.526 0.279 -1.523 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 0.140 10.866 -11.759 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 10.456 0.204 -3.412 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 -4.309 -3.582 1.272 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 -0.424 -9.709 17.680 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 -8.996 10.068 -16.607 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 -2.503 3.638 -2.031 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 7.789 11.875 -8.586 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 2.539 4.175 -6.947 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 -0.233 -1.116 -8.812 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 10.679 -4.851 0.902 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 5.393 -6.237 -4.262 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 3.794 2.089 2.627 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 -0.494 7.625 2.312 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 -5.584 13.840 -7.141 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 -0.797 -9.837 -1.850 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 -3.405 -15.809 -8.486 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 -22.732 14.346 14.248 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 -5.475 3.676 -4.917 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 -6.954 29.297 -7.445 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 -19.085 -8.192 10.771 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 -1.089 1.375 0.308 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 13.704 12.919 -4.366 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 -11.178 -10.677 5.083 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 3.705 -3.262 -0.793 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 -4.997 -12.616 2.622 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 -2.552 -11.229 1.342 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 6.392 -2.492 -2.114 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 -2.833 -2.365 -12.859 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 1.239 -12.987 -1.325 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 -2.890 2.268 -4.751 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 4.011 18.967 -26.181 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 6.110 10.793 3.602 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 3.442 -4.111 -2.428 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 0.632 -17.459 1.496 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 3.471 -4.292 11.527 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 4.331 2.387 0.170 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 14.584 12.395 15.216 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 -14.571 -2.671 8.074 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 -1.905 4.061 -0.177 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 -1.455 10.995 -7.544 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 2.112 -16.001 -4.524 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 -9.691 -0.738 -7.323 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 -15.275 18.501 16.208 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 -2.950 2.124 -7.188 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 -0.002 -0.957 2.201 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 3.984 -19.279 -4.009 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 0.902 -7.309 12.885 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 -3.718 2.405 3.343 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 14.914 1.185 -2.067 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 7.133 16.132 -8.190 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 1.403 2.307 -0.197 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 -14.262 1.617 8.831 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 -6.401 2.679 5.074 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 5.110 5.387 -2.452 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 20.874 18.145 2.891 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 11.220 -14.038 1.149 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 2.607 0.916 1.490 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 -4.193 6.141 -10.197 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 -6.854 -14.943 5.010 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 -1.555 -5.147 0.942 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 -6.840 -11.988 -2.277 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 -14.160 -4.996 -12.729 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 -3.891 3.753 0.479 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 18.452 0.602 28.957 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 -22.684 5.911 13.953 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 11.613 0.784 2.278 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 11.846 -1.233 9.661 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 9.820 -5.185 7.978 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 1.657 5.236 3.208 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 -2.449 5.141 7.401 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 -7.807 5.876 11.071 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 -1.080 -6.797 2.914 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 4.631 -16.638 0.798 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 9.579 -12.040 16.632 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 4.843 3.633 1.013 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 -1.854 -15.889 -5.554 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 -5.037 15.925 21.218 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 9.413 5.920 -3.997 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 0.162 6.943 0.993 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 2.413 7.073 -1.476 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 5.122 4.235 1.904 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 -0.631 9.796 -2.234 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 -1.122 -5.738 2.728 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 2.150 -1.330 -2.042 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 -7.276 10.053 10.887 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 -11.960 12.544 -14.190 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 2.102 0.958 -3.827 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 -21.178 0.509 -10.836 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 8.651 -3.277 -5.122 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 -0.042 1.302 0.595 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 15.816 -1.587 -7.292 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 -12.750 -2.271 -13.437 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 -0.347 -6.727 1.230 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 0.975 -21.046 19.907 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 0.625 21.482 -12.129 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 -3.543 6.079 -4.944 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 -8.600 5.270 0.625 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 -2.982 22.688 -16.706 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 0.150 -1.198 -7.450 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 12.710 19.450 -0.546 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 -19.899 10.729 -12.111 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 -5.084 0.977 6.595 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 0.038 -11.262 11.160 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 -9.586 26.552 -4.517 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 -1.478 0.092 2.217 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 -3.842 0.944 2.577 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 -8.230 14.971 1.304 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 -7.038 -0.640 2.565 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 -42.441 20.189 -1.603 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 16.278 26.577 -8.419 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 -2.994 -9.627 0.656 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 1.932 -17.748 -9.853 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 -4.996 -5.072 4.027 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 0.387 2.639 2.001 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 -13.617 -10.102 12.626 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 10.977 22.543 -12.791 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 -5.908 -2.198 3.034 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 14.619 -9.105 -8.375 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 -3.241 13.876 12.816 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 -4.545 -8.622 -12.510 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 8.133 -9.699 -8.603 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 14.726 4.691 -32.232 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 4.259 -1.285 -4.948 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 1.113 -2.977 -2.161 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 4.554 -0.195 -1.262 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 -6.248 0.247 -4.286 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 -2.407 3.801 -10.484 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 3.823 5.868 -5.479 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 -4.526 0.799 3.793 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 -5.514 0.276 -13.001 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 13.926 22.072 10.947 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 5.966 -1.962 -4.714 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 7.613 10.255 7.178 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 5.804 -11.038 -22.742 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 -3.408 -3.384 3.929 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 -5.222 -26.726 10.941 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 -5.636 -10.235 -15.366 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 -2.546 2.209 5.803 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 9.236 -2.407 8.886 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 -44.759 20.502 -6.211 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 4.375 -5.474 -4.108 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 -1.483 -48.180 -3.417 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 5.811 -19.457 -36.350 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 -2.262 -4.459 0.922 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 -3.658 3.764 -3.213 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 30.979 -30.718 23.103 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 -1.340 -1.355 -8.960 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 -15.073 14.588 2.134 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 0.418 -7.849 8.300 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 -6.527 1.872 2.430 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 -6.504 8.880 -10.452 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 -15.867 -18.097 24.692 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 -0.087 4.780 0.195 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 -9.196 1.112 -6.190 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 4.451 -4.211 -4.831 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 3.892 2.700 -4.084 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 10.414 17.171 16.462 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 1.913 2.210 -1.494 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 4.809 -3.400 1.379 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 -15.558 21.950 -2.739 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 7.475 4.903 5.061 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 4.586 -1.671 4.253 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 -13.140 15.770 17.990 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 -9.217 17.614 12.302 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 5.593 -7.317 -3.052 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 2.832 -8.758 -2.022 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 -23.970 -15.364 9.789 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 -3.841 -0.095 -0.428 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 18.213 -15.139 -6.821 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 -10.584 -2.004 -16.650 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 -1.215 2.038 -2.837 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 11.695 8.389 -0.775 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 -0.004 22.474 -12.915 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 -0.851 -1.599 -1.759 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 12.118 14.644 4.104 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 -4.409 -3.579 0.388 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 6.584 -2.089 1.234 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 12.785 18.076 -36.457 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 11.064 -10.440 23.420 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 9.744 -2.687 1.976 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 9.406 -4.759 15.474 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 5.181 -13.928 4.539 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 -8.079 6.991 -6.435 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 -6.796 7.765 -7.189 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 22.312 23.388 -26.515 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 -0.163 -3.573 3.227 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 1.044 -25.769 -0.715 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 1.293 -14.327 1.334 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 6.344 4.551 -3.577 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 -1.395 -3.474 -10.722 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 19.884 2.546 -11.225 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 5.728 10.233 4.368 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 -10.199 -11.302 -14.926 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 15.862 24.357 15.965 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 -0.346 -3.502 -4.435 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 -15.598 1.911 3.574 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 18.952 -9.857 12.251 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 -3.451 3.355 -4.326 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 -8.623 -0.053 -0.180 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 -3.160 -0.585 -7.805 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 0.156 0.801 -0.118 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 1.240 5.613 6.850 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 -9.625 -2.302 8.779 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 0.076 -3.126 -1.061 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 3.208 -0.047 -2.995 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 0.146 31.176 5.355 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 -1.520 -3.539 2.864 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 17.579 -1.436 -2.932 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 -28.437 -5.529 11.006 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 -3.804 -2.066 -0.663 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 -6.666 19.943 15.807 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 6.344 -11.742 -6.770 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 4.476 5.721 -1.228 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 -2.495 -3.173 -8.818 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 -10.737 -3.721 -19.406 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 -2.296 1.482 -0.241 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 2.935 -19.034 -1.880 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 -2.472 -6.102 2.579 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 1.133 3.006 3.499 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 0.468 18.433 18.404 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 4.883 3.241 3.447 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 2.186 4.294 7.299 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 4.748 3.505 -7.337 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 3.700 4.002 -0.873 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 -3.307 1.514 -0.012 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 1.507 -28.018 -19.914 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 -12.461 2.548 -8.525 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 -6.891 -0.505 -2.993 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 0.066 -7.209 8.248 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 -12.384 0.216 -8.113 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 0.917 0.824 -2.752 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 -22.695 7.049 -3.150 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 19.034 -3.420 -2.724 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 -1.245 -3.843 -0.036 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 -6.499 -5.841 0.772 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 -3.436 -1.523 -2.325 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 -0.833 6.091 -1.727 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 -3.597 -1.156 1.983 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 -5.783 2.190 -4.470 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 -1.117 6.111 -0.766 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 7.085 -3.404 0.744 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 12.080 2.780 6.326 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 -3.987 -9.816 1.348 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 10.082 -19.264 4.280 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 8.235 -20.625 -24.001 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 2.676 1.738 3.603 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 6.089 -1.519 4.672 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 3.450 2.659 1.858 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 -0.180 -1.725 -1.634 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 -8.298 -7.410 1.436 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 -6.885 -14.742 9.390 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 2.963 2.827 9.570 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 1.190 3.255 8.876 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 3.400 0.340 12.847 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 -2.294 2.455 12.306 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 -6.017 -2.651 8.707 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 -11.033 4.546 -0.877 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 -2.147 -0.780 -5.152 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 -3.125 -9.946 -21.394 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 -8.104 -3.444 -23.734 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 -0.743 3.653 2.728 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 -0.911 3.521 2.640 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 -5.044 -1.721 -3.328 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 0.578 2.900 3.629 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 0.816 1.258 2.713 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 2.027 7.938 5.969 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 -1.000 0.722 -8.294 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 8.895 6.253 2.630 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 -8.385 -0.962 -0.430 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 -1.721 -4.796 -2.902 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 -12.245 -14.919 -2.293 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 12.339 22.368 5.524 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 1.707 -0.391 -2.286 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 20.040 -3.323 5.546 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 -11.533 -2.175 9.665 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 -4.444 -4.497 -6.709 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 -8.186 0.607 -8.604 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 2.545 -4.250 -3.560 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 -0.703 2.114 -0.605 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 -5.288 -3.913 2.297 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 2.616 -3.737 10.561 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 2.551 4.197 -0.507 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 3.316 -18.241 1.807 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 -9.045 9.784 -17.621 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 5.602 2.261 0.168 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 -16.362 15.313 6.218 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 9.860 -18.605 -2.399 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 1.796 0.535 -5.017 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 -2.742 2.681 -18.888 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 -17.193 23.984 4.151 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 0.605 7.268 -2.346 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 -15.822 -1.669 -4.261 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 15.283 5.778 -1.214 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 -0.505 -2.010 4.293 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 -9.976 -5.238 -24.739 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 0.333 4.278 -0.497 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 -1.378 1.776 -0.794 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 0.978 14.513 -1.237 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 -4.604 19.010 -8.764 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 -1.912 -2.820 -2.368 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 13.235 -4.937 -2.278 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 -9.714 5.403 2.834 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 -5.065 -4.963 -0.460 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 -3.179 -5.101 -0.571 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 5.714 -0.917 -1.172 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 1.591 2.925 -7.293 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 2.781 0.356 -10.618 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 -3.831 -0.730 5.093 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 0.499 -2.502 3.113 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 5.490 1.170 4.028 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 3.667 0.622 -3.081 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 5.500 6.722 -0.828 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 13.160 3.222 -14.494 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 9.094 9.583 -10.845 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 0.531 4.678 2.557 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 -10.108 10.108 -1.743 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 8.838 -1.886 8.024 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 -2.239 -9.414 -6.133 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 -1.153 -9.587 -9.812 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 -14.300 -6.397 -0.912 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 4.331 -1.412 -7.708 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 10.508 -4.212 -0.836 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 -6.847 -5.572 -13.402 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 -4.952 1.735 -3.115 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 13.359 5.164 1.508 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 4.747 2.875 2.864 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 1.171 0.183 4.580 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 11.093 22.649 1.860 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 -6.587 -14.262 -1.593 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 -0.555 0.615 5.457 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 -28.914 21.423 -3.668 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 -5.744 7.612 -10.931 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 -0.427 4.489 1.582 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 -30.926 2.306 24.131 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 22.633 2.965 -11.373 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 -4.672 -0.505 -1.646 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 15.517 -8.142 -3.243 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 4.535 0.949 -2.181 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 -4.095 -4.909 4.693 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 12.772 7.642 5.500 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 22.612 0.648 -8.924 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 2.507 4.731 -0.606 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 2.007 1.537 -4.084 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 0.970 -4.094 9.542 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 0.359 -4.204 5.490 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 -2.951 26.271 6.071 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 10.943 -5.459 2.803 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 3.207 -5.069 -0.104 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 10.995 6.344 -6.948 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 -17.205 24.380 -11.052 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 0.150 -4.165 -6.497 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 12.898 -10.213 8.080 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 -3.890 4.031 2.646 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 -0.283 -7.230 -3.322 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 4.723 0.946 -16.394 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 12.228 -2.409 10.707 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 -1.010 6.662 -4.227 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 -6.142 16.213 9.877 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 2.672 15.965 -19.310 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 3.534 2.121 -5.557 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 3.481 -2.580 -5.440 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 2.052 8.632 -5.362 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 2.978 -9.296 -0.372 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 -5.826 -9.120 3.140 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 -3.263 11.711 -6.926 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 -2.551 -1.314 -0.948 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 -0.805 6.715 19.177 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 7.651 -30.115 1.748 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 8.519 1.484 3.737 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 9.061 -1.906 2.962 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 12.483 -28.269 0.301 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 2.386 5.357 -3.150 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 -8.271 -4.464 15.913 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 17.037 -9.980 5.844 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 -6.596 1.105 -6.985 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 -0.292 -2.247 -7.774 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 -5.843 3.505 -1.004 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 2.546 9.617 5.258 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 18.036 -10.697 -8.715 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 2.762 -3.004 40.860 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 -4.839 3.648 -2.486 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 11.734 3.498 0.899 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 -9.986 -1.672 -5.878 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 -5.188 1.993 -2.652 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 -25.049 -18.030 5.042 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 -6.536 22.988 -14.624 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 -3.348 -5.317 3.046 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 -10.408 0.040 5.882 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 -17.377 9.758 14.925 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 -2.065 -0.106 1.484 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 2.868 -13.473 -5.483 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 2.246 7.884 14.443 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 2.438 3.726 -1.314 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 -13.347 5.290 -10.053 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 6.818 10.437 2.956 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 3.049 2.657 -1.995 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 -9.177 17.278 -8.394 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 15.683 8.608 15.111 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 4.717 0.208 0.251 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 -22.679 -1.598 -0.452 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 8.923 23.566 0.153 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 4.584 2.811 -5.074 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 19.651 16.808 -23.247 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 24.688 10.768 -8.933 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 2.584 -6.040 -6.731 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 -20.105 -15.291 -10.986 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 -7.667 -14.390 2.944 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 0.805 -2.403 -3.161 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 -5.309 -1.772 20.758 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 -5.218 -3.796 -13.183 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 -3.890 1.332 0.233 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 -14.364 -18.081 1.723 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 -6.691 -7.098 -14.703 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 -1.007 0.211 0.473 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 6.503 -2.993 4.174 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 7.114 -2.360 -0.155 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 4.616 0.923 4.131 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 23.648 0.294 20.557 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 11.158 2.089 8.618 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 4.186 3.877 -0.773 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 14.915 -18.300 -26.156 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 6.092 1.641 -2.416 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 -1.767 -5.108 -1.963 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 7.839 -7.090 -3.567 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 9.400 30.384 23.157 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 2.216 1.422 -1.925 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 -7.181 -0.526 9.709 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 -5.622 -2.699 9.120 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 -1.201 6.809 -1.562 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 9.352 5.499 -15.404 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 -0.332 7.739 -4.771 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 2.878 2.562 5.492 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 -6.390 4.849 14.782 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 -2.948 4.409 -0.463 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 -1.754 -1.137 5.669 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 -6.381 20.263 -13.807 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 -5.819 5.966 12.664 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 1.622 1.035 0.113 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 5.832 -3.438 2.709 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 15.230 -18.911 -13.976 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 0.403 4.190 -6.879 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 -0.282 2.786 -12.046 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 1.278 3.561 -5.088 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 1.060 0.953 0.720 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 5.541 1.534 -2.768 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 -0.959 1.193 -5.424 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 4.098 6.473 1.619 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 -2.321 19.971 3.602 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 -11.124 -9.074 1.892 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 2.076 -0.838 -0.241 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 4.353 0.134 2.561 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 -9.321 -0.475 14.758 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 2.153 4.095 -1.277 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 4.591 16.093 -0.867 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 3.010 -29.340 18.653 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 -2.049 -5.803 -0.928 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 -6.051 2.476 -6.428 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 -1.684 -6.870 -0.027 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 0.632 -2.737 -3.142 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 9.871 1.278 16.405 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 -22.574 -4.213 -8.432 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 2.900 3.504 3.703 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 14.734 -19.673 15.246 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 5.132 -3.417 5.963 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 4.825 0.937 5.560 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 12.133 0.535 -5.057 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 12.536 9.234 -2.179 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 -0.409 -2.917 -5.204 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 5.659 -0.693 -16.874 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 0.698 -3.065 -6.442 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 5.194 -5.011 -2.771 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 4.000 3.539 -13.276 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 8.049 -19.565 -21.359 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 4.266 0.897 0.051 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 15.394 -0.205 6.130 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 8.481 16.050 -10.441 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 -5.031 -8.519 2.954 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 -0.416 -3.984 9.657 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 9.715 -6.184 3.091 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 -5.541 6.993 -4.963 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 16.117 18.553 -6.913 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 -21.906 -5.051 1.193 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 1.123 -5.214 9.614 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 -1.107 0.670 2.219 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 12.880 -20.319 20.137 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 -7.950 -5.682 2.307 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 10.473 -15.469 -2.914 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 3.209 10.073 7.937 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 -3.011 3.993 4.924 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 10.537 9.843 17.515 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 5.596 -7.514 -0.594 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 7.961 3.576 -1.267 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 11.096 7.198 -3.836 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 5.190 6.712 -17.884 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 -4.421 -2.715 2.360 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 -1.627 -7.503 -8.008 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 1.139 -17.189 8.626 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 -1.689 -3.703 -1.430 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 -3.528 -11.173 -2.757 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 0.015 27.521 -5.734 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 -5.593 2.572 1.347 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 -20.168 19.085 -14.022 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 14.116 -17.167 13.354 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 1.336 5.294 1.625 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 4.021 -9.279 -2.729 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 31.894 21.234 -2.094 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 -4.076 -5.666 2.034 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 -27.200 15.056 -5.673 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 -7.456 -3.170 13.990 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 -3.060 -2.099 4.139 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 5.577 1.933 14.161 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 -10.343 15.014 2.407 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 -3.336 1.195 5.044 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 16.834 -5.643 -20.913 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 16.545 16.100 15.414 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 -2.694 -5.411 -1.293 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 -10.293 0.706 -9.475 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 -2.865 -0.881 -3.603 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 -3.223 4.738 4.615 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 -1.510 8.013 6.714 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 -1.302 5.225 4.705 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 -3.824 -2.586 -3.084 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 4.486 -16.908 -2.086 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 14.289 5.173 -4.093 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 0.780 0.191 7.027 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 -1.434 -7.702 6.400 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 0.119 2.145 -0.216 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 -1.045 2.709 1.885 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 1.074 3.960 7.233 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 -3.711 8.715 0.962 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 2.596 2.324 3.134 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 3.949 2.176 -3.108 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 22.707 10.146 -22.697 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 2.551 -7.115 3.494 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 3.707 -0.202 1.056 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 3.783 -8.966 6.981 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 -0.174 5.916 2.628 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 1.729 0.305 3.551 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 9.361 -2.824 -13.929 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 -4.614 2.738 -1.167 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 -1.635 5.379 -4.087 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 0.540 9.278 -7.927 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 6.327 1.821 -0.701 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 3.059 -7.866 -11.765 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 18.627 2.527 -1.543 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 -0.864 5.619 3.551 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 -1.089 12.594 5.588 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 1.564 -2.028 -1.123 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 1.424 1.742 2.161 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 0.116 -3.687 13.050 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 12.709 -1.513 -8.816 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 2.651 3.861 1.534 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 -2.287 2.600 9.527 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 -7.678 -1.666 4.730 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 0.584 -0.025 -0.695 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 2.509 9.700 27.486 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 -17.205 -1.966 16.329 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 -2.378 1.238 -0.431 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 4.284 -0.820 -1.165 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 -4.602 -9.464 -10.952 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 3.291 3.688 5.173 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 -5.317 19.558 5.357 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 -0.384 -3.465 -14.297 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 -6.100 1.061 1.173 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 6.086 -4.690 5.848 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 -7.810 -9.328 -6.615 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 4.113 6.389 -0.021 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 20.065 0.342 29.578 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 24.028 -8.592 6.558 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 -1.087 -1.257 1.178 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 7.653 14.092 10.208 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 -15.406 6.332 15.237 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 -3.060 1.829 -5.307 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 2.457 -0.000 -5.764 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 -3.128 6.989 3.184 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 -5.968 2.009 0.455 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 -2.433 -9.995 1.600 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 -13.382 -1.003 -12.334 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 -7.046 4.226 4.057 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 -1.744 -2.316 -13.959 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 13.413 4.352 8.865 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 2.011 -2.503 0.106 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 -19.003 1.250 -14.819 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 -10.570 4.814 -13.025 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 2.387 -5.118 0.268 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 -3.808 3.679 -2.275 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 -9.504 13.094 2.133 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 -0.555 -2.097 4.199 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 -3.993 -0.638 3.657 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 -6.714 4.161 0.908 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 -0.749 2.123 -1.999 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 -2.373 -13.231 -2.542 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 -13.919 10.453 -8.511 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 0.370 2.081 3.081 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 -4.551 -4.565 -15.510 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 1.091 28.424 0.010 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 -1.502 -3.909 2.709 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 12.542 -8.059 16.705 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 1.999 2.446 -8.051 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 5.363 -7.623 3.927 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 4.216 11.803 1.766 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 21.528 -15.902 -1.001 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 1.756 4.376 -0.275 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 -5.364 5.662 -15.952 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 -12.746 0.524 5.950 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 -0.719 5.400 -3.148 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 16.903 0.910 -14.063 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 -16.053 -3.434 -0.854 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 -8.452 -1.260 -2.121 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 18.956 -6.351 -21.090 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 -22.227 1.000 9.385 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 -1.807 2.852 1.192 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 2.465 2.774 -5.183 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 5.878 5.163 -14.250 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 -0.605 8.905 7.447 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 25.854 1.980 -1.411 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 -7.229 -4.009 -14.834 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 -1.000 0.484 -2.073 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 -7.175 17.186 -19.282 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 4.535 1.895 -8.754 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 -0.247 -0.247 -0.175 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 23.349 -25.998 4.903 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 17.184 -15.862 -2.435 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 2.885 2.646 4.944 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 -16.191 2.327 -0.208 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 -10.563 -1.896 12.580 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 7.355 -3.576 -5.194 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 17.662 -2.790 -0.863 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 7.078 -8.867 7.873 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 2.887 5.162 -0.947 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 -12.382 27.101 -24.010 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 4.458 -15.812 3.567 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 2.746 2.541 -2.332 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 0.032 -1.767 -4.447 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 0.803 -11.404 4.957 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 -1.387 1.701 1.036 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 -1.708 -10.305 2.955 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 -5.164 -15.549 -36.035 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 -4.387 0.488 4.326 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 -0.109 0.204 -3.231 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 29.050 5.905 -14.494 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 -2.107 -2.150 -0.059 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 0.295 -13.759 -17.015 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 -8.638 -11.898 9.101 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 -0.845 -3.479 -2.902 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 8.639 -8.063 -19.382 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 -5.368 -0.527 7.196 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 -4.277 -7.080 1.181 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 -10.628 -2.797 22.910 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 -24.117 -7.791 6.358 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 1.414 2.650 -3.642 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 -12.576 15.790 14.579 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 13.061 9.624 -5.430 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 3.731 2.610 0.744 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 10.388 17.621 -3.256 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 -8.085 -25.041 1.429 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 0.479 -2.671 1.356 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 29.490 15.973 2.914 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 5.743 -0.084 8.136 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 -2.305 -5.118 -5.572 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 -1.727 -2.120 7.270 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 8.823 -5.332 -18.264 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 -1.720 -0.552 5.576 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 -4.139 1.836 26.459 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 -15.120 5.986 18.286 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 -3.180 -0.540 -6.615 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 4.103 9.034 12.924 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 -30.939 13.106 -14.065 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 -1.165 -2.756 -1.638 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 1.145 -6.832 -7.269 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 1.357 1.440 -5.700 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 0.799 3.152 2.175 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 7.272 2.313 11.450 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 22.196 -10.009 -9.854 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 -4.629 4.300 -2.963 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 -2.932 -17.620 11.447 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 -0.994 9.282 -10.669 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 -3.598 3.809 -4.024 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 -9.624 0.919 -6.470 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 -8.719 13.207 -7.784 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 1.397 2.591 0.252 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 4.106 15.368 -10.963 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 8.465 4.234 10.112 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 0.168 4.810 4.065 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 7.181 4.622 5.964 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 -3.606 -0.737 0.011 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 3.439 3.214 0.506 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 -10.642 0.033 -0.929 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 -5.866 6.305 -5.992 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 1.060 -4.095 -0.618 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 4.073 9.487 4.241 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 -5.726 -18.575 -8.191 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 -7.527 2.967 2.729 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 5.811 9.502 10.783 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 -4.605 8.581 13.298 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 5.253 -0.262 -4.550 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 11.408 6.346 -2.452 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 -20.437 0.300 9.427 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 3.589 4.741 -2.586 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 -7.611 -5.783 5.681 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 0.794 21.590 24.288 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 -2.194 8.482 1.881 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 -12.874 9.410 3.565 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 -0.490 -1.409 -2.386 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 -1.989 3.463 1.545 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 -17.816 7.545 4.710 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 7.315 -22.821 -6.564 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 -0.921 -0.501 -1.542 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 0.315 -8.421 -11.625 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 13.512 -8.628 -14.191 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 3.047 1.127 -2.403 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 1.549 23.964 0.222 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 0.639 27.316 0.551 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 2.885 11.263 -3.695 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 7.760 12.337 -1.325 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 -1.540 10.266 -3.784 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 -5.827 2.249 -1.947 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 -8.491 -13.465 1.009 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 10.419 4.841 3.721 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 4.765 -0.078 5.966 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 -12.735 -10.505 3.730 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 6.148 -1.147 11.061 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 -0.825 4.751 0.119 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 3.355 6.868 3.138 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 -4.018 -15.179 -0.807 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 5.532 2.653 -2.537 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 2.969 19.026 -7.928 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 12.600 -31.732 -2.019 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 0.571 0.604 -2.804 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 -11.617 0.660 -8.251 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 19.888 -14.247 -17.042 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 2.602 0.807 2.459 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 14.166 4.728 -6.330 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 4.060 18.237 0.779 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 -3.679 -7.552 7.641 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 20.983 8.238 16.080 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 15.441 5.154 10.416 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 2.220 -2.251 4.208 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 15.435 20.998 -2.151 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 -11.637 14.765 -0.275 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 -0.087 4.970 -0.757 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 1.783 -3.149 -1.976 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 1.274 4.479 0.505 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 5.333 1.869 -4.486 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 2.642 -15.598 3.255 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 -0.351 -11.241 7.193 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 3.050 -2.746 -2.414 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 1.526 -7.766 -7.969 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 0.541 3.903 -3.679 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 0.365 -6.622 -0.213 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 1.304 -9.686 -3.266 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 -1.019 -7.592 -2.904 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 -3.542 -2.805 1.863 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 -16.276 -3.028 -8.286 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 -15.391 -4.981 -5.302 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 1.122 -0.825 1.708 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 0.309 -3.502 2.563 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 -9.091 21.086 4.112 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 -2.356 -2.456 -4.464 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 -14.217 -2.654 -8.465 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 -33.995 1.061 -10.523 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 4.041 1.394 4.617 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 10.487 2.574 4.325 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 10.407 10.037 3.424 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 -11.040 -0.675 -1.484 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 -6.232 -17.571 0.515 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 -34.919 -0.184 2.633 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 -1.866 6.438 -4.041 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 -1.419 6.524 -12.871 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 15.702 4.800 3.822 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 0.538 -1.335 0.954 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 4.319 -10.406 6.435 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 8.997 -7.808 3.346 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 -5.543 3.098 0.203 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 12.217 -3.505 2.891 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 -1.327 6.349 11.485 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 3.477 -2.303 -1.369 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 3.057 -10.213 -6.243 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 4.516 1.015 -0.902 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 -3.167 1.156 -0.750 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 -9.977 -1.289 -6.123 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 -6.156 12.676 -1.269 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 6.384 -0.265 3.665 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 7.344 9.748 -5.184 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 1.169 -3.771 -3.895 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 -0.322 0.399 2.203 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 -1.810 2.625 21.479 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 -4.584 17.222 -3.689 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 1.460 -1.060 9.180 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 -1.392 -3.681 -10.792 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 6.124 -5.351 -4.790 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 -0.406 13.759 -7.849 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 -4.653 14.399 -8.514 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 -0.775 -6.175 -15.681 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 -3.265 1.403 2.747 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 6.410 -8.283 -5.653 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 -12.005 -19.509 2.187 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 0.285 -3.815 -4.686 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 1.694 -10.321 2.174 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 6.738 -8.831 7.359 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 -1.063 3.854 -3.245 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 8.599 -1.513 23.781 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 15.394 -14.203 -5.185 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 3.101 0.981 -2.745 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 17.281 1.727 11.719 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 12.869 1.050 7.990 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 -2.441 0.352 8.486 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 5.048 0.515 11.001 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 0.232 8.503 1.517 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 1.551 0.346 3.370 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 8.638 -3.791 12.912 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 -0.111 17.202 -9.796 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 -1.576 1.062 -2.669 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 8.703 29.237 12.592 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 -2.272 -25.911 10.697 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 -2.793 -0.040 -3.488 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 -11.349 29.932 16.648 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 31.618 -11.606 12.061 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 0.238 5.498 5.519 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 -18.740 8.071 12.309 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 13.820 -8.083 -7.619 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 6.664 0.346 4.377 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 -0.586 -1.249 0.505 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 -12.182 0.865 -1.187 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 2.681 -3.220 0.599 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 4.754 -0.736 0.901 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 1.063 31.446 -9.999 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 0.832 0.115 -6.782 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 8.218 1.872 5.927 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 -23.684 -11.009 0.197 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 0.155 -7.132 4.301 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 21.695 28.407 15.459 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 -6.201 -14.904 3.731 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 -0.968 -0.252 3.629 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 -6.221 -1.452 -6.467 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 -1.642 -7.887 6.293 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 1.337 -4.889 1.221 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 1.888 -23.719 -8.442 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 -1.684 -11.932 18.633 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 -6.313 -4.672 4.782 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 2.683 -23.154 -0.794 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 -3.332 -18.338 -0.163 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 0.367 0.777 -6.817 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 24.414 -10.664 28.337 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 0.960 -1.818 2.739 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 4.561 -9.127 0.698 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 12.572 -3.855 4.026 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 1.545 3.341 7.618 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 -0.417 2.071 -1.578 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 16.649 -22.642 -19.863 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 -13.922 9.464 15.700 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 -1.360 -3.600 9.287 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 5.957 12.202 -2.750 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 8.748 -4.134 14.115 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 0.621 -3.933 2.786 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 6.258 -4.797 -1.673 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 -2.475 -5.817 5.090 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 3.303 -5.874 2.495 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 28.148 -8.884 -12.275 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 12.407 -8.646 -3.131 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 4.910 2.837 2.299 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 1.712 -5.630 -15.070 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 8.221 -6.355 5.681 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 9.090 0.816 -3.478 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 -13.690 -0.098 -32.322 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 -25.191 -31.486 6.200 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 1.938 7.994 -0.888 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 -13.280 1.052 -1.212 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 4.120 10.009 3.495 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 -0.134 0.170 2.833 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 9.878 -10.834 6.911 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 3.755 -5.488 -0.675 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 1.853 -4.810 1.494 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 13.453 -5.685 4.540 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 8.034 -5.797 3.116 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 0.080 3.655 -0.646 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 -2.323 10.664 1.941 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 -1.426 8.779 -1.993 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 -0.719 -2.735 1.377 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 -5.497 -9.874 2.699 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 -2.201 0.029 -0.860 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 -1.223 -2.392 -6.714 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 -2.487 -3.952 -4.423 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 -7.770 -28.226 19.418 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 -0.458 -1.631 -4.204 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 14.109 -17.052 5.345 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 -14.495 -1.469 11.701 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 7.530 -3.302 2.054 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 -25.100 2.328 -17.562 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 -5.603 -19.821 -17.048 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 -0.447 1.627 6.149 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 2.471 1.589 -10.069 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 4.061 7.120 -4.108 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 1.253 -1.949 5.994 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 0.883 8.197 -0.581 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 -4.654 -7.073 9.635 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 8.177 -4.108 -2.834 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 20.540 -9.364 -3.338 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 17.570 -8.765 4.894 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 -2.337 -1.104 5.720 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 -13.216 -6.442 1.617 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 -4.565 -6.743 11.601 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 6.524 3.218 2.300 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 -0.099 -17.662 -16.138 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 14.137 7.059 1.651 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 4.707 -2.237 0.283 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 10.129 -1.540 3.679 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 14.375 -0.073 0.213 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 -4.779 3.021 4.815 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 26.270 -9.260 -1.327 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 6.164 -8.465 -3.144 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 -0.255 2.374 3.184 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 -2.972 -5.398 6.449 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 1.443 -4.050 -7.600 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 -3.633 2.364 1.919 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 -3.681 -6.512 -25.002 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 -9.125 6.860 -1.725 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 -2.171 -1.070 -6.829 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 -13.492 -9.695 8.940 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 13.701 -5.760 -6.542 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 3.203 5.121 -1.005 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 -0.727 10.787 17.899 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 16.547 5.072 1.933 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 -2.350 1.340 2.781 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 -4.165 7.031 7.142 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 -1.402 5.723 -7.212 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 4.522 -2.231 -3.011 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 7.606 -6.587 7.830 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 -2.830 7.836 -0.884 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 0.817 5.496 -6.666 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 -6.195 -34.372 4.438 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 5.533 15.814 2.135 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 -10.548 -1.479 -1.980 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 5.719 4.212 -6.077 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 -20.872 -2.288 -14.413 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 1.659 1.385 6.288 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 4.740 -1.853 3.682 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 -8.663 -8.355 15.638 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 -0.261 0.491 1.505 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 2.399 8.549 -5.819 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 -3.808 -1.771 -1.879 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 -3.617 -4.427 -0.715 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 -20.210 -1.786 -15.789 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 3.044 1.216 -9.260 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 -0.955 -0.138 -3.756 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 6.661 -27.108 -1.092 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 -21.646 -0.171 -20.842 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 1.189 -2.988 -7.521 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 -12.292 -14.055 13.149 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 -4.319 -17.364 -26.092 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 -0.066 2.457 3.209 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 -5.592 2.201 8.959 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 -9.840 13.637 -0.189 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 4.169 -5.448 2.938 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 -9.431 -17.000 0.520 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 2.684 -12.707 23.318 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 -3.367 0.450 2.297 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 -21.698 6.988 -7.549 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 16.320 12.417 3.465 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 -1.411 5.364 1.584 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 -7.247 5.725 11.677 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 -4.469 7.054 8.046 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 -7.757 -3.380 1.988 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 13.074 -22.782 3.868 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 -13.790 -2.110 -26.418 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 -1.023 4.249 -3.811 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 -10.145 9.555 -9.793 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 -0.642 10.257 7.497 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 0.624 -0.854 -3.580 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 14.722 -2.880 -3.870 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 -14.844 0.027 -9.384 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 2.873 1.710 1.964 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 -5.771 10.675 -2.996 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 8.656 -2.948 6.735 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 1.214 6.003 3.997 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 5.358 3.952 -0.333 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 -3.289 0.573 21.145 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 -5.988 -0.039 -0.193 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 -2.369 -6.352 -10.325 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 -5.120 -17.998 -24.332 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 -9.388 -9.723 1.147 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 -7.934 -3.484 -3.888 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 15.142 -6.041 29.608 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 3.889 -6.081 -1.819 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 8.345 -8.726 -17.093 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 7.467 -10.879 -11.897 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 4.830 7.816 -0.139 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 -4.622 -3.963 6.554 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 18.675 -15.726 2.267 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 -2.012 2.320 -4.227 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 10.999 3.096 -10.306 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 17.460 -6.731 -17.906 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 -0.245 -1.735 0.546 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 -1.854 -0.696 10.944 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 -9.534 -10.664 -4.110 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 4.545 5.416 -0.542 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 6.614 19.632 5.282 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 15.906 13.473 -24.440 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 5.386 1.406 -12.135 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 19.866 -6.769 17.588 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 -1.127 3.216 -30.839 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 -3.303 0.181 2.616 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 17.354 -4.350 -13.796 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 10.038 -2.407 -1.420 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 0.750 6.667 3.632 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 -18.587 -3.701 9.244 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 -8.560 1.910 -25.139 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 3.681 6.414 -2.073 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 14.153 11.191 -3.422 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 5.505 -3.569 4.100 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 -4.005 0.976 6.809 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 -2.941 -0.015 41.382 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 -4.288 1.092 -5.970 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 -2.327 3.426 -3.946 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 -10.322 1.395 -0.515 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 2.074 14.008 -12.777 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 6.356 -2.210 0.282 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 22.261 -13.254 -2.491 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 6.273 -1.832 -0.037 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 5.745 -5.053 -3.779 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 -5.846 -13.627 -6.821 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 -26.729 14.160 -3.050 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 1.308 1.739 2.598 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 -17.110 4.591 18.618 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 6.911 -6.026 2.813 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 -1.889 -3.829 0.987 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 16.150 8.449 -10.344 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 -18.531 7.606 13.997 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 2.272 -3.303 3.086 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 3.267 20.042 6.901 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 24.365 12.166 -8.978 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 2.700 3.952 3.054 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 2.444 0.883 -11.444 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 4.202 -0.210 6.036 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 -4.923 1.243 0.651 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 16.215 4.489 -2.219 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 6.647 3.431 6.823 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 1.445 7.415 -0.793 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 13.312 40.255 1.894 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 30.959 -7.629 -21.009 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 -3.883 1.628 1.307 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 2.896 -6.951 10.456 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 3.280 -3.362 -8.637 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 -3.444 5.698 2.376 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 -7.586 11.630 12.811 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 -6.133 6.858 8.939 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 4.103 4.052 -2.668 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 6.126 5.449 -6.633 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 0.499 2.613 4.224 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 -4.545 3.662 0.588 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 7.932 -0.519 29.415 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 -10.059 -6.652 -0.022 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 -1.600 -1.016 1.813 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 2.630 -1.023 11.581 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 5.544 -2.473 11.880 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 2.390 2.940 2.169 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 2.758 -12.907 6.905 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 4.644 25.913 5.154 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 1.988 3.981 -2.214 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 -4.044 5.118 -8.643 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 -1.370 -3.074 1.800 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 2.922 1.768 -1.755 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 36.991 -8.912 -22.025 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 19.501 13.733 -0.214 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 2.771 -5.406 2.954 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 -3.128 19.334 -8.983 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 20.363 -15.403 -13.155 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 7.696 -0.314 5.356 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 11.344 -20.587 9.275 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 -0.408 -26.739 7.852 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 5.648 -3.600 -0.432 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 5.632 -11.382 4.983 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 9.902 2.857 -6.276 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 -1.414 -2.911 -5.237 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 11.425 14.529 -4.707 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 -4.980 -15.389 4.192 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 1.497 1.236 -5.255 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 16.023 -1.865 -6.615 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 -19.433 4.159 -2.323 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 -4.403 -8.063 1.170 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 -15.427 12.152 0.653 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 -11.631 17.118 10.320 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 -4.795 -1.961 -0.556 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 7.862 7.377 -7.360 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 -2.144 -11.931 -13.612 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 -2.927 -2.383 1.741 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 6.623 -3.259 10.111 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 4.696 6.070 22.632 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 -2.388 4.600 0.313 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 -6.894 -9.362 16.816 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 -5.141 3.555 4.827 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 -4.316 0.766 1.931 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 28.973 10.028 1.698 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 -2.345 7.350 14.186 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 -2.486 2.505 0.920 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 -9.771 4.896 0.410 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 2.247 9.366 3.626 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 3.192 0.625 4.093 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 2.144 -2.038 29.017 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 0.658 1.194 28.265 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 -1.878 1.274 -3.299 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 -6.697 23.193 14.694 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 2.734 -20.696 13.101 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 1.219 -3.874 -1.428 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 -4.830 -10.010 -6.258 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 8.953 -9.092 -0.069 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 3.665 -2.662 -3.578 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 -18.480 -6.688 -6.313 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 6.343 18.838 -8.978 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 -0.821 -1.897 7.269 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 5.482 -1.885 -2.500 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 -3.716 -2.467 3.533 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 2.813 -6.671 1.872 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 -7.074 0.016 -1.579 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 -18.948 -7.121 5.760 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 2.888 1.736 2.045 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 13.261 -0.721 18.172 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 6.987 -4.551 27.543 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 4.656 -9.086 -1.256 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 7.501 -3.634 7.676 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 4.201 -24.471 11.628 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 -3.897 6.117 -1.979 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 4.928 -3.048 -16.343 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 11.135 -8.963 6.795 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 -2.009 7.455 4.655 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 -17.862 -1.385 19.535 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 -12.562 0.524 -16.486 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 -1.158 -5.284 3.126 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 -4.868 6.758 11.378 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 4.021 -10.284 -3.947 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 -0.357 0.240 -0.043 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 -0.390 -2.765 -5.553 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 -4.307 -3.565 3.124 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 1.249 2.207 3.801 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 -1.868 10.833 6.929 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 0.138 -2.590 7.119 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 -1.808 0.248 -5.666 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 21.127 -10.151 -11.126 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 -31.930 30.999 5.848 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 2.754 -2.659 7.100 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 18.364 -19.294 9.284 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 12.229 -1.507 11.808 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 1.514 -6.587 0.688 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 18.731 -13.738 -7.992 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 -12.335 8.343 2.075 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 -0.638 -3.522 -4.439 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 -0.551 -13.387 -1.225 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 -8.204 -2.860 12.562 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 -3.495 -0.684 -1.921 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 0.942 6.191 -8.099 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 -2.352 -9.197 3.021 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 -5.737 2.752 -2.628 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 -8.925 7.513 18.463 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 -6.702 -9.787 -9.449 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 -0.729 1.276 -3.368 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 7.864 -6.150 -2.164 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 27.244 -5.011 -15.795 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 4.587 7.251 -1.631 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 17.627 14.338 21.792 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 10.288 10.524 2.825 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 -2.685 3.204 -1.278 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 3.281 -26.379 -11.163 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 -23.349 25.273 -21.629 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 3.603 -2.912 -2.961 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 5.581 -1.421 -7.453 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 -1.018 -0.707 -3.806 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 -2.789 -4.218 -1.476 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 3.274 -11.309 -2.957 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 4.058 -19.535 -4.948 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 -3.989 -4.451 -0.780 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 -0.218 -2.725 -4.175 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 1.244 -6.892 6.712 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 -2.513 4.721 -0.922 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 -8.653 -3.651 3.754 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 7.119 4.249 5.024 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 -0.954 3.831 -0.569 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 5.551 9.069 -1.569 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 1.683 -2.370 -8.814 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 -2.890 1.628 -4.623 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 0.365 0.841 -5.581 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 -12.012 13.425 -7.089 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 -6.056 -4.312 -1.109 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 -7.998 -6.979 -7.684 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 4.110 -3.454 10.325 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 -7.104 2.482 1.141 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 -9.236 -0.685 -9.060 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 -0.908 -5.084 2.633 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 1.460 -0.280 -0.260 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 -16.570 9.133 17.656 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 -4.444 0.979 0.481 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 6.458 -4.568 -7.464 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 -11.101 16.207 -19.231 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 -17.198 4.979 7.079 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 2.563 -0.003 1.743 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 13.029 -14.091 4.848 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 -18.569 10.708 -7.302 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 -4.564 1.384 1.461 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 8.748 19.610 2.618 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 -5.585 2.161 0.448 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 0.086 -1.756 -0.701 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 -0.485 0.558 -0.775 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 -19.339 -18.056 -26.706 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 -1.694 7.960 -3.253 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 -0.187 5.763 -6.948 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 0.413 5.815 2.367 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 -5.289 -9.249 -2.634 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 -29.101 -15.362 5.798 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 -6.042 -9.446 -0.615 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 1.930 -3.077 -0.801 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 -0.400 15.189 -19.682 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 5.960 -15.670 2.532 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 3.378 3.466 0.773 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 19.150 11.641 15.544 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 -14.767 8.858 -1.660 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 -5.336 5.648 0.564 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 -9.633 18.993 17.343 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 -4.699 3.473 4.079 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 3.463 -0.989 0.838 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 -24.233 -15.315 -7.368 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 2.177 -2.874 26.836 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 -3.165 -3.416 -2.369 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 -2.616 -5.278 -3.395 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 5.792 -29.487 -22.601 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 3.753 -1.513 -2.142 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 5.731 -6.319 -17.236 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 22.349 -7.191 26.989 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 -4.343 2.491 -0.564 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 5.622 -6.345 -2.707 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 3.316 4.188 -3.158 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 -3.153 9.773 -1.867 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 -0.867 11.763 -9.696 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 3.273 12.446 4.213 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 -1.167 1.490 -0.514 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 4.776 -0.213 -16.294 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 4.976 13.205 -1.280 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 1.912 7.144 -1.430 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 16.294 15.524 -15.259 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 2.104 -15.591 -0.283 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 6.875 -3.135 -1.228 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 -5.562 -17.922 -4.026 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 -12.941 -7.468 19.722 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 8.217 0.039 2.608 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 -19.297 -8.652 2.157 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 18.991 17.176 -6.176 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 -4.371 -0.162 0.583 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 11.406 -4.936 -16.649 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 -2.666 -11.987 5.320 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 10.867 0.320 -6.431 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 13.417 0.540 -6.299 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 -15.234 -6.190 -12.596 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 5.495 1.487 -13.583 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 3.253 7.450 -6.338 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -6.384 -12.138 -19.545 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 3.409 0.296 2.473 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 17.249 -10.686 -9.005 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 -4.242 -11.014 -19.358 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 -5.554 -6.325 -9.581 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 4.631 5.433 -7.726 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 -20.838 21.549 -7.518 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 6.931 4.253 4.744 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 8.995 -2.711 0.193 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 4.517 11.594 9.080 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 -7.699 2.910 2.228 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 -16.303 13.634 -8.968 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 8.077 14.520 -2.434 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 4.425 4.494 -1.486 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 2.327 9.086 -14.006 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 4.216 3.527 1.363 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 -8.196 -2.162 -0.734 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 10.684 -22.065 13.016 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 -6.820 4.237 10.923 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 2.022 -0.694 0.319 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 1.662 -17.689 -5.616 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 6.123 -7.998 3.130 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 3.475 -2.230 -3.257 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 -4.497 -7.879 -35.321 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 6.423 12.941 12.575 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 9.362 -0.328 0.133 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 5.392 0.931 -2.685 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 15.550 2.635 1.799 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 -1.222 0.328 2.696 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 -2.449 -13.657 -4.784 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 28.442 5.701 10.326 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 -0.002 -0.830 -5.308 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 -13.015 -21.321 -4.511 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 10.105 -1.914 -25.464 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 -0.850 -1.919 1.324 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 -0.333 -2.860 -4.713 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -6.184 11.081 3.927 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 -4.426 3.663 -6.610 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 -28.998 3.997 -2.940 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 -11.495 6.543 4.209 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 2.450 -3.095 -3.488 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 1.648 -2.229 -2.631 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 -1.089 -0.345 -9.684 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 -0.978 4.687 -4.509 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 14.897 4.354 -2.763 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 -0.423 -20.633 5.545 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 3.207 0.310 -2.455 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 9.567 15.741 -9.985 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 -5.176 -8.341 7.243 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 2.531 -1.222 0.505 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 14.114 -14.606 1.516 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 14.627 -13.225 1.150 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 -1.792 4.333 -0.888 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 27.757 -0.676 7.849 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 -10.991 -4.627 -22.094 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 -3.435 0.583 -1.382 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 1.920 8.361 -24.054 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 -5.218 -2.884 9.158 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 -3.325 0.458 -6.255 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 0.644 2.408 -5.551 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 9.238 -28.212 9.273 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 1.836 4.913 6.297 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 18.617 -17.614 1.124 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 -7.543 -21.007 -5.894 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 -2.620 -3.913 5.699 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 16.281 0.198 -13.706 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 -4.512 -26.710 1.120 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 2.036 2.373 0.234 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 9.332 -1.786 26.919 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -14.812 -6.560 -2.083 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 -11.644 -3.131 1.670 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 -28.170 13.579 19.573 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 -4.882 -28.649 7.747 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 5.536 0.277 -0.253 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 6.585 9.316 -20.615 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 4.015 -3.016 12.589 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 -4.318 -6.897 -0.057 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 0.199 -7.937 1.095 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 -15.140 -0.415 -7.972 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 0.151 -0.547 -1.894 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 2.092 -6.900 -20.659 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 9.176 -4.616 -13.148 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 2.479 4.153 -1.438 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 4.881 -7.302 0.648 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 1.059 2.259 -4.143 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 -2.189 -0.650 -0.742 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 -0.855 -11.488 7.934 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 -13.840 3.244 -11.723 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 3.514 -2.432 -0.192 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 2.009 7.370 8.223 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 3.752 20.147 27.178 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 1.187 -3.752 -1.427 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 -18.882 -9.197 -1.974 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 11.424 -1.764 2.897 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 8.583 3.991 7.303 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 23.448 10.981 -1.543 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 4.112 -7.312 8.868 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 -6.969 -1.858 2.388 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 0.210 -19.651 14.539 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 -10.891 10.321 8.725 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 -2.499 -2.948 -2.539 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 11.377 -6.568 -6.787 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 -7.025 3.501 -1.519 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 3.513 -0.711 -6.099 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 -7.913 -25.064 -28.424 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 -16.476 36.776 3.422 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 3.655 1.243 10.652 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 0.650 1.436 17.839 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 12.456 -15.831 -0.870 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 -0.435 -2.303 -2.425 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 -2.656 -4.101 0.480 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 1.848 3.808 -5.975 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 1.778 8.544 -1.200 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 0.603 -0.706 10.593 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 -0.046 11.672 -4.592 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 -3.372 -0.331 -2.794 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 -4.445 0.225 -4.609 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 -0.279 -3.231 -3.601 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 4.072 -3.356 0.025 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 -4.373 -4.095 33.796 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 6.521 -0.976 26.218 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 -2.356 -2.545 -7.228 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 8.667 5.529 -6.266 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 12.141 1.386 -7.596 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 -1.973 3.193 1.878 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 -5.713 1.608 -1.295 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 -1.376 -0.212 1.023 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 2.119 -0.235 -0.063 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 -22.213 6.693 2.790 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 4.185 1.452 4.528 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 -1.292 -2.342 4.738 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 -2.893 -3.555 5.476 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 11.550 31.848 16.384 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 1.463 4.493 -4.233 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 6.168 4.942 6.707 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 -2.759 -4.451 25.162 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 -8.779 2.635 -7.314 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 -17.699 9.431 7.617 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 3.983 -14.950 -5.029 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 -0.165 -0.661 1.081 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 22.060 14.413 -5.520 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 17.823 7.115 3.332 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 4.359 -0.412 2.874 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 -10.502 -22.804 -15.626 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 27.287 6.459 -1.787 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 0.480 10.141 -3.197 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 -0.191 10.046 -5.306 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 12.996 14.018 -4.931 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 -1.974 -2.593 -4.110 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 8.215 -9.290 -13.535 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 -19.107 32.451 2.646 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 0.398 3.403 -2.365 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 2.377 -3.082 -2.308 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 -11.998 -8.070 2.006 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 -1.239 -3.221 -3.837 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 -59.680 -3.733 -9.781 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 5.869 -1.790 -2.901 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 5.087 0.631 0.616 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 -0.285 14.855 2.652 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 11.035 -5.855 14.554 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 -0.511 2.044 -5.271 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 -2.699 9.451 -5.180 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 -7.759 6.664 2.240 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 -0.206 -1.484 -0.775 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 19.688 -15.273 6.262 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 -5.071 -5.336 -26.381 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 4.968 -9.665 0.541 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 2.188 -24.166 10.089 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 9.921 9.127 -9.658 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 -4.874 -2.930 3.634 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 23.670 -7.270 12.832 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 10.728 -21.360 10.176 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 0.522 4.014 -2.217 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 18.533 24.734 -17.907 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 -9.204 -23.927 -19.558 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 -3.311 -0.260 -7.766 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 7.361 -2.305 7.641 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 -20.815 -7.387 -4.006 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 -4.509 -6.696 -4.823 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 -4.549 -11.232 1.275 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 2.324 3.400 -0.693 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 4.359 3.603 1.695 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 -4.362 -6.506 6.761 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 -8.173 15.941 -12.212 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 -1.287 -1.856 5.897 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 14.409 -0.015 19.515 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 -1.115 9.514 27.587 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 -6.861 -2.200 0.454 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 -2.688 1.258 4.154 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 -0.923 -3.392 4.145 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 1.252 1.751 6.718 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 8.495 2.356 -21.905 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 7.753 18.519 11.204 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 -1.930 -3.050 -6.025 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 -2.259 12.838 11.513 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 -0.993 2.324 0.197 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 -0.730 2.932 -5.509 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 12.146 3.589 3.606 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 -16.314 -1.851 -23.909 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 -0.788 -4.998 -2.947 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 10.060 -0.525 16.220 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 -5.842 -7.194 -11.832 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 2.893 -6.212 -1.647 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 -9.517 -10.791 -14.295 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 -24.928 24.750 12.054 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 1.415 4.125 8.845 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 -11.348 0.363 15.487 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 4.663 -15.947 18.558 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 -4.304 2.190 -3.159 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 -5.064 1.068 -7.040 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 -4.150 14.745 18.240 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 -0.554 0.744 1.664 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 3.233 1.736 7.602 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 -4.133 -1.454 -0.409 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 6.102 -1.254 -8.660 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 18.608 8.952 8.566 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 14.796 8.141 4.643 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 -0.970 -1.056 0.887 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 6.993 -8.413 4.717 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 2.612 1.451 -3.153 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 -1.821 -3.403 -6.060 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 -25.840 -4.774 -2.157 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 5.790 1.878 -3.098 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 -4.168 -1.291 -9.052 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 -4.689 -12.603 4.088 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 -1.772 -2.830 1.215 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 4.366 -3.303 -0.241 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 -2.328 -2.252 -11.264 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 20.958 -1.573 -6.834 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 -2.420 0.511 4.036 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 5.078 -17.465 6.390 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 0.764 -7.039 5.427 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 0.629 3.884 3.790 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 -6.116 -3.760 2.283 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 8.581 22.376 -7.889 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 -5.100 -5.651 -0.465 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 -5.868 -4.464 2.065 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 0.637 3.445 -17.813 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 -12.441 3.965 -3.652 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 -24.436 -5.502 19.755 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 -12.112 4.206 -3.438 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 1.986 0.959 6.204 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 -2.148 -1.279 7.039 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 1.601 5.606 6.145 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 -2.412 2.816 1.448 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 -22.871 -5.873 -9.788 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 -3.688 -0.814 -8.035 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 3.605 -0.986 -2.127 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 17.257 2.746 -2.603 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 -1.046 -2.901 16.177 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 -5.234 3.363 -0.798 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 -9.041 1.170 -3.641 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 4.520 1.662 5.311 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 -3.387 -2.530 -2.199 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 6.071 -6.697 -23.675 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 -8.407 3.739 24.237 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 1.240 3.539 -3.471 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 -12.583 13.943 -7.772 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 -4.527 -0.004 17.390 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 -2.985 3.056 4.357 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 -13.924 1.250 26.338 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 -2.901 2.894 4.459 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 -5.448 -3.214 3.189 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 -5.976 -7.856 -12.537 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 -7.011 -1.215 -0.294 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 -3.042 3.756 -2.342 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 -3.347 18.518 25.290 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 17.639 7.771 6.582 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 -4.649 5.578 -0.891 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 -3.251 2.825 -3.348 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 -6.277 4.459 0.253 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 -0.984 1.628 1.283 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 -0.932 0.669 1.688 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 -1.079 -10.661 3.330 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 3.956 6.473 -2.483 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 6.609 -13.629 -30.752 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 -1.472 -2.258 3.157 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 2.616 -1.742 8.480 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 1.889 -28.570 4.376 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 -5.193 -0.651 -4.282 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 -1.875 -8.092 -1.141 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 14.836 -9.033 -20.788 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 4.599 -11.814 0.793 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 6.909 3.992 1.585 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 4.603 4.006 1.978 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 -22.438 -26.231 13.187 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 1.040 -2.275 -0.909 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 -14.142 -0.673 30.029 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 -5.483 14.918 17.008 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 -0.111 2.698 -1.226 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 8.182 14.339 3.348 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 -8.202 -6.449 -10.608 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 4.245 -2.462 0.355 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 1.712 1.063 -11.590 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 -8.824 6.612 -15.035 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 5.704 -1.506 2.254 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 29.652 -6.771 8.445 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 -4.287 -10.845 -3.259 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 5.158 0.798 -0.212 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 -8.696 2.802 17.487 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 19.636 7.465 -10.855 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 3.947 0.361 6.456 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 8.167 -1.702 8.919 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 12.399 11.573 4.795 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 -3.795 -0.546 0.899 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 -10.210 14.848 -10.845 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 1.299 -8.001 4.890 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 5.331 -3.267 1.366 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 3.886 -0.375 0.627 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 4.348 -7.919 -1.650 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 0.484 2.351 4.997 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 21.026 -6.878 9.607 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 3.412 0.276 -2.932 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 3.525 7.960 1.397 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 1.209 -12.126 19.777 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 18.006 -5.605 0.390 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 -0.078 3.769 -2.256 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 -4.713 1.251 -1.613 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 1.373 2.075 -1.101 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 -4.385 3.756 -3.811 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 -5.579 -9.654 -21.678 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 -2.670 11.945 -4.867 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 -1.826 -1.299 2.426 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 -7.289 -16.937 -13.989 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 26.956 6.122 -13.312 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 0.792 3.476 3.130 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 -1.399 10.181 3.502 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 -3.621 16.586 4.001 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 -4.919 -0.051 1.038 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 -14.091 15.443 -4.401 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 8.035 -2.285 -12.063 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 2.761 -0.655 1.107 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 2.245 -5.210 5.592 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 -10.915 17.166 -17.923 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 -1.657 0.150 -0.691 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 15.672 -3.259 -5.526 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 -17.082 4.257 4.068 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 -5.786 -1.430 0.589 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 3.640 -3.335 -8.642 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 -1.528 -8.363 4.063 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 4.546 7.148 -1.445 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 17.372 11.526 2.873 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 -6.654 -6.372 2.289 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 2.354 -3.180 -7.716 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 21.833 10.324 -4.925 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 -7.576 -9.095 -10.272 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 -1.207 -0.080 1.699 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 -1.608 3.001 -4.492 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 2.861 -4.565 5.745 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 5.066 0.634 1.750 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 4.028 -0.001 6.187 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 -5.163 -2.186 -6.835 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 0.127 -4.417 2.154 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 -16.122 -8.110 11.552 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 -10.448 -5.467 1.857 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 4.147 5.657 4.514 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 -0.918 4.054 8.071 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 -6.953 2.870 11.710 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 8.353 2.476 2.058 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 21.175 -6.236 7.949 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 -13.413 -8.202 5.849 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 1.520 6.911 -5.409 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 -0.180 12.583 11.771 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 22.748 15.431 -10.943 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 1.227 -3.568 7.988 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 2.355 -4.765 1.924 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 0.366 -5.435 -4.981 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 3.857 -0.529 -0.455 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 8.285 18.030 -5.950 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 12.958 -3.426 5.481 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 -5.073 -4.441 -4.264 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 -2.660 10.490 -11.971 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 -23.372 -6.809 -13.294 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 -2.615 2.422 -0.190 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 1.843 6.921 1.672 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 -5.503 14.690 4.836 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 -4.534 0.821 -0.809 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 21.124 15.026 6.629 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 -8.955 -8.363 3.551 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 5.516 -0.024 1.336 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 -23.092 -9.787 -7.823 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 -2.461 4.145 -3.410 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 -4.626 -1.004 1.973 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 4.068 -1.328 6.990 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 -5.239 9.560 -2.410 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 -1.797 5.775 0.597 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 -3.549 -6.921 2.685 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 5.865 8.809 -3.059 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 0.049 -2.772 1.043 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 -7.683 -13.817 -5.531 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 -6.656 -1.258 -2.132 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 -1.654 -6.020 -1.359 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 -1.029 -10.746 4.342 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 -17.183 -6.261 -9.321 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 -3.284 2.652 -5.285 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 0.937 6.220 -8.838 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 -14.629 -8.081 5.464 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 2.417 -0.653 1.594 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 1.937 -8.565 10.160 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 2.335 -11.791 21.552 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 -0.088 0.804 7.038 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 14.813 -30.944 12.738 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 -30.700 -14.045 -10.148 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 -3.782 3.186 -2.811 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 5.372 -3.212 10.482 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 -10.842 -7.629 -9.498 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 -8.309 4.842 4.850 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 -23.402 9.108 19.522 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 0.540 7.523 -0.878 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 -8.169 -3.008 -5.110 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 -12.373 -10.414 -1.522 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 16.399 18.791 -14.753 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 -3.319 1.133 -4.644 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 -19.431 -12.877 -0.598 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 -11.259 6.811 -16.895 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 0.691 3.128 -1.391 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 18.478 -0.905 -27.885 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 3.283 -16.808 -6.919 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 -6.307 4.747 -2.137 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 -6.553 0.738 -1.527 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 3.868 -15.226 -18.701 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 -7.823 -3.669 -7.419 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 -23.124 12.579 -0.488 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 -14.441 5.427 -7.129 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 -2.453 2.035 0.418 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 -0.903 31.051 13.410 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 -5.983 0.744 0.695 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 9.655 -3.937 4.666 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 14.937 10.734 -6.110 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 18.209 1.144 -7.518 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 1.306 0.076 -5.891 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 17.586 -3.703 -4.280 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 -4.346 0.638 -5.498 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 1.695 -2.762 3.165 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 -25.943 -20.552 -1.875 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 -1.524 21.336 10.062 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 2.445 -4.075 -6.992 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 -0.423 -18.948 5.592 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 -32.168 -15.971 -0.710 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 1.846 -3.685 1.612 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 4.027 -4.838 4.173 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 -6.593 4.076 15.219 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 2.641 3.793 1.626 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 2.994 4.052 2.254 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 23.372 17.489 -1.165 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 -1.334 -4.775 2.805 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 -8.685 -13.249 12.979 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 1.646 -0.429 -7.547 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 1.062 -1.916 -3.380 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 2.469 -0.879 -2.528 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 4.886 -0.583 -4.107 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 -1.796 0.656 -2.463 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 -2.033 3.522 -9.553 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 -0.949 1.330 -2.825 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 0.901 -0.118 6.490 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 -13.028 -6.229 4.619 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 -14.283 -22.198 -10.219 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 -1.195 -5.098 -5.796 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 -6.100 -3.331 0.306 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 -3.059 4.011 -14.543 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 3.361 3.207 -4.671 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 13.131 -20.064 -6.157 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 0.749 7.904 -5.034 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 1.488 2.140 -1.633 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 1.575 0.822 2.344 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 1.825 -7.897 -5.191 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 -4.042 2.319 -3.154 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 12.726 6.980 6.890 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 -2.133 2.953 -2.788 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 -11.557 1.208 -4.003 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 -7.010 7.264 -16.875 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 -7.052 7.344 -16.971 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 -4.309 -3.390 1.186 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 7.107 8.543 8.305 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 11.050 -7.217 8.790 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 -9.307 3.198 -0.253 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 -14.442 4.693 18.591 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 11.522 -2.300 6.899 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 -0.729 3.496 -0.700 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 -5.346 -1.525 7.555 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 2.419 -3.880 -10.316 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 2.595 -2.632 4.084 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 -5.575 -4.163 4.766 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 -0.557 -5.023 5.278 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 -0.346 -3.144 -6.398 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 -14.328 -5.787 -5.285 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 -0.575 8.077 -12.081 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 2.098 -0.899 -5.708 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 4.223 20.957 22.314 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 13.179 31.866 0.359 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 -4.949 4.371 1.247 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 2.232 3.571 -6.476 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 -8.841 31.305 21.523 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 3.621 5.719 -3.526 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 15.046 -1.982 -3.220 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 13.099 10.898 -17.321 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 2.114 0.531 -12.117 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 -6.761 0.583 15.701 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 -15.701 -3.931 16.171 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 -5.739 4.188 2.425 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 -4.969 -30.677 -9.188 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 -5.825 7.711 2.582 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 -0.711 1.623 0.297 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 -12.257 -9.665 5.689 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 12.126 7.067 18.634 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 -0.908 -5.297 0.789 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 -1.939 13.524 -8.554 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 6.256 -20.205 9.665 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 0.845 6.698 4.188 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 -5.516 -0.043 -0.130 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 -4.297 -9.474 -12.228 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 -1.400 6.625 -6.210 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 9.189 14.635 -17.039 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 -9.118 19.401 3.156 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 -0.357 5.814 -2.849 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 -12.597 -0.884 11.698 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 10.160 -2.093 -2.389 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 1.292 -1.742 0.031 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 -12.784 28.524 -5.305 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 -6.739 4.352 12.567 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 4.392 -6.134 1.596 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 3.899 30.435 -12.924 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 -1.464 -18.403 -7.721 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 -3.527 -8.652 4.024 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 0.654 -9.218 2.162 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 4.820 5.601 -2.004 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 -0.418 -6.855 -1.379 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 0.829 -1.495 7.458 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 2.899 6.283 1.532 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 -4.219 2.470 0.690 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 10.339 10.895 -12.225 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 14.383 0.605 -31.806 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 -1.590 -2.663 -2.862 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 -0.841 4.459 -7.959 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 -17.392 -1.313 -3.205 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 -0.692 -4.918 -7.990 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 4.275 -13.447 -11.747 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 -1.512 -12.944 -7.132 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 1.390 -2.782 1.180 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 -9.985 14.446 14.566 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 2.260 9.121 -1.718 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 -1.414 -0.355 4.152 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 4.537 15.810 -7.514 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 8.247 -14.474 21.406 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 4.013 -1.248 3.580 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 22.071 -10.826 25.643 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 2.657 -19.032 -10.559 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 2.911 -0.692 4.921 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 9.237 -5.291 5.783 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 -9.232 6.896 8.118 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 -6.360 5.792 0.009 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 8.090 5.637 3.943 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 -6.755 -12.783 -3.748 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 -4.206 -0.856 7.235 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 1.979 -16.456 2.170 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 -4.573 8.571 -7.159 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 2.400 -3.575 -0.876 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 9.510 -17.014 14.486 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 6.604 -38.832 -38.372 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 2.130 -2.264 0.631 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 6.663 3.903 -3.442 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 -8.292 -17.005 11.959 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 -3.894 -2.193 -1.357 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 -4.854 -0.071 7.851 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 4.091 -2.729 -6.490 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 -4.800 -3.250 -0.118 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 -22.886 -4.850 13.537 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 -1.991 -2.072 -2.388 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 1.933 2.574 -3.641 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 12.676 -11.954 5.339 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 5.198 -10.464 15.411 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 -3.664 3.005 -0.684 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 -19.432 24.888 -6.245 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 17.096 -14.966 -10.145 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 -0.053 -0.353 -0.869 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 -0.391 -11.553 16.188 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 -2.810 10.075 -13.899 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 -0.195 -3.206 -4.908 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 -24.787 10.953 1.278 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 7.665 14.669 13.647 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 -5.693 -7.002 -4.037 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 15.345 15.616 3.115 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 6.937 -6.579 -27.634 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 0.029 8.047 -0.952 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 -1.894 23.981 -23.465 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 3.916 8.181 7.670 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 6.280 0.621 -11.066 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 5.152 6.688 -21.728 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 1.813 -9.953 -6.125 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 -2.518 6.843 0.820 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 -13.214 -7.587 -21.075 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 -17.292 31.656 0.529 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 -0.526 -2.609 1.731 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 -6.061 -2.303 5.123 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 -6.172 -0.168 6.297 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 4.243 -1.911 -7.558 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 6.326 -10.454 -9.285 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 -1.964 6.334 -9.065 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 0.802 -2.814 -3.385 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 3.155 -22.307 -16.234 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 13.862 2.300 -6.284 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 0.218 1.143 -0.101 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 3.273 -7.683 5.185 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 2.199 -3.339 2.883 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 1.518 -0.898 6.137 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 1.551 7.567 -3.496 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 5.223 -4.013 18.867 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 7.685 -3.967 1.337 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 -4.379 -3.468 -5.842 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 27.563 -9.261 -9.190 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 -10.437 -0.075 0.131 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 -6.496 5.598 10.256 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 -15.217 -11.143 2.530 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 -4.248 -3.082 1.016 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 0.919 3.762 -7.842 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 2.498 -9.152 9.598 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 -3.033 6.383 1.097 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 3.466 -21.333 -5.252 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 22.220 21.749 -2.073 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 0.330 2.669 -7.199 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 -18.481 -5.207 -8.230 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 16.141 0.166 -27.174 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 -4.086 0.128 0.385 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 4.968 7.632 16.453 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 9.192 10.581 23.799 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 -1.532 2.352 3.076 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 6.368 -22.061 1.308 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 2.833 14.571 -6.923 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 4.980 -0.813 -1.093 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 2.825 -3.217 2.396 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 6.922 -1.335 5.691 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 4.208 -2.689 5.209 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 -5.603 21.299 23.956 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 -4.580 -10.748 8.944 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 -0.652 3.474 -0.760 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 11.850 6.562 -24.657 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 -13.621 3.763 -33.875 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 6.945 -1.382 -1.610 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 1.727 -12.075 -3.364 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 -4.402 7.609 4.202 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 2.724 1.231 -3.414 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 -11.610 9.233 -7.243 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 5.485 3.379 12.673 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 -2.276 -3.277 8.607 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 -9.430 -15.045 -28.844 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 0.976 -5.421 -2.975 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 -0.245 1.282 0.947 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 -1.244 -2.911 -23.327 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 9.938 -19.084 10.361 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 -1.911 -0.520 -2.072 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 -20.048 -8.790 4.574 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 0.072 -4.909 8.345 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 3.549 -4.535 9.916 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 -7.512 -5.133 -10.438 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 14.320 -2.762 31.465 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 -1.136 0.354 -1.430 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 -15.019 10.704 1.674 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 4.347 -0.357 -2.006 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 1.684 -1.166 -6.669 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 7.318 16.253 13.136 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 -10.112 -33.656 5.490 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 -1.794 -0.792 2.172 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 -3.441 -0.336 -4.024 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 -9.021 -4.687 3.962 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 -0.895 -2.033 2.018 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 -3.503 0.212 3.887 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 6.767 -1.689 0.120 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 5.526 -2.062 -3.585 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 -16.690 -10.019 -14.448 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 19.331 -18.212 -10.707 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 1.489 1.086 6.981 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 -0.125 6.087 0.493 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 -20.245 2.038 -0.884 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 1.886 0.292 -3.181 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 3.916 0.661 -1.483 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 -6.070 -39.552 -6.172 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 -0.229 5.352 2.092 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 18.025 10.156 18.273 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 12.174 11.011 14.151 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 5.363 1.969 -4.213 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 -7.858 10.324 -27.942 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 5.046 5.416 27.324 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 1.277 -1.804 2.628 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 36.542 16.146 -7.204 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 1.187 0.013 9.567 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 -3.247 2.370 3.020 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 -2.398 -9.175 15.980 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 14.069 18.723 2.237 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 5.179 0.229 6.661 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 -0.874 3.605 30.289 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 -0.400 4.427 0.406 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 3.751 7.389 -4.875 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 2.706 -3.848 -7.947 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 17.983 11.924 14.811 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 3.713 -3.023 -0.989 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 -11.162 13.755 10.753 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 20.683 -10.843 -5.795 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 4.516 3.571 2.355 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 3.492 3.657 1.669 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 -22.559 -9.289 -15.041 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 -4.183 2.998 0.336 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 -8.383 6.867 -10.416 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 -14.848 6.694 -3.528 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 -1.794 -3.022 -3.788 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 0.385 3.299 13.424 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 -14.273 14.585 29.996 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 3.204 0.788 2.219 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 8.691 1.352 -0.438 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 -34.202 5.966 10.035 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 -0.023 -3.967 0.848 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 5.436 3.015 -6.848 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 10.215 1.967 -4.382 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 -4.001 2.839 12.598 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 5.483 -2.978 12.193 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 -28.294 -23.559 -7.563 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 -2.440 1.289 2.694 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 -11.850 -8.540 -30.017 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 3.493 8.430 24.970 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 7.919 1.746 1.950 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 20.354 -3.216 9.333 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 6.791 -3.133 11.031 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 -6.822 -1.501 1.323 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 -29.435 14.863 11.687 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 1.918 -6.361 -2.389 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 -4.615 -6.456 4.649 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 3.422 -26.154 10.720 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 -17.963 21.405 -7.713 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 -4.925 0.306 -0.443 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 -7.263 -13.239 -3.004 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 3.568 5.609 11.108 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 5.440 -6.664 4.254 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 15.144 -13.438 6.818 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 11.197 -22.752 7.281 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 7.935 7.519 -1.207 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 10.447 19.204 -27.504 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 -14.642 6.013 2.602 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 -2.442 -2.747 -5.219 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 -5.134 6.280 3.895 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 -1.448 16.089 16.393 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 -3.546 -3.154 2.446 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 12.380 -21.530 -3.436 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 -12.542 6.024 4.186 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 -7.840 -1.369 0.601 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 -12.093 12.188 -7.332 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 10.746 5.532 -26.058 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 -5.666 -1.722 -2.150 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 7.218 -12.931 5.789 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 15.839 -22.141 -11.043 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 -2.853 3.675 -1.455 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 7.515 11.032 3.390 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 -1.036 -10.088 -21.140 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 1.689 -0.946 0.101 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 2.818 0.067 -0.981 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 -1.772 -8.490 2.613 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 -6.775 -2.970 -0.586 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 7.542 -3.815 -8.310 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 -6.543 12.091 6.968 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 -0.620 -7.306 3.431 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 -6.147 -29.847 -2.997 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 -7.192 -29.755 -1.115 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 5.373 1.021 0.903 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 9.823 4.258 5.951 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 5.928 1.049 1.593 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 -5.261 1.846 7.568 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 -6.967 3.363 9.552 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 -11.092 3.835 10.571 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 -3.830 -3.525 2.683 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 -14.151 -9.006 1.900 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 2.951 -9.577 6.067 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 0.113 7.911 -4.357 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 6.747 -4.185 -7.997 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 -1.513 15.935 -15.054 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 -3.072 -1.964 -3.264 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 -2.813 7.404 -6.635 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 -1.205 -21.002 -4.207 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 -5.080 3.136 2.328 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 5.799 0.900 -10.099 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 7.784 -5.843 9.697 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 3.434 -2.619 2.182 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 1.552 0.385 11.074 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 -11.200 5.152 1.166 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 -6.706 4.477 -0.257 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 3.288 2.304 4.100 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 -13.888 5.666 -3.906 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 -0.847 -1.363 -5.705 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 1.104 7.441 11.367 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 -0.758 16.645 -12.763 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 -1.521 -2.219 -0.644 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 17.823 -1.958 10.251 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 -9.354 2.188 -0.698 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 -4.167 5.149 0.277 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 -7.447 13.700 -1.466 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 3.326 6.318 7.294 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 3.514 6.063 -0.615 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 10.638 3.654 -1.904 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 -10.945 14.672 4.679 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 2.778 3.963 0.559 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 -6.419 0.085 8.239 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 6.929 0.895 2.618 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 1.001 -1.237 -2.999 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 6.263 -2.012 -6.340 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 -4.833 0.069 1.554 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 -0.154 -5.876 -0.325 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 7.783 -4.215 -6.466 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 1.321 -0.038 6.001 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 -0.054 -3.115 -3.009 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 14.413 -2.501 -12.102 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 -10.673 -14.057 -5.976 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 -2.341 3.329 0.469 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 2.803 -1.346 -11.301 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 9.163 7.182 9.935 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 -4.901 -0.154 -0.465 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 -4.651 4.880 -12.350 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 0.855 17.828 -43.105 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 5.950 -1.388 3.266 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 -6.010 -8.669 8.479 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 3.723 16.713 -8.188 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 0.732 -5.144 2.284 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 1.667 -3.710 4.905 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 6.856 -2.299 23.440 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 3.933 -3.574 -0.334 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 -3.618 19.383 -18.488 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 -15.485 27.494 12.625 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 3.000 -2.013 3.267 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 -17.088 15.688 -5.471 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 -16.836 16.713 -7.941 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 -3.194 5.753 6.117 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 -3.305 2.772 9.397 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 -2.947 -5.960 20.238 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 0.559 6.460 -1.392 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 0.050 7.591 3.611 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 -14.397 21.899 -3.051 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 -3.874 -2.378 1.619 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 -9.193 -8.288 -10.715 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 -11.983 -1.529 2.222 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 -8.002 5.062 -2.959 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 -0.654 6.832 -5.001 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 -7.646 -1.951 -7.292 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 4.026 -5.412 -0.425 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 -21.413 29.184 17.648 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 -2.215 -3.127 -1.088 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 2.798 1.695 0.822 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 2.517 -0.847 -3.627 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 14.548 2.430 -12.932 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 -6.328 -0.985 4.596 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 -7.105 0.638 5.805 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 12.826 20.892 2.677 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 -0.724 -2.803 1.756 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 -7.866 4.994 -13.647 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 0.329 -1.594 4.109 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 -0.471 8.237 0.870 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 -24.961 7.971 15.252 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 7.466 24.119 4.457 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 -1.307 1.649 -3.216 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 -12.979 0.084 -2.340 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 6.070 -9.754 7.433 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 -7.787 -0.601 -1.913 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 6.245 -13.011 0.984 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 1.199 19.045 21.062 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 -0.419 -2.784 -6.312 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 2.219 -0.917 -26.114 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 15.364 -4.374 14.141 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 7.787 -6.042 0.413 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 20.509 -0.755 5.251 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 8.477 5.541 9.745 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 1.804 -0.864 -0.538 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 31.347 35.741 7.253 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 -3.907 -28.665 -18.930 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 -1.137 -0.103 1.730 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 4.410 -5.460 -10.900 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 -10.048 -9.711 1.445 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 -3.228 -2.698 0.374 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 -11.853 -9.093 -6.138 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 -0.457 -13.064 -6.364 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 4.776 -3.111 -4.859 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 -13.312 16.348 11.044 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 -20.218 8.572 7.082 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 6.025 4.606 -1.305 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 20.096 -31.017 4.419 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 17.198 -24.701 2.377 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 -5.166 -5.336 2.145 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 -1.426 0.543 4.618 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 -9.638 -16.765 14.575 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 5.328 -1.947 -1.554 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 21.426 -18.793 14.447 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 13.910 13.790 -1.853 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 -0.482 1.680 -6.140 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 -0.195 1.676 8.377 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 -4.063 4.061 -15.453 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 3.719 0.030 -4.005 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 -0.798 8.594 2.132 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 6.512 9.161 -1.679 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 -3.854 -5.765 1.035 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 -13.318 -4.019 -8.868 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 -10.836 -11.183 -2.845 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 1.640 -1.716 0.923 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 -2.994 -8.690 -6.769 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 5.385 -1.803 9.038 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 0.161 -3.518 -7.566 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 10.360 1.270 -12.305 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 6.317 -10.678 -3.399 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 -2.942 2.826 -0.540 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 -5.475 25.560 0.776 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 18.367 6.156 10.330 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 6.327 -12.805 -1.273 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 0.425 -1.507 -6.066 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 8.856 -4.568 -12.498 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 0.435 0.930 3.513 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 20.973 -8.042 20.569 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 -6.311 -12.576 18.040 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 -0.915 3.132 -3.684 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 -19.779 4.013 -0.292 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 -25.224 -8.686 -0.031 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 4.168 5.954 3.747 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 18.724 3.702 -13.539 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 -8.315 4.715 1.709 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 -2.360 -1.058 6.997 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 -9.755 -0.342 -3.431 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 1.660 -27.565 3.542 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 -4.217 0.693 -0.473 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 7.768 -12.605 -6.419 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 3.692 -11.437 -1.858 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 1.903 5.640 -3.713 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 5.332 2.387 0.955 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 -1.962 8.128 -8.604 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 3.479 2.775 -4.304 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 -13.810 -12.164 -4.907 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 -5.775 5.375 -6.446 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 -2.315 3.720 3.264 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 6.671 -10.129 -17.589 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 14.162 3.827 3.853 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 -0.437 -1.980 2.445 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 3.146 -2.237 3.165 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 13.966 13.361 -23.063 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 -6.339 0.165 0.529 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 -7.110 5.421 9.576 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 -5.937 4.633 3.674 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 5.341 1.790 5.847 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 -0.461 8.612 4.069 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 0.328 18.586 11.960 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 -3.258 6.786 8.411 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 10.585 9.076 4.286 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 0.386 10.388 5.614 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 -1.609 -6.402 -2.081 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 -11.842 -9.917 -3.041 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 -4.801 -8.797 -1.490 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 0.278 1.340 1.566 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 -0.493 -20.508 3.500 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 -1.855 5.741 -15.447 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 -3.945 -0.078 -9.328 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 -15.503 4.463 -6.962 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 1.951 -18.030 -15.696 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 -9.373 4.004 2.756 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 -7.694 -3.084 26.078 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 6.075 24.217 -5.003 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 -2.899 -0.677 4.776 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 -6.796 -13.340 -7.773 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 -4.887 -11.682 -2.862 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 -5.046 5.602 -2.330 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 -10.817 -28.623 2.037 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 -17.118 13.024 5.011 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 -6.350 5.874 10.029 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 9.854 -7.152 5.592 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 -4.116 4.614 8.249 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 0.490 0.993 -7.625 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 4.104 -7.286 10.616 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 8.557 -10.805 -28.627 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 5.193 3.565 -0.637 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 -1.710 9.528 4.551 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 6.890 4.764 -5.605 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 1.247 4.178 2.620 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 1.175 15.743 27.695 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 -11.928 13.889 -5.437 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 5.252 5.853 1.755 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 7.443 6.339 2.473 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 10.539 6.643 4.498 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 -3.153 -5.037 2.111 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 -16.741 -9.149 2.746 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 -8.777 -10.130 23.913 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 -5.031 0.002 -4.238 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 -1.010 -2.973 -3.411 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 -4.197 12.000 -15.373 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 -0.562 -1.675 -2.091 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 16.036 -12.583 -7.331 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 3.516 15.654 9.446 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 -5.703 -3.679 1.599 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 22.913 25.123 -10.088 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 -4.744 -20.551 12.561 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 -6.210 5.852 2.302 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 10.921 -16.007 -23.925 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 13.452 37.402 3.045 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 -0.592 -3.498 1.287 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 -6.217 -0.699 6.382 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 5.960 -2.043 7.492 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 -3.485 -1.906 -5.583 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 -9.399 -29.551 -49.091 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 -1.951 2.294 23.266 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 -1.937 1.086 0.764 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 -1.152 12.369 19.273 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 -6.637 -9.385 -11.300 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 -3.408 -5.410 1.867 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 -6.643 2.255 7.381 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 -6.252 12.720 5.381 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 5.603 -3.397 -10.675 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 -4.650 -24.318 9.570 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 31.609 -8.029 -9.597 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 -1.395 3.007 -1.520 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 6.444 -3.503 -4.775 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 -8.783 -1.319 9.571 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 -3.152 -2.600 3.702 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 -1.649 -4.493 -3.618 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 0.620 -7.021 -13.043 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 2.045 5.731 -4.262 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 -4.240 -3.950 10.695 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 -9.020 -0.439 0.999 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 -6.021 0.837 0.008 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 12.952 4.483 8.363 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 -13.612 3.585 -7.972 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 -8.191 -1.257 0.037 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 -21.251 -3.276 3.956 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 -6.666 -0.362 -5.196 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 -5.996 -2.066 0.486 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 20.628 1.097 -33.803 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 5.102 8.530 16.811 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 -4.045 -8.035 -0.186 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 11.225 -2.504 3.169 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 8.335 -4.900 2.697 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 0.871 1.905 3.369 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 -3.361 1.225 6.075 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 0.934 -1.510 0.536 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 4.498 2.328 0.211 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 -20.851 5.584 -12.716 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 3.001 -10.311 26.350 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 -0.503 0.354 0.428 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 11.416 7.661 -9.532 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 -10.148 -1.607 5.093 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 6.026 -2.623 3.024 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 4.015 1.915 3.092 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 11.209 -6.994 5.726 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 4.600 -2.123 -1.958 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 4.179 -5.760 -6.729 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 19.069 -1.080 -18.685 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 -10.598 3.264 -2.011 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 -13.896 6.497 -7.812 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 -0.557 20.846 3.304 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 6.902 -3.167 -7.432 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 10.059 -3.754 -1.372 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 -6.013 -8.407 8.070 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 0.278 -0.621 -0.297 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 -18.140 -8.239 3.311 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 15.478 8.261 -0.035 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 -2.241 -8.941 -0.372 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 11.031 16.171 -30.368 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 10.871 -9.811 13.377 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 -6.184 -0.580 -1.862 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 -7.939 -12.261 6.190 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 -9.020 0.154 -8.355 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 5.400 5.079 9.198 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 -8.649 9.025 -12.572 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 5.121 -6.135 13.521 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 5.464 -9.289 -8.018 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 -1.276 -5.093 -0.138 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 14.852 -14.706 -21.821 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 -1.030 1.234 3.453 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 0.441 12.676 -15.861 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 5.152 7.348 9.148 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 -1.813 2.897 -3.383 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 13.166 -6.997 0.475 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 3.398 0.355 -5.822 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 2.785 -1.443 4.112 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 -7.185 2.096 -4.232 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 -5.504 -2.839 7.117 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 -1.336 -0.936 1.095 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 28.144 -9.919 7.535 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 -3.020 -5.437 -13.972 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 2.357 1.470 -4.633 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 8.038 15.206 7.666 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 -10.490 -2.265 0.185 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 -0.461 -1.692 1.810 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 5.092 33.883 1.488 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 22.798 -2.585 -7.598 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 5.121 -5.403 1.086 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 4.910 0.668 24.043 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 5.602 -8.771 -6.271 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 -4.887 2.343 2.006 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 -11.529 -13.171 -14.042 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 11.355 14.398 13.100 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 -1.303 -0.426 1.650 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 -21.793 5.319 22.153 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 -12.057 5.557 13.918 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 1.516 -2.988 0.409 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 -4.561 19.485 1.896 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 -14.603 9.746 8.505 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 -0.577 6.542 6.061 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 15.933 -3.934 12.787 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 8.088 18.553 13.085 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 11.249 -3.163 0.280 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 1.625 5.490 3.015 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 32.870 -25.825 -5.804 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 -2.197 0.933 0.498 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 -10.044 1.390 -4.028 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 -0.950 8.628 3.694 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 -1.387 -2.952 -2.996 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 22.625 11.968 14.156 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 7.389 1.073 4.237 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 -0.863 3.484 3.130 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 12.686 14.070 8.706 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 14.603 10.846 19.289 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 -8.751 3.413 0.291 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 11.122 2.183 -11.021 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 -0.220 -1.352 -11.239 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 0.043 -4.130 -0.366 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 -8.345 23.263 4.690 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 -13.998 -4.106 -1.911 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 1.127 0.155 5.707 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 16.992 1.908 8.746 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 15.565 -1.907 6.819 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 0.141 -0.200 3.878 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 0.903 -4.694 12.461 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 -0.884 0.424 -19.638 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 -0.666 -2.250 -4.332 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 -1.083 9.420 11.889 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 12.250 6.227 -17.253 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 5.273 -4.862 3.260 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 -3.167 19.282 -0.426 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 21.225 -6.213 10.529 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 -0.496 6.107 -1.434 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 -5.248 -9.056 -12.967 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 16.638 -0.377 12.653 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 -1.972 2.203 -4.019 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 -4.202 8.991 -2.752 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 2.062 5.939 -2.854 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 0.293 -3.923 -3.506 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 7.292 3.379 1.026 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 -9.071 1.574 -7.963 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 0.972 -4.287 3.185 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 3.113 -6.886 0.798 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 2.578 28.165 -17.168 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 -1.748 3.361 8.389 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 -6.115 -6.442 12.899 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 3.372 8.142 12.253 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 1.833 -3.396 1.011 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 9.856 1.791 24.339 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 3.067 18.125 -9.902 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 -6.602 1.466 -2.053 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 -4.186 2.861 1.111 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 -4.794 -1.212 -11.415 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 -4.629 -6.755 -3.153 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 -30.737 -11.913 3.647 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 1.076 15.562 9.838 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 1.602 0.822 -6.725 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 -4.928 9.259 -3.674 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 -5.762 -1.960 20.073 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 2.181 -4.227 -4.293 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 -10.180 -16.590 -1.818 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 -13.647 -18.010 -1.620 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 -4.310 -3.174 -1.849 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 18.846 2.396 -11.715 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 -3.423 -23.224 10.219 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 0.621 -3.683 0.372 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 -1.852 7.676 -7.682 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 -9.656 1.608 5.666 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 -3.595 3.752 -0.222 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 -9.881 -2.136 3.682 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 15.843 -5.957 -10.292 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 -2.061 -0.855 2.426 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 -4.898 8.713 0.796 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 -3.359 -17.229 15.951 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 0.769 2.646 2.122 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 -18.213 -0.420 -6.096 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 8.296 5.458 -16.887 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 -3.103 4.565 -1.207 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 2.639 -3.293 0.359 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 -1.308 2.753 -10.071 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 3.278 4.373 1.628 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 17.104 24.929 7.035 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 11.243 16.006 1.477 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 5.509 -3.291 4.936 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 2.113 0.836 1.272 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 9.640 -6.990 11.625 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 4.901 -3.235 6.990 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 3.545 2.899 5.138 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 7.327 -5.490 1.657 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 -1.810 0.595 -8.625 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 -15.202 -2.812 8.756 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 -0.363 7.846 -22.756 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 -2.992 2.314 2.747 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 43.426 28.936 8.439 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 -9.642 -0.739 0.621 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 1.350 -2.948 -4.129 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 -0.486 -6.201 -17.233 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 6.270 10.091 7.034 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 -4.586 -0.009 -4.613 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 0.332 -2.450 -15.099 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 14.713 6.196 17.170 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 -3.943 3.028 -4.160 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 -14.602 3.097 -5.890 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 10.322 0.923 9.599 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 -5.180 -0.398 4.420 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 -2.329 -12.502 1.433 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 4.559 3.068 9.049 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 -0.221 -3.927 -0.894 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 -3.674 3.536 -7.439 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 17.295 -7.916 0.571 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 -1.877 2.908 3.203 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 -5.248 6.409 5.558 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 -3.822 1.804 3.438 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 4.241 -3.372 -0.486 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 -8.767 6.283 11.725 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 24.959 -11.263 -4.424 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 2.573 -3.961 4.123 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 11.621 1.181 5.258 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 5.664 -3.916 17.025 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 -3.122 -0.210 -4.281 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 -10.660 11.972 3.031 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 -5.146 2.607 -5.438 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 -3.379 4.957 1.232 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 18.738 13.146 1.790 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 -15.351 11.093 28.804 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 0.718 -4.314 -7.747 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 -22.985 15.311 0.400 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 5.295 -4.041 7.597 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 6.149 -0.085 -6.812 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 -13.911 12.740 -6.130 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 1.005 -17.366 3.383 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 2.586 4.330 1.790 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 11.569 -2.350 2.090 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 -6.638 10.760 1.535 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 1.259 -6.710 0.740 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 -1.998 -14.698 -2.098 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 -13.542 -8.324 5.520 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 -3.446 -4.453 1.611 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 -15.929 -11.528 -1.643 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 -9.274 -9.889 -3.609 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 -0.303 0.677 -5.323 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 2.036 0.385 -10.183 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 -5.520 1.557 -2.224 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 -4.386 -0.343 -7.013 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 12.600 -6.212 -17.297 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 9.537 -6.606 11.361 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 4.157 -5.692 4.237 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 15.393 11.480 -9.541 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 11.669 5.368 -3.239 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 1.305 -2.756 -7.417 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 5.869 -10.173 0.009 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 6.063 -5.135 -13.617 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 5.759 1.764 3.686 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 20.112 -17.481 2.642 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 9.665 2.084 3.946 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 -2.225 6.099 4.628 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 -14.652 -14.590 1.567 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 -4.068 9.268 7.182 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 -4.156 0.580 1.247 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 5.075 -13.523 -18.724 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 8.666 2.824 -4.805 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 1.923 4.997 6.494 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 37.896 -1.854 -1.066 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 10.894 -10.813 -9.019 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 0.682 5.381 -6.180 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 -17.902 8.207 10.826 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 -5.331 -31.491 28.057 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 -0.408 1.549 3.987 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 6.559 2.030 -2.574 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 10.870 -6.223 13.081 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 -2.959 -0.289 -0.781 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 -6.819 -4.762 1.193 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 2.699 -9.143 -11.855 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 -5.352 0.171 8.621 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 -8.985 6.514 -0.325 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 -0.499 -6.940 18.276 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 -0.948 3.068 4.663 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 -3.591 -2.781 3.454 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 -2.692 9.341 4.356 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 0.764 -1.861 4.590 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 5.855 3.006 13.242 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 -7.071 -0.872 3.390 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 -1.201 -3.400 5.377 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 -19.321 -19.456 -3.375 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 -2.498 11.674 -1.501 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 -4.259 4.337 -2.686 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 -3.476 6.322 -0.988 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 -6.246 -2.083 -7.597 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 3.089 -5.392 -1.768 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 -6.223 -16.624 -17.329 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 20.017 0.947 -10.570 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 -0.590 0.015 0.697 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 3.120 2.506 0.534 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 -31.053 -20.497 -0.591 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 -2.813 -0.316 3.656 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 4.143 -11.307 -8.740 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 8.491 2.876 -18.281 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 -0.550 -2.364 -0.792 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 -5.767 5.314 -12.027 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 2.533 -33.188 -9.202 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 -0.788 6.645 2.663 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 22.750 10.504 -12.616 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 2.778 -3.022 24.415 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 11.761 -7.077 -2.823 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 -15.084 -12.438 4.052 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 14.375 27.493 7.278 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 -5.621 2.725 1.106 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 4.231 5.801 -0.031 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 9.218 7.468 1.328 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 0.223 3.091 3.259 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 0.921 -15.248 -2.564 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 1.842 -17.510 -8.121 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 -2.150 3.328 -1.939 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 -3.116 4.453 -6.754 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 3.785 -9.477 0.666 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 0.553 5.036 -3.328 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 9.291 -5.034 -4.102 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 -5.335 8.301 -11.471 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 -2.005 1.642 0.575 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 1.325 3.947 0.526 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 -7.484 7.428 -2.477 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 0.235 2.945 -1.215 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 22.222 0.402 15.349 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 7.114 -14.858 13.206 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 -0.259 4.371 2.964 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 6.546 31.758 13.569 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 -19.449 7.711 -18.835 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 2.915 -1.765 1.775 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 -9.875 2.887 1.982 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 -0.885 8.538 9.770 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 2.603 -2.262 -5.246 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 -17.011 -0.797 0.372 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 -31.924 -0.422 4.794 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 0.207 5.313 1.922 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 2.221 15.701 10.871 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 -13.202 5.053 -4.698 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 -0.615 1.022 1.336 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 -5.429 -10.701 9.372 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 6.642 14.137 -5.681 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 5.117 -5.270 -0.000 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 -5.965 -13.581 1.779 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 -2.786 -13.733 2.849 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 -1.120 2.503 6.100 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 -9.120 -2.167 -0.868 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 5.192 6.677 13.014 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 7.700 -2.849 1.677 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 -0.121 -1.960 -14.317 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 7.192 12.582 5.658 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 -7.875 -4.497 10.077 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 -17.226 25.319 -11.030 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 -9.785 -0.309 3.963 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 -3.589 3.929 1.367 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 -4.934 -4.154 -31.131 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 -14.620 10.397 -0.167 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 -2.621 -3.986 -5.221 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 -24.180 19.094 3.289 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 -16.689 11.300 -8.129 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 -0.868 7.090 2.239 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 -13.892 11.069 3.449 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 4.531 8.642 -14.367 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 -0.260 1.176 2.559 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 -4.187 -13.372 9.077 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 10.371 17.189 -0.531 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 -3.900 -1.439 1.802 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 -8.091 7.826 10.216 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 7.358 -5.486 5.181 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 6.209 2.791 -3.170 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 -2.026 0.696 -11.247 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 -1.093 2.607 3.878 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 3.860 3.783 -3.564 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 4.425 7.814 -0.440 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 1.859 -14.417 -17.138 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 2.561 1.702 -0.174 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 11.823 7.379 -3.950 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 -1.470 10.328 5.907 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 -3.014 4.908 1.198 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 -0.403 8.163 -1.253 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 -9.798 2.286 7.311 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 0.880 1.245 -3.640 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 -6.528 -17.343 10.509 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 7.028 15.819 0.522 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 -2.181 -2.192 -3.550 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 -0.657 -10.513 0.422 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 -2.739 0.407 -2.005 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 2.891 1.013 -10.470 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 -17.498 11.556 -14.916 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 20.481 9.239 17.942 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 -3.750 0.450 1.667 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 12.871 28.109 17.273 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 -14.324 -5.918 -15.681 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 0.641 2.350 0.460 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 2.356 -8.164 -16.717 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 -1.770 15.605 -1.610 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 4.689 -3.749 -0.189 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 -0.243 4.404 20.827 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 -4.688 -21.695 3.563 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 -4.989 0.790 1.579 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 -10.613 -2.966 4.801 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 -3.257 -3.213 -1.078 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 3.481 -1.832 -0.092 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 2.825 -5.560 0.297 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 2.927 -9.954 -7.217 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 0.702 0.270 2.612 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 -4.367 4.683 0.816 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 7.357 -15.260 -14.681 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 1.688 2.019 -3.926 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 3.186 -16.845 3.793 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 4.889 15.540 4.607 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 -3.122 -3.685 -5.007 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 -5.700 8.876 -20.186 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 8.667 -3.205 18.474 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 5.838 5.524 -1.727 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 -1.540 -1.851 5.943 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 2.195 5.294 -21.934 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 0.703 2.372 4.327 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 -10.291 -0.980 6.486 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 2.107 4.313 5.475 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 2.629 4.274 -2.311 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 5.233 1.800 -0.204 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 3.338 2.142 -0.319 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 -1.656 -4.355 7.088 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 -5.395 16.721 -6.612 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 5.444 -18.436 1.905 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 4.618 0.108 4.029 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 -4.112 5.918 25.255 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 -9.689 10.830 -14.365 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 -0.573 -2.705 0.823 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 -29.013 16.203 24.184 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 23.991 -3.231 -16.796 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 -4.141 -9.972 3.953 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 1.675 2.833 -2.139 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 19.634 -3.891 -1.070 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 -3.840 -0.802 1.498 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 0.929 4.046 11.544 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 2.223 -8.730 -7.574 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 -0.958 6.890 2.246 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 6.703 -4.498 18.398 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 -0.902 7.642 -12.961 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 -2.357 1.813 -1.322 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 -3.996 10.020 2.924 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 -10.436 -9.543 -8.792 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 3.846 -6.554 -3.360 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 -18.582 -10.810 -2.168 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 -9.065 -10.960 -7.791 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 0.706 7.321 -3.076 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 -1.662 3.809 -5.126 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 9.759 9.455 1.757 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 -3.244 -4.549 -0.178 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 -9.404 -0.954 -12.596 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 -7.624 -9.338 -13.741 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 0.601 3.024 -1.199 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 -31.092 -11.090 18.886 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 -22.303 -9.110 15.130 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 -0.502 2.327 -4.381 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 -45.103 8.302 20.358 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 -3.658 -0.936 -2.271 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 -1.490 1.760 2.726 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 10.325 6.192 7.503 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 -2.373 2.598 -11.091 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 -0.085 -3.618 0.092 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 6.681 -4.504 -6.990 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 -2.695 5.548 15.696 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 -3.000 -3.355 3.385 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 4.273 -17.986 -9.068 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 2.816 -1.362 -8.614 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 -0.502 2.502 7.705 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 37.725 -2.835 -6.849 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 6.633 -19.787 -5.379 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 3.880 -0.873 -8.746 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 -5.933 4.710 -5.136 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 9.397 -4.492 -13.522 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 -2.987 1.640 -2.777 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 1.678 4.497 2.550 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 5.362 10.173 6.096 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 -0.956 -3.563 -1.260 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 1.660 6.332 3.247 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 -4.629 0.123 -13.171 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 -12.062 3.601 2.302 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 -18.264 -3.631 17.412 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 0.103 -6.163 -2.892 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 -3.434 -0.666 0.280 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 -2.971 -4.315 -1.624 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 -10.070 -2.932 3.731 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 -4.309 -1.247 -1.156 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 -3.551 -3.718 -3.797 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 3.286 2.076 11.665 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 4.608 1.510 -1.675 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 -13.971 -21.487 1.962 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 15.551 2.024 -13.738 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 6.595 2.321 0.823 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 9.634 -6.703 3.194 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 4.995 13.559 -0.669 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 0.305 0.707 3.881 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 -5.446 -11.113 9.012 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 0.021 -5.718 -11.641 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 -1.056 -0.254 -1.267 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 6.077 -4.280 22.073 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 8.176 -7.629 -2.489 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 3.917 -6.099 -4.338 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 1.137 -3.146 -2.457 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 -4.194 -5.068 -3.633 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 -1.817 0.653 3.763 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 -3.440 8.083 10.918 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 11.029 6.316 11.609 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 2.755 2.264 -5.153 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 -1.144 12.676 -5.727 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 7.105 0.165 -16.307 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 -0.371 -8.838 -3.214 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 -6.701 -14.129 9.831 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 8.748 2.847 -3.181 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 3.772 1.163 1.990 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 18.756 4.754 4.330 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 -16.470 -3.657 -1.188 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 2.325 -0.300 2.254 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 1.055 -1.648 3.305 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 -6.954 -12.553 -25.041 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 1.341 -4.599 4.359 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 -12.345 -1.733 -13.230 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 7.388 -15.894 -13.913 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 -2.361 -1.952 -0.215 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 -2.492 5.005 8.381 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 -17.565 1.370 -8.305 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 -4.059 -0.832 -1.402 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 -13.948 -18.423 -0.472 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 -23.246 2.304 32.564 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 5.050 -1.396 2.680 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 5.030 1.025 5.303 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 14.603 4.471 5.771 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 -3.889 1.538 2.284 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 9.061 -7.540 3.820 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 6.631 10.698 6.061 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 3.166 4.595 -6.509 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 13.555 -12.577 9.848 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 -16.170 11.433 3.340 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 7.477 1.538 5.600 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 8.955 -4.943 11.078 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 6.924 0.905 5.581 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 -7.889 2.566 -4.183 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 -31.908 5.910 -9.542 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 -19.621 3.114 -5.819 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 2.049 3.211 3.552 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 16.809 -5.609 -9.566 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 10.721 12.204 7.980 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 -0.833 1.243 1.039 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 -6.176 9.770 -4.099 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 17.956 -13.796 13.385 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 -1.488 -1.805 -0.517 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 -8.339 -13.656 7.930 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 17.457 -4.250 -0.719 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 11.470 -2.927 1.166 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 5.069 3.103 -21.173 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 -3.697 -11.617 13.625 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 1.861 0.139 -1.800 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 5.786 -0.528 -1.940 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 -9.185 -9.204 -14.243 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 -1.864 -0.527 -0.519 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 -0.986 -22.972 19.967 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 -0.443 9.018 -23.829 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 -3.197 2.060 5.297 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 -13.796 -3.325 -36.200 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 -16.903 12.430 10.561 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 0.791 5.823 -2.414 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 -12.793 17.898 5.572 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 10.160 1.487 -11.128 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 -0.053 3.721 -1.893 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 13.229 -6.162 12.008 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 7.320 -5.470 -6.771 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 -2.106 1.509 -0.392 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 15.399 5.829 -6.200 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 -3.359 7.578 15.970 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 -1.571 6.183 -2.565 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 -23.159 20.599 12.472 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 -24.461 10.836 10.633 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 -4.517 0.201 2.798 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 -3.421 -4.587 -1.256 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 -14.339 -0.370 -2.463 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 -2.012 2.240 5.335 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 13.271 -13.416 1.282 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 -13.628 3.761 -13.254 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 -1.415 -3.289 9.697 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 2.413 -26.996 -8.865 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 18.627 -28.298 -4.788 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 -7.317 5.877 -2.087 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 4.210 6.093 0.044 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 5.077 -1.689 21.548 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 0.698 -3.864 1.098 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 -4.468 -2.526 -4.278 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 -10.611 -7.515 -9.776 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 -1.209 -4.373 -0.257 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 13.820 10.705 4.325 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 1.374 -6.876 2.218 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 1.461 -0.457 1.323 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 -3.460 -2.012 -7.674 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 -1.912 7.380 3.262 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 10.206 1.971 3.895 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 -12.518 12.897 -1.210 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 24.979 1.987 -2.488 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 0.339 -1.139 1.718 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 -3.029 -6.147 -2.361 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 0.441 -1.731 1.856 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 -7.504 -2.155 -3.123 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 -12.579 12.168 -3.986 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 5.910 17.563 -0.388 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 -2.221 -0.010 0.322 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 -13.588 -20.324 7.920 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 -16.874 8.688 -15.699 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 4.796 -0.759 7.388 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 3.352 -5.807 3.679 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 5.328 -44.001 -5.888 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 2.376 -2.105 -1.324 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 0.771 -15.688 1.828 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 -0.752 1.296 -1.629 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 -5.403 -0.630 2.496 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 -17.317 9.705 2.321 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 2.658 -3.349 23.518 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 0.044 -7.252 -1.411 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 13.173 -9.973 22.774 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 3.141 -11.903 -1.912 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 1.736 1.120 2.447 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 4.966 12.207 -4.737 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 3.229 4.396 15.197 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 0.337 0.446 -1.839 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 -3.507 18.492 -8.514 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 20.964 3.301 -14.410 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 0.203 5.412 5.436 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 13.470 9.412 20.190 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 -10.772 3.474 -5.520 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 -0.788 -2.331 5.130 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 13.500 16.402 -4.248 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 -13.478 9.303 1.466 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 6.883 -9.756 -1.145 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 4.413 -9.769 -3.853 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 9.395 -9.868 2.544 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 -5.032 -1.672 0.600 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 -6.010 -17.344 -5.284 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 -9.018 12.111 16.762 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 0.232 0.626 5.180 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 4.675 3.943 -3.138 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 2.466 0.125 8.675 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 -1.979 -2.225 -1.358 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 8.728 14.654 -23.783 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 -1.577 -2.306 -2.597 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 0.169 -1.980 1.568 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 -14.630 4.744 -11.124 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 -17.318 12.766 20.958 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 -2.696 0.920 -2.493 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 -21.412 16.768 -21.350 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 -10.315 -5.165 -1.496 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 -4.781 -0.987 6.653 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 -3.139 -3.047 3.785 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 -7.033 3.837 1.336 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 -3.148 0.528 -3.630 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 3.234 3.693 -5.817 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 -4.778 5.599 4.072 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 0.033 1.777 -2.733 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 -5.032 -8.318 -3.083 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 -5.888 2.378 7.979 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 1.252 1.739 -7.135 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 -0.439 0.584 -8.534 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 -6.484 14.997 -16.757 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 -0.222 0.756 -1.575 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 10.144 -23.865 5.035 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 -3.683 15.865 14.113 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 1.881 4.095 5.900 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 22.732 2.129 -14.172 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 10.788 6.040 0.829 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 -6.061 5.648 -1.369 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 -15.428 3.942 -25.915 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 -5.970 -18.633 4.374 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 2.833 8.884 -0.418 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 -23.195 15.133 5.100 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 21.139 -11.688 11.208 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 -8.447 1.814 -0.701 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 -4.805 6.523 6.464 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 -6.546 2.662 -2.864 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 1.097 3.261 0.210 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 6.301 -2.715 8.317 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 2.618 1.672 2.448 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 3.661 -3.131 1.771 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 0.355 0.046 4.868 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 11.387 -13.111 -6.048 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 -8.411 -4.006 -4.472 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 -5.334 10.407 -16.103 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 10.467 -7.276 12.554 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 -2.111 3.122 2.609 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 -1.906 4.819 3.565 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 3.153 32.684 26.000 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 -3.360 2.025 -3.601 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 -19.166 8.667 -19.413 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 -9.962 -2.144 5.599 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 4.008 6.627 -4.477 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 21.546 4.402 1.945 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 3.593 -10.612 -11.066 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 -0.989 -1.614 4.395 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 14.456 8.642 5.880 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 -4.402 23.504 -12.523 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 8.299 -1.229 -1.579 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 12.186 3.151 -7.313 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 4.538 0.946 -8.393 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 1.093 -1.963 -5.127 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 -0.410 4.631 -7.035 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 1.274 -0.530 -3.711 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 -1.844 -6.102 3.465 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 -18.467 7.175 -23.822 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 -0.791 -6.013 1.021 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 -4.484 0.984 1.921 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 -4.294 18.374 5.701 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 -4.351 38.830 9.645 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 4.561 -3.441 -4.205 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 4.339 7.231 -4.741 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 0.999 4.186 -10.066 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 2.125 -8.425 -10.234 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 12.209 -0.068 -0.226 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 1.273 -27.348 -8.644 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 4.558 0.085 -1.637 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 9.551 1.617 -2.872 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 20.367 7.666 -5.218 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 -4.955 6.420 1.614 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 -8.985 1.589 5.482 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 2.486 5.843 -14.227 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 2.813 -2.393 -1.046 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 16.861 -13.979 23.371 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 6.338 -6.855 -0.452 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 -4.784 -4.333 9.444 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 -0.082 -17.626 14.223 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 -15.385 -5.278 7.108 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 0.094 -1.436 -1.168 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 1.280 -7.425 9.942 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 1.995 15.281 1.504 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 1.563 -2.987 1.299 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 -32.844 3.412 8.309 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 3.189 -6.111 -1.187 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 -2.219 4.876 -5.531 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 11.208 2.951 15.934 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 -2.308 -3.952 -5.497 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 3.161 -1.810 8.463 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 -20.581 -6.453 5.105 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 8.621 1.761 9.051 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 -5.267 1.730 6.707 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 7.758 1.197 0.647 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 -6.625 4.528 -14.581 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 -1.146 -2.582 -0.035 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 8.699 4.207 -1.241 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 2.635 -1.549 -5.134 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 3.096 5.335 3.956 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 17.042 -0.296 -12.948 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 16.317 -1.063 -0.871 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 2.456 2.221 -1.339 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 24.150 -2.901 -10.161 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 -6.003 -16.815 2.074 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 -0.178 -4.115 2.849 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 16.501 -13.792 -0.811 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 -9.641 -24.236 15.309 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 -0.128 -0.584 -1.739 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 8.552 -0.992 15.681 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 -17.950 29.567 3.020 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 3.000 0.457 6.086 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 11.793 -7.787 14.717 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 3.523 -0.585 -8.833 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 -4.933 4.757 2.076 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 -14.566 -5.975 -16.001 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 9.167 6.469 12.390 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 -3.835 -0.914 4.115 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 0.285 -8.820 8.249 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 -11.328 18.010 -0.735 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 0.430 0.330 -0.617 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 -0.761 1.426 1.646 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 -13.692 2.835 -0.664 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 7.071 2.256 1.284 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 24.654 11.389 6.933 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 22.236 -20.232 -6.558 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 7.864 -2.220 5.231 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 7.947 -12.437 5.706 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 -1.340 19.614 5.026 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 -5.596 -6.181 -2.466 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 -0.945 -16.191 5.258 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 24.197 -8.502 5.949 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 -2.912 0.777 1.282 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 -0.786 19.191 14.029 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 -3.669 4.027 4.057 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 -13.069 -2.749 6.155 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 -20.602 -7.052 9.222 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 -1.729 -1.298 2.560 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 1.875 -3.527 3.506 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 16.669 -35.784 -1.475 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 19.376 -1.675 -22.760 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 -4.418 -3.571 -1.913 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 -6.441 -10.043 0.175 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 -10.076 -11.289 -1.526 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 -2.119 -0.743 1.149 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 -11.397 -19.201 -3.959 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 3.935 15.579 -15.006 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 1.587 3.855 5.054 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 17.710 -13.470 -23.371 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 -13.650 3.129 13.505 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 1.432 -5.198 -2.969 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 16.011 -12.401 -20.541 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 8.398 17.745 1.330 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 -0.849 3.335 0.405 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 -17.888 4.018 12.233 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 -11.106 18.517 5.426 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 -3.139 -6.075 -3.923 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 17.756 15.858 4.730 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 -12.777 4.781 -22.017 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 4.987 -2.649 3.997 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 -7.550 3.665 11.224 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 -5.012 4.366 8.323 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 -1.496 -5.881 0.311 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 4.881 5.645 -7.179 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 11.357 -10.366 10.269 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 -0.483 -2.739 3.284 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 -0.826 7.103 -9.019 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 4.293 6.108 14.831 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 -1.409 -13.669 -0.778 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 4.872 -7.967 0.725 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 -10.428 -9.375 -2.103 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 1.644 -1.666 -1.686 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 4.336 -4.592 -2.364 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 -13.378 17.021 -6.715 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 -5.395 -6.304 3.058 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 -2.182 4.897 7.344 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 -0.750 -13.786 11.970 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 -2.480 1.080 -8.229 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 -8.518 -1.853 3.384 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 -7.434 5.679 -18.607 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 -1.134 -2.390 0.475 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 -21.961 -2.876 -10.844 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 0.840 24.372 1.336 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 1.091 -2.745 -3.762 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 -8.728 -6.691 8.132 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 8.975 -10.825 -3.817 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 1.038 0.204 -6.637 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 -0.465 0.404 -25.351 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 12.735 -11.396 -0.392 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 1.366 -2.044 3.290 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 2.415 13.489 -3.682 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 2.009 18.532 -2.380 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 5.492 2.313 1.112 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 -23.761 17.549 6.845 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 3.279 -4.944 23.606 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 6.155 -9.542 1.060 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 5.831 -10.383 2.189 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 9.522 -5.689 0.838 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 -1.234 -5.185 3.558 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 -14.961 -26.092 2.194 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 -14.078 -4.123 6.756 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 3.943 2.731 -7.779 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 13.857 -7.149 -20.310 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 4.687 16.435 13.270 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 -0.745 0.337 1.044 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 -8.878 0.974 -11.600 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 -23.972 13.405 -14.581 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 -0.154 0.851 -7.050 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 -10.747 18.055 3.384 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 -8.584 21.504 -3.737 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 -0.707 0.835 -0.144 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 -4.939 22.326 16.672 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 20.281 -10.403 -6.460 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 -9.170 4.382 -5.458 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 -11.766 7.669 -6.668 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 0.253 -3.871 -1.526 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 8.605 -2.596 -3.841 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 11.158 17.077 -10.727 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 18.850 -3.166 15.320 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 0.872 -1.024 0.426 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 -11.759 -2.829 1.752 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 8.553 8.474 0.277 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 -1.878 2.391 1.470 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 4.649 -14.181 5.508 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 -21.251 -5.714 1.722 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 4.642 2.488 2.301 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 5.996 2.768 -9.795 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 -5.353 10.010 4.379 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 1.231 0.328 3.094 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 7.436 -3.338 24.391 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 -5.059 4.482 -19.546 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 -2.204 6.812 0.869 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 -15.441 10.377 26.889 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 18.210 -11.863 4.299 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 0.469 -0.229 3.539 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 -8.719 -8.263 -22.929 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 11.572 12.365 -1.139 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 0.308 -5.195 -0.815 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 -8.940 3.696 3.273 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 13.601 -12.842 -24.362 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 -0.127 -0.228 4.862 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 -20.011 3.192 10.989 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 12.757 10.081 -8.907 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 0.325 -1.024 -4.621 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 9.737 7.758 -13.493 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 -12.670 -1.770 6.944 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 1.735 -2.472 -1.204 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 10.070 10.988 14.087 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 -17.721 -2.674 5.786 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 -0.512 10.313 -4.462 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 -9.995 23.623 9.940 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 -5.166 5.335 9.987 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 -4.859 6.735 0.895 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 -10.404 -0.267 2.171 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 -3.478 10.251 10.066 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 -1.126 0.230 -2.583 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 -7.795 -5.028 -12.022 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 17.105 13.027 -3.852 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 3.603 0.298 5.556 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 27.036 -3.141 19.089 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 -8.412 15.908 -10.404 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 0.942 1.534 -3.857 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 8.076 8.849 14.838 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 -1.406 -21.314 2.533 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 -1.572 1.684 -0.104 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 -3.542 3.609 3.537 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 -0.287 4.573 -7.710 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 -4.630 2.235 -4.873 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 -4.901 3.513 13.182 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 13.266 -1.049 -1.839 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 3.057 10.495 -5.493 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 -1.813 -2.168 3.662 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 1.664 7.801 0.189 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 0.598 6.729 -0.782 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 -2.392 -5.328 11.815 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 13.413 16.784 11.698 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 -2.800 2.445 -5.903 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 -3.745 6.291 -10.688 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 2.115 6.589 15.065 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 -0.330 -4.013 -3.394 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 -3.743 2.852 -1.872 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 1.507 -7.139 10.688 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 -0.025 2.111 2.694 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 -9.945 2.118 6.786 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 -7.277 -8.255 -3.575 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 0.011 -4.711 -8.407 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 -13.147 13.503 9.566 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 1.936 -22.532 23.889 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 -0.932 -0.812 0.716 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 7.682 -4.715 3.716 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 -5.210 -7.539 7.880 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 -0.538 2.367 -4.100 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 -7.646 -18.071 -2.805 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 11.142 23.980 3.145 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 -0.853 1.473 -2.073 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 -3.065 -3.506 -1.154 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 27.698 0.338 51.848 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 1.088 4.078 1.080 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 8.862 5.887 20.437 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 -11.752 20.644 -0.561 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 -5.202 0.236 4.167 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 -0.484 16.029 -9.318 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 -24.004 2.385 -4.362 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 -4.678 -2.089 -3.420 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 -49.255 41.479 -21.396 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 35.247 -11.995 -23.654 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 3.694 -3.263 -2.780 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 1.205 -4.641 -4.558 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 6.984 -7.372 8.802 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 -9.029 10.871 0.480 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 -4.583 -15.739 2.580 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 -8.102 -12.192 2.041 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 -0.121 -0.800 3.119 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 -5.442 18.138 -14.511 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 18.676 -17.744 8.334 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 -5.281 -6.280 0.592 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 -5.274 9.101 -19.268 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 -1.151 19.513 11.770 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 2.540 -5.802 -9.125 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 -9.421 5.346 -7.220 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 -19.452 18.983 -1.382 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 -0.997 7.849 -1.860 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 -3.079 33.444 2.603 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 -21.783 -9.048 10.281 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 -1.120 0.054 2.344 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 4.445 2.294 5.064 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 -2.525 -7.479 -0.579 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 -1.019 -1.103 1.517 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 19.359 2.793 -9.705 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 -9.814 15.178 -1.669 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 1.381 -1.619 3.417 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 -5.616 2.428 1.859 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 8.392 -7.753 -7.957 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 1.584 0.347 -4.507 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 2.963 -10.882 8.622 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 -12.893 -4.923 -13.069 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 1.732 -1.120 -9.028 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 -5.953 -0.887 -9.452 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 32.985 -1.485 -11.574 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 3.467 -6.673 -8.651 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 0.906 5.066 -6.732 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 -1.961 -7.544 4.248 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 -0.287 -2.151 0.106 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 -1.039 -4.698 -12.348 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 -5.339 9.457 2.140 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 5.897 4.818 -6.984 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 12.694 7.104 27.401 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 10.210 5.705 16.961 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 1.448 -0.153 1.442 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 -0.752 -10.946 -5.031 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 4.346 1.870 -0.215 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 4.891 -6.261 -1.140 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 6.266 8.174 -8.495 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 0.021 -9.624 7.456 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 4.032 1.469 -2.458 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 -1.571 -1.078 6.709 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 -17.932 10.932 -5.256 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 -4.222 5.831 4.997 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 10.302 13.504 -2.426 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 -1.968 4.579 9.640 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 0.358 -2.501 -0.250 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 9.186 6.184 6.285 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 -2.349 -3.115 3.545 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 -4.431 2.730 3.677 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 -6.292 18.050 10.842 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 13.591 10.799 -7.049 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 1.995 -3.573 -5.017 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 -13.576 -12.714 -10.019 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 8.775 13.544 1.618 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 1.117 1.526 -3.209 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 -20.356 -4.889 4.011 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 4.371 16.412 14.800 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 -6.648 -2.518 4.455 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 10.854 -0.651 -9.209 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 9.282 0.766 3.341 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 8.273 4.633 2.758 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 -5.172 2.396 13.886 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 2.386 6.395 2.022 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 -4.084 -8.923 -7.683 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 -5.402 0.079 9.245 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 4.302 3.158 -13.173 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 -2.202 -2.709 1.660 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 10.596 9.153 -2.882 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 -18.869 2.928 -5.755 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 1.191 -4.292 -3.235 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 4.271 -15.511 -20.207 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 6.841 -5.028 -5.499 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 5.960 -4.636 -5.281 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 25.914 0.764 11.440 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 25.775 7.321 11.698 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 -3.208 0.041 5.129 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 3.293 2.099 19.876 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 -3.344 4.521 33.347 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 5.958 1.335 2.886 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 11.686 0.572 -3.605 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 -4.671 9.396 34.608 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 -6.257 3.152 -0.196 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 -4.243 28.933 3.483 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 -12.797 -3.413 -5.160 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 -5.836 1.251 -2.763 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 1.027 -5.926 -7.891 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 1.036 -5.471 -7.794 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 -1.729 -8.342 -2.939 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 -1.967 3.273 -22.550 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 18.857 -14.060 6.167 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 5.913 4.665 -2.579 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 14.194 21.524 5.342 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 -8.011 7.290 -34.521 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 -2.950 -0.009 4.206 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 11.189 7.607 8.556 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 -19.269 -5.392 9.439 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 -1.903 1.649 -16.784 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 6.286 7.331 -12.716 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 1.206 -14.609 20.618 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 -1.097 3.017 6.114 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 -7.264 -1.750 7.709 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 -7.027 -6.746 18.114 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 -0.074 10.940 -6.656 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 -17.815 -36.654 14.978 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 2.985 33.205 11.770 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 2.541 -0.628 2.897 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 24.413 0.583 -3.298 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 16.932 10.785 5.570 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 7.999 0.357 -5.616 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 16.447 5.059 -0.842 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 -21.434 -3.372 5.649 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 7.968 5.563 -1.424 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 -9.548 -1.205 -18.675 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 -15.418 -1.651 2.246 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 1.005 0.700 5.020 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 9.851 -7.380 9.459 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 14.240 -10.969 -11.885 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 -2.954 -3.328 1.878 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 -14.871 7.295 -1.562 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 8.786 -2.050 -2.662 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 -0.676 -4.773 4.789 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 -6.321 16.860 -32.031 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 -8.499 -3.430 -15.063 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 -5.853 -5.137 -2.282 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 -0.138 -1.982 -3.392 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 0.354 -14.622 -16.883 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 3.927 -0.630 -2.780 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 -6.888 -2.471 -3.551 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 -9.389 8.406 -1.332 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 -0.402 -4.038 5.199 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 -7.891 -9.035 2.832 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 -6.546 -7.815 3.232 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 6.055 0.468 -2.283 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 15.103 -22.483 6.595 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 -4.122 32.971 -1.869 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 -0.722 -0.367 -0.697 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 -4.814 17.093 -23.275 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 -2.796 6.450 -9.890 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 1.430 -1.744 -0.871 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 9.723 -6.145 14.606 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 -10.405 13.721 -11.673 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 -1.282 -3.174 3.176 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 -10.305 14.070 11.996 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 22.693 -37.455 0.987 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 -5.216 -0.114 -2.100 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 12.128 -6.806 9.309 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 -12.588 -3.343 2.793 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 -3.036 1.762 -1.937 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 8.027 -6.912 12.311 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 -2.517 -10.985 -9.276 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 -7.620 -5.112 4.142 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 38.414 6.211 -3.325 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 7.316 14.357 34.778 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 3.604 -4.211 -0.447 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 -1.759 12.267 8.410 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 -28.678 17.095 5.898 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 2.953 2.533 -3.476 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 5.372 -0.374 8.856 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 -2.399 14.991 -3.410 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 3.889 1.106 -0.945 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 -0.034 4.148 0.381 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 0.715 1.553 7.724 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 -5.251 -1.650 -0.221 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 -10.021 -9.190 6.966 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 -1.095 -7.352 1.575 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 -6.440 2.204 5.904 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 -16.080 22.645 10.465 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 -7.879 12.215 9.156 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 -3.186 1.974 1.867 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 5.376 6.908 11.651 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 -2.499 0.830 1.067 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 -2.799 -0.472 6.083 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 -9.384 11.306 10.435 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 0.532 -10.352 3.250 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 -1.112 -6.692 -0.816 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 4.621 -21.781 12.173 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 0.327 -8.866 -19.417 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 -0.484 -0.300 0.285 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 -12.921 -1.953 2.933 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 6.607 1.579 -13.618 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 8.596 -1.360 -0.849 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 16.963 5.913 -11.069 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 16.535 -8.781 8.642 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 -0.488 1.224 -3.111 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 10.210 -3.385 -2.901 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 6.048 2.583 -19.632 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 8.890 4.775 0.072 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 8.449 6.180 -1.245 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 10.057 17.110 -7.989 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 4.938 1.791 0.181 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 13.635 7.453 2.373 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 11.326 8.347 5.079 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 -3.862 -3.335 0.584 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 5.055 16.128 -5.092 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 4.771 -13.271 19.939 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 2.897 0.666 0.912 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 5.494 -1.684 2.220 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 -5.041 -26.216 -19.583 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 3.244 4.086 3.331 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 -10.327 9.416 5.459 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 9.136 5.990 -11.148 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 0.919 -0.364 1.289 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 -6.986 -4.971 5.102 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 -2.513 -1.476 2.154 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 -7.133 -1.917 4.894 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 18.174 13.220 0.069 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 -5.120 6.454 -1.465 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 -2.874 -0.656 -2.800 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 -11.439 -6.874 16.929 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 5.880 5.995 -3.868 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 2.273 -6.646 -2.149 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 5.018 1.745 20.212 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 6.158 8.746 6.526 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 0.805 -0.455 -2.766 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 -17.443 1.487 -16.168 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 -7.017 6.777 -1.475 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 -1.501 -3.809 -5.329 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 -3.694 10.159 -22.117 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 23.231 -13.896 -6.662 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 -2.883 0.078 2.482 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 -2.888 1.722 10.929 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 -1.140 2.510 -0.777 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 -0.455 2.424 7.097 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 -19.297 -5.073 -3.295 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 5.610 10.046 -1.011 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 -2.370 0.486 -2.638 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -13.576 -10.035 -1.316 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 -6.009 12.163 2.875 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 -3.228 3.117 -4.319 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 10.074 3.855 -5.973 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 -7.226 -2.939 -7.158 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 -3.299 2.303 0.864 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 -11.852 18.435 1.514 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 -6.360 -11.039 -8.413 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 4.358 -0.091 -1.882 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 -10.898 -5.626 -14.431 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 10.039 12.336 -11.866 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 0.659 -1.450 -2.604 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 -16.621 -1.932 3.945 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 11.637 -1.559 13.950 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 2.380 -3.519 -0.152 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 -6.694 -18.921 -0.969 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 18.842 7.115 -0.816 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 0.267 3.880 -9.421 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 -13.468 -1.226 6.257 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 -13.888 -2.016 18.031 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 5.077 3.570 -2.575 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 0.219 9.827 -7.312 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 -8.347 -14.011 -5.670 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 2.657 4.502 0.151 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 -1.397 11.567 -12.062 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 20.921 -7.003 5.945 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 -6.561 -0.304 4.771 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 -5.756 20.052 11.488 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 7.340 31.733 8.222 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 1.719 4.687 5.074 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 -2.617 2.873 -15.616 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 17.374 18.078 -7.964 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 -5.332 1.192 -1.681 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 -7.886 -6.289 -7.323 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 -5.475 -2.146 -6.258 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 -1.754 4.529 -3.559 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 -6.298 22.023 9.669 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 -0.566 10.859 11.953 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 -4.454 3.041 0.737 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 -1.489 3.399 -3.642 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 -3.178 5.534 3.973 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 4.124 -2.651 -6.395 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 -14.949 5.301 19.656 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 6.089 -2.458 -9.138 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 2.107 4.724 3.119 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 27.570 -14.331 18.844 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 -22.607 -19.057 -6.355 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 -2.102 -1.718 4.353 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 -1.274 1.958 13.647 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 -9.519 -1.597 21.519 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 1.091 -5.939 -7.192 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 4.078 -6.528 8.103 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 1.869 6.500 2.877 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 2.020 -4.243 1.992 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 -4.851 -3.842 -17.287 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 22.665 -1.540 -11.982 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 2.366 3.790 -2.173 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 1.114 -6.237 -21.768 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 3.422 -10.361 14.404 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 0.656 -0.521 7.052 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 16.879 17.922 4.264 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 0.201 7.142 -15.250 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 4.689 -4.351 1.873 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 10.315 -1.240 7.047 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 4.171 -2.508 -0.878 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 0.147 2.864 0.003 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 13.337 -4.136 -3.458 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 1.151 22.384 17.988 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 -1.510 -3.771 -3.923 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 -6.787 2.964 -0.810 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 1.360 9.202 1.492 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 1.169 -3.687 4.333 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 0.685 3.352 11.133 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 2.304 -22.390 -15.312 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 1.822 -9.295 -0.816 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 1.788 -7.405 0.271 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 3.582 -13.704 -4.680 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 4.468 -1.017 -0.361 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 -24.302 4.150 -2.028 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 0.880 -19.117 14.680 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 -0.087 -1.096 2.004 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 9.485 -22.357 4.353 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 -22.882 -4.147 4.256 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 1.461 -5.206 -8.727 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 -19.711 12.873 -21.516 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 -2.919 -5.459 4.918 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 -1.312 -2.068 2.332 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 -16.765 -17.006 21.777 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 -7.805 -9.522 11.960 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 5.130 -0.276 1.776 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 -21.627 -29.022 -31.905 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 -20.683 -1.883 -12.552 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 -7.966 -4.491 -3.498 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 -5.978 2.245 -1.305 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 -4.489 0.334 1.285 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 0.347 1.749 12.277 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 -25.328 -36.927 5.035 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 12.456 1.669 -30.087 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 1.375 -5.028 -6.102 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 2.402 2.345 8.088 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 6.293 -4.048 -11.607 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 3.332 -4.858 -3.851 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 -22.485 -2.406 -8.767 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 3.702 -0.681 -5.029 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 -2.298 -0.535 1.632 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 -4.508 -6.070 3.177 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 0.649 9.178 2.044 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 -3.396 2.654 1.066 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 -1.626 8.304 -22.258 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 -5.697 5.238 -1.777 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 3.300 -3.888 1.593 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 13.478 -12.834 -0.169 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 0.026 -1.451 -10.734 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 -2.014 0.462 -2.744 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 0.412 -23.262 -2.655 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 20.501 8.214 -4.507 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 7.349 -6.558 4.192 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 9.998 -8.399 5.735 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 -40.881 12.748 4.412 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 -0.933 1.879 -0.100 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 -16.723 -13.325 -2.413 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 3.158 6.166 0.927 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 6.151 -3.404 -0.766 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 -1.976 -7.294 14.736 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 2.215 0.065 10.227 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 -1.415 -1.553 -3.222 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 29.349 -4.928 -5.241 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 -34.517 -4.956 10.354 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 0.699 -4.853 -1.587 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 18.614 -0.831 14.646 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 -1.622 -4.479 -17.856 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 10.286 1.332 -1.981 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 10.472 -0.576 1.562 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 20.236 -1.892 -4.111 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 3.486 3.609 6.029 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 3.719 7.206 0.788 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 1.961 7.309 0.715 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 -9.370 0.530 -2.718 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 1.243 -6.190 -2.875 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 -4.969 4.994 1.358 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 -2.009 1.669 -6.083 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 -7.134 -3.298 -11.432 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 -11.483 10.956 1.854 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 -0.224 -2.020 4.917 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 0.181 -8.363 8.345 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 -0.085 -5.289 6.692 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 1.352 1.919 1.975 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 -10.788 3.788 -7.907 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 15.114 -1.155 6.012 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 0.281 3.538 0.803 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 -6.452 5.800 5.460 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 -6.269 -3.577 0.478 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 1.951 2.621 -2.993 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 22.743 25.663 4.565 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 7.883 -3.433 9.027 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 3.961 -0.528 -1.105 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 -24.929 -5.129 5.088 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 23.706 0.194 -0.865 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 -2.389 3.781 -4.144 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 -4.170 -10.251 9.350 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 12.978 9.264 -4.908 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 1.205 0.742 -0.708 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 1.507 -2.584 -2.665 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 3.328 5.663 3.093 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 -3.573 5.189 -8.058 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 16.493 -0.248 3.608 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 -10.680 4.143 1.896 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 3.317 3.165 3.522 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 3.398 9.768 31.935 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 -12.417 9.030 -5.816 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 -4.210 0.128 -5.151 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 7.760 -3.156 2.566 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 -3.544 -1.351 3.065 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 0.736 1.663 -2.916 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 -10.306 -20.504 -1.423 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 -3.278 -15.706 -16.995 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 1.171 -5.156 5.644 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 10.437 -16.835 14.320 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 10.776 4.705 3.631 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 4.689 1.852 1.315 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 -21.631 -7.109 32.461 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 23.310 13.098 -4.488 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 -3.575 -5.528 -5.833 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 -16.423 3.403 0.686 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 4.595 14.680 2.220 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 -0.606 -5.206 7.060 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 -12.455 -22.722 0.264 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 -3.463 9.383 -8.723 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 2.656 4.753 4.266 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 -13.287 -18.389 -2.133 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 3.569 9.067 17.178 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 0.422 -5.141 -4.074 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 3.518 -2.008 -1.844 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 -0.082 4.649 18.090 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 6.203 6.160 1.970 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 -0.025 -30.765 -9.666 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 0.990 -23.945 -9.320 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 -0.138 -2.047 2.265 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 -30.192 -21.601 -8.086 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 -2.203 2.861 0.125 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 -5.041 1.333 -1.367 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 2.252 5.725 -6.634 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 -3.937 0.140 -4.523 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 -0.265 -5.956 1.601 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 3.306 0.431 1.000 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 -7.817 -14.924 -3.774 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 -1.092 5.890 5.094 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 -2.268 3.432 4.316 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 3.728 2.611 13.672 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 2.715 1.466 -1.101 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 -1.872 12.166 7.657 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 5.335 19.881 19.536 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 -0.081 1.256 3.305 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 -0.134 -0.032 2.384 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 4.115 -1.222 3.437 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 1.193 -0.511 -0.629 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 4.235 11.557 -5.735 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 16.487 -4.994 -12.622 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 -1.236 -2.777 -3.046 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 -12.562 -7.786 13.213 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 14.427 11.039 1.391 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 6.631 0.223 3.063 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 -5.642 1.704 3.567 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 -0.757 2.843 4.964 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 -4.922 4.233 3.777 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 -17.071 41.549 -8.498 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 27.593 -1.230 -18.985 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 4.240 -2.838 1.257 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 1.396 5.873 2.219 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 5.651 0.744 -5.840 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 0.457 3.551 2.490 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 -7.517 3.871 -21.855 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 1.204 -3.103 0.412 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 -3.775 -1.955 0.194 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 -0.683 -7.068 5.069 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 -9.199 -10.065 13.187 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 -1.987 -3.269 3.576 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 0.212 -14.032 -1.968 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 -3.569 -3.767 6.965 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 2.681 -3.246 0.227 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 0.621 -0.658 -2.154 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 24.375 -15.012 5.335 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 1.599 0.247 -3.712 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 5.910 3.601 0.882 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 25.204 -4.652 6.132 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 -2.610 4.881 -1.561 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 13.086 5.886 10.648 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 3.600 -1.089 -8.904 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 -2.672 2.702 -1.656 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 -13.830 -11.476 -18.793 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 -2.598 0.219 -4.702 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 -5.643 -3.897 -2.237 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 -3.431 -10.175 5.892 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 0.787 3.207 0.394 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 6.080 -2.619 -1.317 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 -12.593 6.973 7.820 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 -3.220 -2.547 -7.795 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 1.890 -0.570 1.265 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 -13.629 8.962 -1.264 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 5.658 -7.220 -1.883 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 3.616 1.517 6.960 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 12.064 8.006 8.788 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 -14.701 16.951 -0.567 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 -2.729 -8.454 2.454 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 -7.075 -11.271 -0.028 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 16.232 -1.615 8.488 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 -5.150 -4.173 -4.782 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 -13.172 -12.364 5.565 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 -38.433 14.641 -1.869 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 -1.386 0.627 6.240 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 0.464 -3.739 8.305 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 -7.041 3.424 6.544 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 0.399 -3.230 5.060 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 3.838 1.192 2.747 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 -0.355 -7.385 0.384 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 -0.880 2.952 1.371 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 -18.971 -17.408 11.646 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 10.984 15.010 18.607 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 2.505 -6.495 2.058 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 -10.725 -21.983 -4.383 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 6.952 -0.229 4.940 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 -0.764 3.491 5.712 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 -10.690 -15.507 -2.635 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 -0.455 17.884 9.274 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 3.240 -4.888 3.351 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 15.047 -5.901 -9.683 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 -7.659 -16.221 11.447 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 0.153 -1.792 1.763 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 1.802 -9.073 -8.400 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 2.131 -18.415 19.589 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 2.404 -1.889 -1.538 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 13.409 -5.240 -2.941 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 5.633 0.384 -17.638 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 -0.584 -2.209 -0.945 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 5.905 -4.799 16.161 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 2.333 -0.479 -8.426 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 1.048 5.385 -2.590 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 -3.416 6.624 5.684 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 17.001 9.418 -18.891 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 1.987 -4.013 0.630 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 -9.014 -12.912 23.171 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 6.418 7.001 -5.176 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 -2.517 -2.098 -0.006 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -7.582 2.069 -7.149 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 9.351 12.332 -5.708 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 4.660 2.311 5.811 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 2.397 2.882 12.348 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 -0.883 1.389 1.411 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 -0.416 3.499 -1.598 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 9.990 -40.268 17.736 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 -38.671 14.942 8.974 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 -2.829 1.890 -3.494 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 -8.472 -2.684 -8.637 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 4.528 7.074 -9.673 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 0.182 3.566 1.522 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 -12.895 1.936 -9.530 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 9.843 -1.274 -5.056 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 4.069 -2.495 -1.829 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 4.727 -2.957 -2.714 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 3.689 -10.759 7.951 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 -1.046 2.419 -1.272 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 16.188 31.033 25.253 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 1.093 12.655 16.851 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 -5.556 -0.327 0.603 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 -6.476 -6.187 -4.987 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 -5.028 1.067 1.445 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 1.209 -2.840 -0.573 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 3.292 -11.371 6.429 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 3.690 0.078 -9.959 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 -2.844 -1.254 -3.277 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 -25.872 4.522 -1.767 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 -3.839 11.167 -15.466 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 5.422 3.054 -2.789 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 10.796 5.990 6.606 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 -1.320 1.030 -1.248 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 -5.837 0.043 3.700 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 7.848 2.987 5.138 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 -5.715 0.356 16.532 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 -0.537 1.205 -1.321 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 1.254 -4.029 3.425 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 -0.463 2.087 0.249 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 1.805 1.753 0.191 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 -0.217 0.570 -5.581 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 -14.010 -5.755 -10.833 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 2.350 -1.221 7.914 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 26.294 2.094 10.828 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 1.374 17.412 4.678 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 -8.316 -0.165 1.020 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 -14.993 -4.645 3.820 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 -2.314 -4.398 4.975 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 3.872 2.405 3.894 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 8.842 -5.743 15.237 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 7.075 -1.263 7.130 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 1.081 2.795 -0.084 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 -2.269 6.832 -9.529 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 11.979 8.510 3.558 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 -0.037 1.392 -0.150 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 22.619 -3.109 -1.825 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 20.045 -12.824 -10.520 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 -0.925 -2.036 2.634 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 0.328 -2.151 3.089 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 8.832 6.677 2.921 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 0.350 3.664 -3.456 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 -13.286 -8.627 -12.682 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 8.692 28.225 -2.667 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 -2.843 -0.377 1.312 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 -4.099 13.660 3.189 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 -13.241 -5.762 -9.020 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 2.174 1.947 -2.086 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 8.336 -3.285 -13.398 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 4.403 4.731 -6.238 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 4.597 2.446 1.631 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 -2.128 -28.001 8.066 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 21.185 -7.239 -12.610 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 1.975 -4.056 -1.997 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 1.262 37.162 2.103 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 -2.067 -4.753 34.404 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 2.780 -2.617 1.711 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 -15.435 11.773 1.393 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 2.694 -3.780 1.937 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 -7.418 -0.879 -0.897 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 -13.963 7.546 -8.096 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 -11.996 -5.416 -21.284 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 0.594 -0.266 2.114 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 -2.675 -3.680 -8.891 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 2.725 4.833 13.814 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 4.636 -1.710 1.078 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 -15.458 -24.134 -11.044 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 -2.838 15.132 -7.592 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 5.103 -1.285 -1.278 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 -17.197 4.108 -0.862 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 12.765 -17.181 -5.358 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 -1.606 -4.266 -3.545 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 13.791 9.101 -1.600 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 1.725 15.992 -21.789 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 -1.221 -2.465 -5.412 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 -0.570 1.802 13.483 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 -5.866 -7.391 -5.582 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 6.987 1.329 0.987 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 -30.076 4.847 10.475 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 19.067 -9.225 8.224 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 0.021 5.230 1.385 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 -2.791 9.464 8.598 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 11.937 12.142 2.399 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 4.430 2.468 2.192 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 10.245 -4.031 -0.549 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 -11.177 -2.181 -4.150 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 4.484 6.696 -3.741 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 -22.502 -8.868 6.638 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 3.848 16.542 17.397 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 1.790 1.811 5.648 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 0.486 -1.443 14.140 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 -11.674 -7.422 14.225 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 -4.576 -1.675 -0.564 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 -5.840 4.375 -1.718 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 -6.871 -4.606 15.283 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 -4.359 -4.505 -1.992 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 -6.110 5.150 -10.786 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 -2.699 -9.766 -7.309 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 5.419 -2.874 0.136 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 2.471 -3.385 -8.120 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 -0.588 8.621 -10.314 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 -0.624 -0.664 -1.147 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 -1.232 -14.023 -0.663 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 1.446 -5.448 0.308 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 -10.546 -4.414 -1.012 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 8.195 -24.796 -1.482 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 -40.154 14.082 -6.768 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 -7.349 2.894 4.534 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 0.334 -1.455 -1.023 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 -28.264 0.869 -13.200 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 -1.050 3.710 -2.173 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 -1.392 3.493 1.375 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 -0.801 4.407 -4.311 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 -2.585 -10.244 2.275 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 -4.236 -7.433 2.248 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 -0.671 -2.018 -1.797 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 -1.966 0.269 1.985 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 -29.037 3.450 9.955 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 4.373 -4.841 -6.745 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 -2.535 -1.257 5.493 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 5.490 16.139 13.086 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 16.079 -9.790 4.508 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 3.715 7.642 5.490 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 10.978 5.278 9.037 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 11.512 18.952 0.114 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 3.007 1.074 2.296 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 0.124 -22.680 15.490 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 6.983 16.428 28.807 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 0.042 -5.422 -5.890 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 5.307 -5.614 -3.382 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 -0.918 -14.895 -3.635 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 -3.773 -1.808 -3.707 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 -5.600 -9.065 -4.246 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 -13.116 7.517 0.423 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 3.210 -0.027 -1.998 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 12.407 0.972 0.753 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 2.690 35.880 13.583 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 1.915 0.104 -2.449 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 3.343 6.603 -6.228 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 -10.743 -4.922 1.505 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 -3.478 2.822 -3.123 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 -3.730 1.960 -8.221 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 4.226 9.259 -2.627 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 2.002 -4.437 2.122 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 -10.787 -3.509 -17.248 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 -8.509 -3.586 25.115 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 -2.135 -3.235 -6.826 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 0.409 7.731 2.779 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 -6.261 -15.265 -15.400 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 -1.553 -8.509 0.344 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 13.536 -2.064 4.250 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 -23.641 -23.908 -7.319 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 1.510 1.593 2.201 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 3.271 -15.832 3.767 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 2.442 -6.792 2.957 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 -0.866 4.867 -7.149 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 -9.220 -5.317 -9.219 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 9.606 1.732 -1.789 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 4.608 -1.337 0.360 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 15.789 8.192 -9.539 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 13.441 8.577 -5.063 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 -2.960 1.641 -2.083 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 9.908 -21.641 -20.125 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 -9.719 -3.792 21.158 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 -1.532 -8.017 -13.522 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 -23.096 -20.114 -19.688 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 -20.733 0.644 8.212 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 4.745 -3.050 -3.255 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 8.273 -2.403 -9.771 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 13.743 -29.027 -13.767 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 1.497 3.842 -1.711 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 -14.577 12.826 -10.456 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 -10.287 9.177 -1.309 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 -0.517 1.001 0.078 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 18.202 -5.500 9.025 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 -11.055 3.274 6.601 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 3.946 0.036 0.250 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 16.496 2.600 2.388 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 -7.276 -1.857 -11.265 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 -1.897 2.630 9.154 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 -7.022 0.881 14.835 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 -0.271 -12.048 10.429 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 -2.253 0.816 -0.553 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 8.111 10.935 -8.824 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 17.413 13.475 9.341 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 -3.589 3.256 1.069 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 -24.090 5.991 -12.560 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 9.925 14.061 -8.241 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 0.421 5.631 10.699 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 4.097 -3.583 4.787 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 -9.957 4.579 2.660 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 0.329 -1.023 -4.439 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 8.617 -6.726 7.550 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 -5.989 11.302 0.853 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 0.215 1.333 5.955 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 -3.822 -3.527 10.425 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 8.536 -11.693 7.496 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 8.404 1.166 -3.939 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 -3.731 9.430 -5.435 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 -1.396 7.377 15.651 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 4.326 1.049 4.301 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 9.130 24.405 8.419 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 -2.408 -29.086 2.266 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 -0.885 -8.843 1.322 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 -15.771 -5.970 17.246 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 5.588 -5.834 5.604 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 -4.122 0.738 -0.161 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 -21.916 -23.193 -10.936 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 -16.974 21.054 19.057 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 -3.906 -2.336 7.784 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 0.428 -13.385 20.410 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 7.508 -13.926 1.192 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 -3.793 -0.534 -0.652 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 25.747 0.852 -6.431 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 37.078 -6.334 -3.770 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 1.602 -0.398 3.240 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 20.168 -1.487 8.305 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 -11.422 1.306 -6.445 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 -0.456 -2.499 -0.649 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 -3.870 -9.645 -9.562 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 3.276 20.610 -13.982 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 -1.467 4.661 5.830 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 -4.115 13.196 14.931 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 -0.823 -5.146 13.528 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 -5.621 -3.246 -1.623 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 -11.064 -9.305 7.905 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 -2.879 1.012 -0.900 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 0.460 -1.083 -2.750 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 -8.558 -11.878 -6.677 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 3.698 -2.422 2.913 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 -0.337 -1.712 -1.153 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 -22.794 -10.204 17.386 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 -0.269 -3.626 -2.842 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 1.439 -1.306 1.142 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 5.563 -4.925 5.168 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 -1.023 5.653 -0.390 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 5.211 0.200 -0.571 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 13.443 -3.696 -5.152 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 12.567 4.632 -21.234 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 2.144 -6.025 -3.164 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 -21.200 -6.017 14.335 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 4.638 9.307 -18.917 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 0.907 3.152 -5.588 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 -3.946 4.440 1.134 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 -18.258 10.056 -19.392 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 -9.562 1.962 -1.123 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 -10.126 6.695 11.120 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 0.850 10.981 -12.375 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 3.761 -7.397 -1.325 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 7.385 -2.992 -14.859 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 5.534 6.279 -2.714 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 6.792 -4.557 0.512 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 29.473 5.566 2.386 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 -1.879 -21.739 10.001 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 -0.304 2.532 -6.548 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 6.238 6.776 -24.377 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 -1.705 -0.589 -11.299 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 2.525 -1.541 3.809 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 1.600 -9.085 -7.832 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 -3.269 -20.939 -11.729 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 -0.417 0.131 1.450 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 14.426 -10.772 3.344 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 -18.191 9.532 -4.596 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 -0.277 -8.003 -1.202 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 -8.777 -20.452 -1.250 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 4.642 0.068 -8.674 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 0.550 0.954 4.135 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 -1.963 8.690 -18.760 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 -3.756 -1.074 -6.205 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 -2.136 -1.897 0.942 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 -13.443 -11.459 -17.692 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 -2.794 5.758 2.312 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 -4.701 -4.133 4.061 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 -10.739 -6.155 10.355 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 4.688 -5.087 -6.435 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 4.239 -5.119 -0.901 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 31.694 -1.085 11.894 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 12.989 -3.436 3.480 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 -2.506 4.852 1.001 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 11.428 -1.109 -10.074 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 19.759 11.523 9.693 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 0.417 -2.252 -2.731 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 11.874 5.711 7.510 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 -24.622 -12.464 -13.468 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 -1.049 8.713 0.015 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 -7.455 12.359 12.660 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 -0.251 -10.636 6.247 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 0.816 -1.506 -0.089 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 -0.835 7.321 -3.439 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 3.766 4.654 -1.508 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 1.848 -1.296 -8.596 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 0.395 13.841 -14.669 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 4.076 -4.764 -17.834 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 2.217 4.790 1.744 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 2.465 2.141 -2.704 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 14.315 3.597 -8.063 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 -3.957 4.953 1.300 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 -2.372 4.167 2.749 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 -12.249 13.838 -4.848 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 2.957 -0.167 4.397 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 7.567 17.472 -11.727 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 17.726 10.220 1.950 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 -3.043 6.428 -4.140 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 -3.992 8.732 -4.878 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 16.353 -11.294 8.011 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 1.939 7.270 -0.137 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 14.381 10.974 -18.537 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 -7.255 3.847 11.680 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 5.361 3.673 3.875 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 6.781 -0.777 9.821 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 -1.837 -4.746 15.994 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 9.176 1.464 -0.220 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 13.104 8.158 -5.797 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 7.865 25.011 10.789 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 -4.226 7.802 -0.405 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 -10.096 14.655 -4.980 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 -8.076 -1.874 -2.677 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 2.244 -1.026 4.280 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 -0.395 -5.633 12.710 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 1.532 -5.472 -0.233 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 -4.889 1.564 -2.448 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 -5.977 -27.710 17.575 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 16.374 -2.158 -3.467 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 -0.252 1.886 -2.837 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 -4.362 11.352 1.718 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 5.590 -11.859 -14.971 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 1.423 6.798 3.266 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 -1.857 1.931 -15.298 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 -10.568 16.649 -10.583 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 -1.422 3.197 1.702 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 -12.800 10.573 0.019 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 -13.888 10.109 -0.049 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 1.862 1.480 0.395 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 -6.375 -5.565 13.848 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 4.789 1.502 -15.091 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 0.596 -0.140 -0.383 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 -1.621 12.599 -23.746 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 -2.359 17.878 -10.324 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 4.022 -5.605 4.042 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 13.188 -23.481 7.024 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 8.174 1.540 -0.721 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 2.351 -1.481 2.935 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 -2.000 20.846 8.229 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 -14.066 38.071 -3.523 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 2.836 -8.416 0.026 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 5.645 -9.265 -19.947 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 1.757 -8.529 0.581 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 2.859 0.627 1.435 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 3.751 -6.145 -2.511 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 3.998 -8.392 -4.887 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 3.497 -4.204 0.204 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 -17.456 -20.122 9.725 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 16.157 4.100 -6.949 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 -2.083 4.746 0.904 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 -3.193 -0.117 13.159 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 2.772 9.067 -2.963 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 4.279 4.145 -5.188 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 6.412 -3.267 9.485 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 10.036 -0.085 -0.262 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 2.777 3.280 5.220 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 8.715 6.087 15.091 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 -9.682 13.989 -11.225 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 -7.258 4.722 9.070 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 -5.762 1.286 8.910 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 -17.148 35.785 6.801 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 8.807 -1.236 -0.804 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 -3.447 -6.818 20.580 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 0.687 -0.270 5.794 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 6.054 -1.729 -0.262 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 -9.254 -5.509 -15.883 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 3.605 0.431 16.577 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 -0.119 4.032 1.876 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 -11.677 -6.592 3.175 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 -7.631 -4.521 -12.626 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 3.191 -1.350 -2.288 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 11.266 9.111 -0.570 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 13.760 4.932 -2.520 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 -2.788 0.740 5.862 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 -11.638 14.448 8.328 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 -1.505 -5.267 15.636 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 1.783 -3.099 -4.177 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 6.198 -7.302 -15.993 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 2.790 -1.579 14.787 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 -4.291 3.519 -1.024 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 9.552 12.116 2.923 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 -13.761 -14.840 -2.339 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 -0.710 2.600 -1.016 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 -26.736 -20.187 -3.605 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 -6.011 8.860 -3.761 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 -2.322 -0.170 0.565 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 7.222 11.301 -3.790 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 -13.870 -12.840 2.889 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 3.152 -4.191 2.067 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 6.579 -5.953 -8.549 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 -4.257 5.221 20.325 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 -6.128 -7.551 -0.875 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 0.289 12.273 0.402 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 -24.544 -7.662 2.593 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 -0.236 4.550 4.035 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 -0.691 -9.295 -9.510 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 6.128 -0.653 -7.544 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 -4.469 0.916 4.058 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 -19.391 25.245 2.517 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 -5.305 20.405 1.738 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 -0.943 -1.749 -2.942 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 0.353 20.899 -12.635 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 9.408 1.148 5.147 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 -5.086 -1.431 -1.126 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 5.686 -3.932 -4.479 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 -8.955 -6.496 7.785 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 -0.525 -3.498 -6.213 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 0.857 -4.704 -1.389 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 4.080 3.790 -7.781 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 0.479 -0.139 -2.587 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 5.055 0.361 0.037 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 -2.019 -5.437 -1.724 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 -4.409 2.212 -1.121 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 -9.089 19.522 11.459 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 16.124 8.930 -6.819 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 -6.471 -9.643 1.735 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 -5.354 5.508 2.546 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 6.847 -20.658 12.143 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 -4.326 1.430 -5.136 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 -0.406 -0.787 -27.080 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 -5.806 13.757 -4.893 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 9.298 3.172 2.804 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 15.118 -3.020 17.860 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 -2.555 11.789 12.206 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 4.006 0.878 -0.746 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 15.864 -4.762 2.677 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 17.610 -7.538 4.779 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 -5.771 1.699 -1.819 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 -11.993 14.829 -0.744 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 -21.927 7.383 -5.440 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 -4.834 -4.364 -1.510 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 -17.481 -7.084 6.029 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 -12.326 -5.063 4.392 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 -1.696 0.091 -7.046 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 -3.566 -5.570 2.534 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 -10.714 6.673 -6.892 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 -2.317 7.893 -2.148 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 -0.328 -14.135 20.382 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 -4.473 5.572 -6.581 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 1.247 4.134 2.815 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 1.084 14.677 -11.339 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 14.899 -12.319 6.713 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 3.921 4.621 6.680 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 -4.929 31.315 23.080 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 -8.360 28.767 15.072 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 -2.930 -6.399 3.063 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 -4.344 -7.347 1.377 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 -3.922 -7.068 1.207 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 1.644 -1.696 1.408 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 25.390 7.808 -9.206 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 -2.693 9.275 1.817 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 -1.631 -6.349 0.920 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 -1.291 -5.987 0.912 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 7.156 -17.200 -7.722 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 1.091 2.832 1.179 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 3.454 0.878 3.920 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 4.376 -1.817 6.628 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 2.309 2.981 -0.220 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 -0.705 -0.737 11.187 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 0.457 5.226 -5.488 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 3.222 4.055 -5.046 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 4.418 3.080 -20.717 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 -16.236 -0.871 -6.749 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 -2.190 4.136 -7.969 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 -0.270 4.226 -6.669 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 -5.944 1.719 -3.991 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 4.793 1.473 2.592 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 -10.022 -15.403 20.565 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 13.299 13.748 -6.092 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 -9.265 1.016 -5.643 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 -1.701 1.635 -11.950 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 -18.568 20.796 0.068 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 0.524 0.258 0.965 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 -7.782 -3.033 -3.979 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 -3.345 -0.923 0.158 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 0.669 -1.779 0.972 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 -0.010 18.114 11.171 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 7.239 -3.629 -19.197 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 1.532 1.741 3.232 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 -8.646 7.718 -11.162 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 -0.731 11.473 8.710 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 1.324 3.114 5.149 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 -28.909 -22.983 -12.064 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 16.211 10.686 4.126 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 5.666 -5.174 4.681 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 -6.079 5.733 -30.444 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 -13.526 -1.252 11.640 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 -0.159 3.391 0.110 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 -7.448 -2.079 32.554 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 27.580 21.966 1.084 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 4.452 2.572 0.303 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 20.903 7.369 -9.057 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 5.992 10.166 -16.622 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 2.488 -0.086 -6.204 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 -0.662 18.579 -0.891 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 -3.889 26.545 -7.124 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 3.983 1.836 10.887 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 -17.050 1.230 7.805 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 11.185 24.294 -1.425 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 6.194 2.926 -4.199 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 0.096 -9.603 19.088 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 -7.204 20.862 -15.216 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 -0.778 2.242 -1.074 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 -14.704 14.095 3.219 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 -4.330 -1.010 -21.727 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 -1.027 -3.517 -5.377 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 -2.265 -31.630 -16.460 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 20.482 -3.855 19.427 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 4.606 5.194 4.344 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 26.721 -20.711 6.470 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 -0.469 8.986 1.179 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 -5.110 -4.112 1.963 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 -15.797 -4.889 15.544 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 -0.701 -44.400 12.310 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 7.572 0.738 3.165 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 -17.505 9.503 8.375 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 -2.357 -3.768 1.509 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 -5.346 2.722 0.613 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 -16.630 3.682 11.653 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 21.902 -12.888 -4.651 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 0.882 1.119 -0.847 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 -10.668 -10.936 -7.604 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 2.361 -0.274 1.035 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 6.117 3.841 -1.150 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 9.506 5.279 -8.398 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 3.152 -7.534 0.902 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 1.788 4.643 8.681 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 3.551 2.419 0.232 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 0.407 5.963 21.988 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 -3.726 3.900 5.337 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 -20.714 3.968 7.232 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 -12.595 -0.684 10.209 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 -1.000 1.474 0.776 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 -2.529 -9.319 -1.152 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 -1.078 19.039 2.566 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 1.489 1.260 -2.355 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 3.456 3.909 0.702 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 8.647 1.223 14.793 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 5.061 0.005 -4.004 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 3.117 6.086 -10.226 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 11.751 -2.535 -5.290 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 9.234 -1.525 1.986 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 -6.619 11.935 -18.070 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 3.245 4.014 -5.241 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 6.498 -3.389 4.992 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 19.256 -0.438 -15.633 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 -8.123 1.946 15.412 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 -0.341 1.271 -2.211 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 0.297 3.079 0.266 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 5.230 -3.028 -3.866 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 -0.018 -5.695 0.425 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 2.634 14.232 -9.872 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 -23.118 -15.985 -8.781 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 -8.689 -0.082 3.619 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 -3.338 2.407 -10.082 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 6.173 1.627 -15.190 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 -2.108 1.879 -5.088 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 -15.759 -1.355 -6.232 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 2.266 21.962 -4.605 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 6.970 0.881 -3.299 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 7.989 4.602 -17.512 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 17.553 8.192 14.580 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 0.641 0.917 7.043 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 -7.454 -10.418 0.330 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 14.520 12.410 9.013 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 1.784 4.575 1.179 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 1.664 15.649 9.275 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 -3.317 18.468 -17.235 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 4.151 -3.815 -1.761 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 -34.815 -20.920 -5.612 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 17.700 -24.601 30.971 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 -7.682 -1.872 -4.552 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 -1.951 3.988 -0.545 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 -9.395 -6.978 -7.959 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 1.896 -3.403 -0.473 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 0.064 -7.040 1.185 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 -2.812 -5.164 -5.511 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 3.306 -0.250 5.525 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 1.177 -3.551 -3.616 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 22.659 -24.358 -10.810 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 -0.094 3.693 3.257 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 9.553 -5.088 -12.608 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 0.330 -20.617 7.709 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 -3.100 4.285 1.304 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 1.611 0.795 8.307 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 -24.216 15.256 -24.859 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 -0.618 0.331 -3.356 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 -13.483 17.012 -14.939 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 9.852 -10.692 -23.567 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 0.152 1.588 -4.321 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 -10.532 27.298 -4.744 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 -9.910 5.015 8.052 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 0.753 1.532 -4.685 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 -3.795 -3.434 0.909 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 3.514 16.272 -4.278 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 -1.908 8.787 -1.245 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 -4.850 12.555 11.229 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 -4.805 3.418 -1.725 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 -0.289 -7.529 8.975 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 1.863 3.088 0.485 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 4.668 3.913 -4.127 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 -5.196 -2.038 5.102 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 17.198 -13.522 8.895 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 7.718 -15.106 -16.165 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 0.642 -5.066 -1.332 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 -13.467 -0.715 -10.150 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 15.245 16.051 23.440 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 -3.929 -0.324 -1.384 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 -18.486 10.185 11.716 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 22.913 -6.899 24.451 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 1.175 3.240 -0.954 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 -4.776 5.428 15.850 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 6.696 2.076 -1.144 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 1.327 3.837 -3.652 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 -14.478 -16.174 -20.368 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 1.581 4.605 2.401 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 1.350 -1.718 -1.329 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 -21.009 -16.271 -19.657 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 0.083 -1.379 -3.869 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 -0.258 -0.062 -4.031 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 13.903 -4.847 21.303 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 -10.907 -6.273 19.679 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 -0.186 4.050 -2.501 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 -4.502 -10.840 -13.569 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 12.493 14.311 15.476 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 0.537 -6.041 0.993 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 11.520 1.581 -7.141 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 1.449 0.217 15.475 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 4.137 0.061 2.016 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 4.726 -2.126 18.328 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 2.133 0.174 -6.734 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 1.059 1.079 -1.165 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 -5.151 6.905 0.506 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 -3.179 -5.123 6.696 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 -2.532 -0.570 -3.066 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 3.976 -22.188 -13.543 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 11.442 -11.686 -9.599 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 1.037 -2.290 0.637 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 -6.738 2.349 14.404 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 -0.779 -0.231 9.245 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 2.376 -7.175 0.862 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 -4.501 10.954 26.025 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 13.215 -10.985 -17.227 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 -4.754 -2.091 -5.855 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 -0.423 -11.959 -4.004 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 -5.249 -7.824 -5.042 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 -0.065 1.491 -7.080 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 11.518 6.403 -1.194 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 5.269 -10.144 16.910 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 4.070 -1.836 4.334 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 7.075 -5.098 1.874 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 -0.963 -4.438 0.890 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 -5.601 -2.676 -0.121 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 -7.701 -3.102 2.580 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 -15.920 1.923 -9.255 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 -1.081 3.117 -0.898 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 -28.670 1.026 32.529 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 6.737 3.972 -10.393 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 2.402 0.785 -0.087 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 -0.748 15.113 -10.668 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 3.176 12.002 21.041 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 3.045 2.651 -0.271 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 0.322 0.762 -7.000 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 1.087 -5.001 -10.244 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 -1.345 1.439 2.297 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 -2.821 1.197 2.600 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 16.851 -3.935 3.995 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 -2.063 -0.470 -7.622 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 -10.873 10.822 -12.381 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 -8.981 0.912 -13.688 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 0.151 -5.060 -0.437 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 3.480 -8.669 13.327 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 -14.773 -9.167 -3.694 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 4.638 -0.210 2.448 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 18.026 -0.788 15.630 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 -7.187 2.849 -7.123 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 2.579 2.405 -4.547 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 3.274 4.430 -6.646 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 -8.756 -20.204 6.562 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 -1.514 2.853 3.089 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 -10.242 7.054 0.186 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 8.248 2.730 10.532 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 4.367 2.753 -1.949 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 -1.315 -1.775 -2.147 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 -5.993 -5.785 5.160 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 6.448 -1.978 0.813 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 7.571 -0.653 7.917 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 13.013 -29.538 28.484 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 0.535 3.129 7.804 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 -32.949 -3.050 5.233 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 -0.659 11.609 -22.323 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 -0.485 5.522 -0.066 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 14.168 -12.749 0.679 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 -0.791 0.837 3.673 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 4.750 -1.424 0.560 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 13.169 7.945 -7.809 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 -13.039 12.396 -15.754 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 3.418 0.282 0.308 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 1.168 3.297 7.895 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 1.283 -2.071 -6.684 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 -1.391 -3.068 -2.157 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 6.835 -5.363 6.616 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 -0.106 7.261 8.102 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 -3.153 -2.891 -5.005 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 2.427 -4.108 -0.402 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 1.884 -0.886 -4.432 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 -0.505 -1.840 8.331 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 16.621 -16.018 3.231 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 -7.743 -6.736 4.485 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 0.923 4.203 -3.241 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 -6.445 9.514 11.312 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 0.141 -14.537 -2.756 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 -6.911 0.145 -3.823 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 19.405 -31.283 -6.523 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 -33.967 14.876 -2.298 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 3.610 1.618 -2.220 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 -1.086 -4.991 -8.785 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 -6.802 -11.005 -13.854 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 -1.752 1.053 2.885 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 -31.212 6.342 4.164 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 -16.748 -5.066 0.515 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 -3.410 0.229 6.456 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 -1.275 -2.145 3.229 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 -7.143 4.645 -26.173 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 3.190 -5.048 -1.798 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 15.661 4.750 -2.524 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 0.307 -8.052 -0.337 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 2.724 1.835 -5.527 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 -10.954 0.765 -23.050 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 -16.766 -26.290 -1.874 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 -7.924 -3.189 -3.571 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 -1.843 -9.947 19.114 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 -18.276 20.185 6.345 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 -0.645 4.926 3.311 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 15.779 21.024 14.395 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 -2.113 31.734 15.500 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 -1.195 -1.386 2.119 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 24.495 26.568 30.457 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 0.751 -0.902 3.256 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 -1.341 -2.922 0.437 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 1.707 -15.076 -17.766 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 -1.364 -10.175 17.702 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 1.868 -0.114 -5.226 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 21.032 -5.099 15.423 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 -1.185 7.544 10.699 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 -4.220 -0.367 -4.854 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 -5.404 0.206 -6.176 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 -18.091 9.117 -17.424 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 0.181 -1.507 -0.913 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 -0.358 10.478 -8.376 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 13.020 1.607 0.017 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 -3.796 -0.714 2.089 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 10.492 -30.476 10.909 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 -8.011 -4.592 -10.962 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 -3.421 -1.533 5.514 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 -21.442 -8.614 -22.204 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 14.688 1.341 -13.552 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 3.437 -0.907 -0.047 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 5.257 -15.215 1.184 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 -3.287 -13.510 -3.954 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 -6.923 0.876 0.054 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 9.663 -6.650 0.927 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 -18.520 -4.982 18.463 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 -6.288 1.861 -5.601 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 -9.355 3.185 -23.880 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 1.350 14.564 2.838 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 -1.341 0.773 -0.860 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 5.481 -2.382 3.392 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 -9.705 5.964 -3.419 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 -2.022 -0.830 5.779 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 -3.626 11.529 2.685 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 -8.483 -10.330 8.822 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 -3.893 1.048 -3.010 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 26.834 -5.293 7.468 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 3.871 9.902 15.648 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 6.846 -4.742 0.293 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 7.149 -15.175 5.602 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 0.051 -11.884 8.450 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 3.700 -0.482 6.191 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 3.448 -3.614 0.482 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 5.476 2.996 13.334 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 -2.429 -4.146 -4.885 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 -36.902 1.519 -17.294 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 -2.296 -3.464 -4.651 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 0.788 0.346 -2.942 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 1.253 -5.428 0.794 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 0.275 -7.399 0.590 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 1.231 -6.050 2.918 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 3.780 2.285 5.760 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 10.990 -1.834 10.785 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 1.450 -2.665 1.491 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 -2.405 -4.662 -12.106 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 -16.447 -15.899 -2.573 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 -1.534 -1.180 0.014 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 -29.029 -14.279 13.000 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 -10.078 -6.790 9.513 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 3.272 0.069 -5.540 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 3.086 -26.999 14.647 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 -31.121 -3.435 -12.570 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 -0.913 -3.993 -2.061 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 3.505 9.568 3.120 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 13.267 15.056 -8.874 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 1.900 -4.051 -2.969 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 5.079 -7.656 -8.714 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 5.192 -13.391 -8.781 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 -0.818 3.016 0.903 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 4.149 7.194 11.353 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 12.036 3.855 22.615 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 -3.137 -0.991 4.953 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 -9.187 2.803 1.838 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 -7.677 2.290 4.668 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 3.776 -2.703 -4.285 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 2.104 -22.444 -3.521 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 9.509 -3.977 -3.094 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 -2.296 2.615 -4.157 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 -8.289 6.187 -14.676 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 10.032 -7.334 13.514 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 0.870 0.054 -3.247 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 14.062 1.897 0.908 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 13.144 11.599 4.574 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 0.809 0.594 4.943 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 -10.770 21.650 31.355 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 16.336 1.077 7.650 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 3.071 -0.879 -0.344 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 6.682 -23.971 -8.859 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 8.216 3.046 -16.548 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 -1.245 0.315 3.646 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 -3.162 -1.380 10.051 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 -9.864 4.005 5.290 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 4.833 3.174 -1.455 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 8.821 11.899 2.687 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 -10.558 -17.789 -18.167 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 -1.414 0.113 -9.795 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 17.122 5.091 3.762 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 -9.896 3.269 -23.643 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 -1.166 0.737 -0.265 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 -13.168 -2.091 -8.270 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 9.472 0.820 7.665 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 1.662 4.059 -0.334 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 -0.552 0.291 21.003 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 4.430 4.409 1.629 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 -0.390 -0.888 2.822 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 -6.473 7.968 -4.823 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 7.389 2.372 22.834 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 0.611 -6.176 -0.048 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 -0.388 18.382 -9.846 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 9.894 4.489 1.709 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 -5.357 -3.394 3.834 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 14.030 -24.774 27.363 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 -31.115 -3.687 -1.947 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 2.361 -2.841 2.452 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 -15.006 21.679 -1.926 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 27.668 -25.713 -0.638 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 -0.165 -1.888 3.595 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 -0.380 -22.894 0.872 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 -6.866 6.989 10.138 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 -6.470 2.420 -4.735 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 -8.212 35.737 -15.918 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 -16.633 -12.149 -1.295 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 0.030 5.092 -5.187 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 -5.581 6.152 13.000 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 -9.121 -4.224 34.265 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 1.545 -6.613 -5.402 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 -2.571 -8.230 -9.780 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 20.674 -3.096 -6.206 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 1.869 3.944 -3.245 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 -5.748 3.093 -21.203 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 1.625 3.004 -9.316 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 2.107 0.803 2.198 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 2.296 -4.207 0.156 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 2.723 12.185 -0.924 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 9.404 -3.221 -4.428 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 11.303 -8.429 -12.886 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 -1.867 4.804 -9.601 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 0.379 -2.343 4.985 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 -2.349 -9.787 4.224 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 1.310 -6.650 -12.410 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 0.714 0.998 -0.371 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 -13.910 7.114 13.315 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 14.655 8.906 4.618 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 4.368 1.857 3.163 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 4.892 0.882 1.759 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 -4.693 0.015 -6.519 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 2.511 -1.966 -0.550 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 12.173 -1.829 -9.154 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 4.067 2.650 -1.857 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 6.350 -1.805 4.345 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 14.831 0.207 -8.878 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 12.759 -9.380 7.445 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 -1.469 -2.125 -4.859 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 -8.400 -30.042 8.493 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 4.175 20.298 -15.206 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 -1.325 -2.041 0.390 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 -8.482 15.301 -7.215 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 -16.653 -14.941 0.204 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 5.892 2.898 0.004 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 -25.765 9.265 20.782 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 11.820 -5.608 -6.000 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 -4.970 2.012 5.092 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 -3.493 7.294 10.386 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 0.914 -8.597 8.486 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 1.177 8.929 -3.574 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 16.957 -0.550 -1.780 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 -4.571 7.134 5.103 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 5.795 0.916 1.207 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 13.393 9.402 -0.716 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 9.705 -8.442 -0.978 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 -0.521 -4.387 -5.635 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 11.134 6.477 3.076 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 4.114 -2.926 -11.879 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 -7.328 0.320 -3.288 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 -10.257 -6.568 -6.314 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 -0.236 2.151 -17.380 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 -0.571 -6.428 -5.502 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 -21.138 -0.638 16.375 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 -4.890 8.781 5.253 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 -3.461 3.467 5.487 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 -5.348 20.236 -2.831 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 6.229 14.518 12.218 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 2.006 1.671 9.619 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 2.488 13.550 8.036 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 -10.430 -2.586 -8.984 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 0.786 0.854 9.430 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 -9.599 -21.753 8.126 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 6.360 -22.169 10.384 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 0.667 -3.619 8.621 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 -9.619 10.390 -12.968 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 -11.785 15.232 11.917 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 -3.004 0.957 1.685 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 -3.002 9.231 9.202 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 -3.324 26.746 13.591 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 -5.148 -4.944 -8.816 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 -21.745 -8.949 13.285 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 1.627 -2.365 -15.999 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 1.020 -3.371 0.239 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 6.057 9.774 4.549 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 -9.875 -12.683 -4.334 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 -2.729 -3.906 1.377 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 -6.631 -9.344 6.125 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 -1.286 4.003 5.969 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 5.545 9.496 3.587 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 13.955 -2.134 1.730 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 10.502 6.758 -5.051 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 5.418 -1.815 -0.554 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 -4.701 5.847 -6.522 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 -22.566 -3.458 -1.514 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 0.215 5.197 3.609 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 -0.307 -16.825 2.744 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 -1.010 -21.447 -10.101 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 -0.485 7.587 0.743 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 -9.756 0.574 -0.382 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 9.333 15.547 11.034 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 -6.362 -3.798 -1.073 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 1.550 1.615 -9.439 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 -5.933 -5.283 29.568 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 -1.105 -1.305 -0.120 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 -8.811 -1.424 10.045 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 -16.641 -0.635 16.793 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 -4.515 -7.796 8.456 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 14.914 -4.450 10.470 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 -9.506 1.427 3.824 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 -0.126 0.749 5.048 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 -11.866 -8.394 15.609 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 15.526 13.895 -12.957 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 -1.247 0.263 1.634 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 -1.335 -10.461 11.150 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 12.030 3.926 -22.003 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 6.126 -4.951 9.538 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 3.671 4.293 -2.152 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 -9.483 41.300 5.589 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 2.973 -1.056 -1.978 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 10.338 16.493 0.119 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 1.426 -22.441 8.025 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 -4.630 -1.337 -1.133 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 13.773 12.720 10.620 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 17.933 10.685 13.060 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 -0.220 4.472 -5.521 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 11.347 -1.409 -8.331 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 -23.510 23.169 -1.042 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 0.938 1.934 0.372 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 2.369 7.854 -3.549 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 -7.138 10.991 3.762 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 -2.947 -4.845 -0.839 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 -1.291 -9.233 -5.802 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 -5.359 -7.819 -14.378 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 4.697 2.645 -3.182 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 1.394 -33.239 -21.904 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 3.864 8.172 -8.321 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 3.160 1.882 -10.794 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 4.354 -6.660 -22.839 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 -0.822 -6.939 1.412 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 -1.825 4.813 -1.043 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 -0.689 3.869 3.641 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 0.487 6.136 -0.939 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 4.028 -5.140 3.608 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 0.225 -20.080 -4.337 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 5.229 0.045 15.825 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 -0.201 -0.155 -5.524 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 -9.491 -7.292 32.729 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 -11.207 -0.915 -26.978 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 3.913 -1.680 -0.173 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 0.706 -4.795 1.259 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 -14.467 5.364 -7.750 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 -4.509 1.516 -0.245 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 -1.700 -0.503 -1.082 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 -0.688 3.695 -8.630 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 -4.384 0.510 2.306 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 -2.507 -17.775 3.363 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 6.000 8.577 14.495 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 3.267 1.871 -4.162 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 6.880 -2.185 -12.578 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 2.850 -8.344 6.209 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 -0.571 0.353 -10.174 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 -12.852 -14.003 -15.367 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 -6.301 -20.845 -22.690 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 -4.425 0.867 -2.370 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 26.624 3.630 -45.495 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 1.329 0.281 -13.271 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 5.402 6.479 1.468 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 8.983 7.384 0.285 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 -8.771 3.669 9.047 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 -4.602 8.520 0.607 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 -14.902 1.257 -14.911 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 -9.142 1.491 -13.894 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 -6.243 5.136 -5.220 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 0.988 -11.895 -1.077 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 -5.072 -13.225 -1.475 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 3.099 -3.200 -3.935 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 6.783 -7.935 -4.133 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 -6.880 14.850 -7.045 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 2.787 2.829 1.753 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 0.942 -14.896 8.984 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 25.914 9.163 28.636 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 -4.976 -2.513 7.456 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 1.861 -6.173 -6.497 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 3.295 6.084 3.382 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 -3.155 4.399 -6.305 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 -19.521 -2.959 -9.754 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 7.061 -7.560 -8.225 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 -2.221 6.881 -1.159 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 3.479 6.754 2.448 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 -6.996 6.654 -3.901 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 -4.664 -4.296 1.174 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 -4.853 8.488 4.362 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 -2.853 13.365 2.836 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 5.324 3.870 -2.896 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 20.257 8.601 -32.375 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 -7.359 11.410 -8.297 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 0.327 3.795 -1.574 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 -15.728 1.773 -4.798 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 -16.372 -2.323 -0.505 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 5.242 0.146 -0.825 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 -7.458 6.512 -6.538 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 11.010 -11.383 -5.312 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 -1.779 -3.227 -1.398 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 -2.125 -7.260 -1.450 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 -8.231 -15.121 1.164 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 -1.797 -0.861 5.898 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 4.081 -27.576 -26.585 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 2.777 7.642 -0.364 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 -0.425 -3.902 -6.839 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 2.495 -5.302 -7.734 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 -6.273 -1.373 -3.281 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 -1.391 -0.756 -2.689 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 1.145 13.079 11.661 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 7.672 34.692 -16.949 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 0.231 -6.651 1.025 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 -5.379 3.855 10.983 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 -5.261 -20.365 6.545 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 0.304 4.446 3.427 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 9.550 -6.422 9.079 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 -1.718 18.925 -4.185 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 -4.180 2.227 -2.942 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 2.115 6.387 -1.862 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 3.522 -2.697 1.997 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 0.874 2.872 4.146 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 -1.476 2.595 1.763 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 12.848 0.366 15.205 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 6.709 1.292 -3.366 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 11.881 -3.343 9.136 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 -0.696 6.727 -17.389 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 -3.130 0.821 -5.481 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 5.656 14.919 1.666 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 -4.905 -14.397 7.489 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 -4.670 2.765 -0.785 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 -3.696 7.808 26.127 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 -10.655 19.191 2.193 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 -1.859 2.204 2.854 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 -13.708 -13.647 3.630 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 11.344 -5.944 7.985 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 7.121 5.866 3.259 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 1.553 1.038 -11.469 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 -3.932 2.432 9.544 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 2.860 -2.239 -2.204 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 14.499 -22.070 1.684 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 -0.509 1.954 -8.353 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 0.506 0.844 4.863 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 -7.288 -2.394 0.012 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 5.586 -4.788 9.173 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 1.895 0.439 8.250 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 -3.744 -7.771 2.300 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 7.530 -3.041 4.497 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 -3.972 -2.288 -0.339 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 -16.049 -33.574 18.471 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 2.204 18.819 -5.760 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 4.639 -2.910 -3.703 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 9.979 2.108 -14.534 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 -0.077 -17.193 6.076 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 -1.315 -0.674 2.237 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 -8.793 -26.566 -2.027 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 10.010 4.619 7.500 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 -3.339 3.584 -1.257 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 -4.049 -10.549 13.226 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 -0.903 11.792 -8.904 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 5.244 -0.695 2.139 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 4.041 4.227 2.035 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 8.215 -4.031 2.878 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 -0.349 -2.648 0.017 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 -6.381 -4.159 -19.364 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 16.395 -21.135 7.194 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 -0.183 5.294 5.223 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 11.462 -3.461 7.268 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 -11.006 8.545 4.376 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 -4.109 -3.094 0.600 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 -16.017 -14.126 -0.938 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 3.305 -17.412 20.671 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 -2.524 0.724 -4.556 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 -1.378 6.788 -7.499 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 -4.873 1.319 2.854 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 -0.825 -3.528 -3.836 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 -11.135 5.737 -2.754 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 3.384 -16.224 -8.421 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 0.494 -2.964 -6.119 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 -8.972 12.821 7.587 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 -3.181 4.507 1.003 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 -3.369 5.230 -0.971 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 13.864 3.718 1.214 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 -11.433 -14.894 -23.606 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 2.561 -6.097 -4.226 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 14.995 -26.896 -0.863 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 -0.114 -15.610 11.697 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 0.537 -0.748 2.137 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 13.896 8.147 -6.857 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 3.020 9.961 4.215 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 6.400 4.914 1.220 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 1.681 -0.320 -0.591 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 -16.315 -7.592 -16.689 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 1.751 5.652 -6.201 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 -2.272 -0.963 -15.542 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 -3.484 6.604 -1.384 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 -2.609 3.494 1.378 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 8.671 -0.294 -7.281 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 -1.953 26.405 -2.304 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 0.176 -5.193 -4.137 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 3.179 -1.038 -12.031 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 1.730 -2.903 -8.330 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 -0.851 2.221 -5.737 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 11.821 4.309 -14.423 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 -7.109 14.967 12.009 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 0.486 -2.235 -2.477 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 0.469 0.964 4.778 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 0.951 -0.123 -0.715 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 -3.816 3.236 3.353 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 4.512 -2.146 -1.724 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 3.824 1.283 -1.134 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 -0.184 -1.739 -2.891 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 -15.202 1.421 -11.990 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 -0.979 16.171 9.219 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 2.166 1.782 -0.544 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 -3.401 6.013 6.213 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 3.690 1.604 0.625 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 5.216 -2.401 1.025 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 9.137 5.260 -16.922 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 18.488 -22.665 -10.259 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 8.295 -2.118 -4.827 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 9.659 -4.999 -5.610 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 -8.884 23.874 -9.994 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 -1.909 -3.377 0.865 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 -3.805 -8.850 -4.139 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 -6.740 12.332 15.340 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 -4.404 2.044 -0.092 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 2.365 -8.014 -12.539 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 4.125 -17.428 0.911 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 3.502 6.522 -1.244 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 4.677 5.224 -3.388 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 -6.975 10.532 23.265 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 -2.171 -5.065 5.158 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 -0.668 1.031 7.450 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 6.640 -5.290 -15.453 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 1.247 -2.023 3.953 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 -2.157 4.163 2.752 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 -3.909 -1.504 8.142 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 -4.482 -6.146 -1.084 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 -7.541 -10.529 18.743 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 -6.443 17.729 -9.420 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 0.168 5.418 -0.857 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 -17.376 11.840 7.755 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 -3.913 13.282 5.271 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 0.067 -3.921 -6.946 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 12.615 -5.654 -14.599 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 -11.362 -16.109 -7.454 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 -1.725 5.277 -0.727 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 1.910 -16.950 30.740 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 -6.355 -7.447 9.056 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 -0.446 -4.421 -1.226 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 6.395 -11.883 -14.932 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 4.268 -0.656 5.637 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 2.868 -0.291 -0.510 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 11.110 -18.364 2.775 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 -5.662 -4.649 -0.991 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 -3.070 -4.826 -0.248 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 0.177 1.789 17.999 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 -11.749 -22.758 2.353 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 -0.852 3.919 8.980 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 -4.097 12.357 -19.078 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 6.773 11.375 12.817 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 -2.235 -1.473 3.574 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 0.882 -11.534 14.361 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 -1.794 -0.932 1.191 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 -4.657 -2.359 0.570 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 4.972 13.864 14.372 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 8.534 18.944 2.880 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 3.868 3.372 -1.893 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 -11.102 -5.318 -8.808 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 14.719 21.542 24.352 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 -2.778 0.580 1.928 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 -4.366 21.387 -5.758 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 -4.185 5.502 5.510 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 -2.202 0.230 -6.716 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 -0.929 -9.055 -38.205 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 -10.564 -2.061 -11.733 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 -0.536 4.495 1.091 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 -28.251 -1.415 -18.300 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 13.414 -32.173 12.840 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 2.693 -2.720 6.082 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 -16.548 6.456 -16.516 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 -8.412 -18.987 19.875 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 -7.441 2.256 0.340 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 -7.537 11.056 -10.299 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 -7.566 9.646 -8.694 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 8.417 -1.482 -1.973 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 -2.277 -8.381 -15.729 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 23.469 -2.283 10.696 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 -0.565 4.873 -5.456 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 -3.040 12.027 -2.845 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 -8.762 0.146 -9.193 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 -4.557 6.167 4.125 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 -8.789 18.125 -1.263 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 3.563 11.551 -4.866 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 -5.913 -2.202 1.705 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 -17.980 -11.625 -0.265 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 6.609 6.500 3.648 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 4.045 -1.959 -3.426 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 16.481 -8.081 -16.570 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 11.090 -3.196 -7.546 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 5.892 -4.724 2.301 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 9.550 -0.561 6.009 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 12.936 1.700 -4.956 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 0.826 0.685 3.297 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 -2.611 6.631 18.218 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 -8.676 -1.030 -11.372 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 0.938 1.705 0.880 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 8.621 -0.941 0.188 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 -8.673 6.453 3.784 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 0.149 -1.764 -1.845 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 1.682 28.657 0.388 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 -2.814 -33.464 -1.487 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 -7.156 -7.904 2.959 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 -14.156 -3.182 -11.151 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 -8.234 5.288 12.027 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 3.497 1.922 -3.508 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 7.822 -2.182 -4.408 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 1.114 3.582 -2.803 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 -2.436 0.733 -2.946 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 10.336 -25.818 -7.629 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 11.999 11.899 9.406 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 5.673 4.591 -5.029 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 2.015 -5.228 -0.413 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 2.844 -17.680 7.913 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 -3.562 9.054 -2.104 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 1.327 -20.645 7.885 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 -9.678 36.965 -7.973 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 -0.053 1.409 2.237 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 -7.073 6.403 11.089 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 12.871 -0.331 7.809 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 3.595 -2.543 0.756 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 -20.069 -18.524 -10.546 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 3.696 -6.657 -9.912 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 -2.590 -0.309 0.892 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 -1.012 4.283 3.551 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 -4.486 -2.975 10.606 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 2.159 -6.239 -2.933 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 6.088 -5.779 -1.273 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 5.459 -5.490 -1.412 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 1.659 -5.772 4.591 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 -6.508 -3.469 3.316 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 -20.390 -6.585 -9.993 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 -2.922 -0.586 -1.491 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 0.250 2.767 -19.368 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 -9.099 -9.341 12.074 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 -0.416 2.671 1.359 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 16.043 -4.086 21.108 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 -5.816 4.922 -13.333 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 2.155 -3.468 2.492 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 15.925 4.945 -3.891 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 11.923 -1.427 8.397 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 -1.195 -1.151 4.729 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 -9.986 5.943 9.672 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 14.585 -3.405 0.783 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 1.170 0.912 -2.682 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 7.044 -0.570 -7.683 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 -5.181 4.663 -18.144 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 2.373 -5.984 6.728 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 4.418 -1.501 -26.665 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 26.123 -1.036 -15.458 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 7.695 3.682 0.332 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 3.117 31.276 -7.488 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 9.579 -5.146 -26.118 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 5.223 3.925 -3.188 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 18.305 -1.145 3.973 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 -4.560 0.633 1.094 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 -3.715 3.130 0.972 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 -5.007 7.689 -0.049 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 4.969 12.764 -7.748 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 -1.211 -2.112 -6.011 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 3.965 -7.620 6.292 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 -4.302 -15.424 -14.474 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 -4.303 0.133 -0.645 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 4.131 -6.146 0.022 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 23.252 -20.140 0.938 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 -4.231 3.330 5.266 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 5.626 6.346 17.026 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 -2.061 5.167 7.612 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 6.461 0.870 -4.034 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 -3.612 -5.273 -12.284 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 -1.704 5.646 -2.882 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 -2.745 -2.347 3.916 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 -2.389 -12.019 -0.090 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 -7.233 15.455 5.508 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 -8.065 -1.690 -1.703 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 -1.875 -0.472 2.981 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 -13.314 -7.818 -1.388 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 -5.097 -2.159 -0.838 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 5.806 -35.875 12.630 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 3.279 18.311 7.278 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 0.076 1.356 -4.557 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 1.759 20.696 -2.447 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 -7.821 -8.493 -2.745 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 5.804 -3.169 -3.203 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 6.479 -13.512 -13.183 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 13.040 20.957 14.107 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 -7.227 5.857 -0.670 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 -2.115 17.297 4.638 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 -16.764 11.263 8.664 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 5.664 -0.601 4.264 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 9.667 -6.260 2.334 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 4.861 -49.704 -11.370 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 1.509 1.694 5.568 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 6.107 -0.464 4.680 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 -7.225 9.831 20.742 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 2.414 -2.329 2.325 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 -9.776 -17.010 -1.752 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 -3.568 4.565 24.916 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 0.425 3.088 -9.579 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 -24.532 -13.380 -30.659 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 11.603 7.192 4.118 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 1.193 -0.716 -2.520 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 -7.919 -12.820 3.716 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 18.613 -20.879 4.095 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 3.910 4.069 -0.013 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 20.757 -9.534 -1.389 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 -2.148 7.598 1.286 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 -3.821 4.740 -0.424 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 12.326 2.943 -1.356 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 0.131 14.912 35.829 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 2.116 5.020 6.732 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 4.257 -0.343 13.596 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 1.239 -12.764 -0.169 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 -5.471 -11.825 -5.265 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 5.849 -33.579 -3.838 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 -3.774 17.780 -9.095 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 -2.148 -1.460 1.791 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 16.263 18.665 -5.000 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 15.741 11.485 -11.966 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 -0.052 1.571 -3.200 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 -8.987 3.555 -22.497 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 13.036 22.134 10.038 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 -5.017 -1.515 5.345 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 26.286 0.225 14.458 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 -6.131 11.197 -0.598 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 -6.326 4.602 -6.842 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 -10.543 26.865 -2.559 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 1.359 -0.811 5.119 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 5.412 -4.527 -2.573 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 13.491 -0.783 7.644 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 -3.230 -7.115 -16.588 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 -2.806 1.487 8.527 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 6.593 -1.653 6.130 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 9.636 2.069 10.849 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 2.057 8.078 -3.472 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 1.622 14.325 -14.414 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 4.151 14.822 -10.168 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 -5.291 4.550 4.157 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 -5.954 -12.375 -3.110 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 19.438 -8.252 23.151 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 7.492 -5.273 -0.047 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 3.887 -4.533 0.325 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 4.432 -4.820 0.725 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 0.903 1.812 -1.443 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 5.027 9.882 5.593 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 -7.980 3.590 8.318 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 4.660 1.730 3.030 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 9.263 -3.966 1.071 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 3.346 3.966 3.235 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 0.930 -6.552 3.575 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 16.695 -15.677 -16.551 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 7.312 -8.108 -5.929 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 2.741 6.246 1.873 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 13.404 11.299 17.410 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 -14.236 11.853 -2.188 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 6.684 -0.453 -0.933 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 -5.967 -10.351 9.179 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 -6.077 -11.340 8.417 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 -3.380 4.838 -7.276 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 14.966 -6.829 8.415 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 0.135 3.150 -4.935 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 -6.861 -0.197 -1.321 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 -5.068 -0.782 -1.121 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 -21.405 -4.725 4.267 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 -3.330 -10.049 -0.230 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 -5.698 -8.155 -2.027 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 13.011 -16.512 0.041 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 -1.436 -2.630 3.635 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 1.000 -6.038 -3.827 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 5.798 6.176 10.314 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 -1.083 -3.428 1.017 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 -12.387 -1.682 -13.259 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 2.255 2.469 17.867 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 5.284 -3.529 2.871 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 0.920 -6.401 9.874 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 -11.907 3.823 -10.092 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 3.199 -7.048 1.708 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 21.945 -5.432 3.203 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 4.417 -5.659 -8.960 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 -1.194 -7.548 4.307 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 -11.770 -2.159 10.409 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 21.379 6.366 12.739 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 -1.982 -2.047 -0.922 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 10.271 33.348 -12.765 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 -13.699 11.048 34.229 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 -6.632 -2.471 -0.888 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 -5.566 6.291 0.045 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 -9.311 17.759 6.695 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 -7.656 2.844 0.698 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 3.405 24.061 -2.963 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 -0.456 18.132 -1.311 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 2.507 1.250 0.196 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 -24.269 -8.061 -9.418 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 -13.763 -6.105 -7.279 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 6.517 -3.499 5.588 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 -2.429 1.045 11.861 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 -5.813 -31.089 -13.924 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 -1.832 -1.637 6.572 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 -10.721 -1.329 6.300 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 3.153 2.479 4.143 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 3.806 0.946 1.551 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 8.182 -3.437 -0.622 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 6.368 -2.333 2.340 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 4.596 4.682 1.532 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 -7.898 0.471 -2.233 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 -0.544 -16.398 13.823 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 3.882 -1.525 3.166 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 -17.103 -12.170 -6.442 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 5.616 -0.595 4.486 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 5.053 -3.408 6.406 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 11.944 -2.794 7.834 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 11.981 -17.967 5.984 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 5.598 0.311 2.958 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 7.460 3.024 -6.351 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 3.861 -7.311 13.525 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 0.567 -3.257 -0.413 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 -5.960 -8.077 0.977 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 4.691 3.957 20.669 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 1.434 -2.863 -0.258 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 3.502 -3.333 -1.336 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 2.220 -8.341 8.656 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 -3.790 -1.859 4.358 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 -3.044 8.859 17.973 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 14.983 1.508 4.802 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 -0.295 0.799 8.055 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 -15.235 14.862 10.428 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 -2.384 -3.957 8.968 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 1.560 2.402 2.927 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 33.143 -11.318 -23.848 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 0.693 1.082 17.941 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 2.405 0.161 4.430 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 4.489 1.125 -18.168 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 -3.356 6.485 19.453 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 -0.004 -3.824 -0.285 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 3.808 4.477 10.350 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 -5.486 -5.063 -18.594 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 -0.384 1.535 -2.744 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 4.358 -9.929 8.040 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 -7.693 -5.410 -10.419 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 -4.554 6.200 -0.512 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 2.075 13.876 10.882 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 7.972 4.853 2.362 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 0.644 -3.287 -2.893 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 -0.512 -7.323 1.996 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 -4.683 -3.714 -7.255 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 -0.762 0.791 0.492 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 8.241 20.769 -23.555 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 2.166 -21.570 5.703 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 -2.321 -1.427 2.590 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 4.024 -3.056 12.981 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 2.696 1.482 -0.311 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 -5.726 -3.051 4.405 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 -7.926 3.580 15.552 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 3.139 5.189 5.295 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 -10.130 2.208 -1.772 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 -16.335 6.378 9.025 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 -2.217 3.326 6.205 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 2.804 -0.097 2.810 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 -4.079 -1.685 9.264 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 5.927 0.366 4.333 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 -2.288 0.020 1.240 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 12.305 -27.710 -11.577 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 13.712 2.928 20.767 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 -4.268 0.304 -2.915 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 -10.562 -13.152 -3.846 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 3.437 1.664 -15.953 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 1.379 1.418 1.507 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 -17.416 -8.047 3.833 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 8.451 -7.378 -8.873 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 -4.722 1.057 3.085 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 -9.519 9.069 -0.786 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 2.134 -5.880 -1.706 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 2.009 3.640 4.242 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 -2.797 8.423 3.435 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 3.877 2.826 -0.686 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 -0.739 -0.566 1.441 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 -5.762 32.487 8.266 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 8.590 -0.377 -27.571 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 3.220 0.086 -1.317 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 18.271 -6.832 -3.170 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 20.225 -16.662 1.381 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 -2.322 -0.718 2.527 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 -7.293 2.945 -18.146 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 -10.810 -16.087 9.071 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 1.455 0.176 6.103 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 18.202 -3.008 11.709 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 13.463 24.666 17.252 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 -2.384 4.319 8.392 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 1.210 -8.452 24.567 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 -6.121 16.260 -7.609 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 -0.760 -1.429 1.057 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 -8.422 20.848 -18.331 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 13.760 3.224 4.224 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 -5.848 1.570 3.830 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 -6.236 13.360 -13.845 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 -3.727 -21.350 -1.976 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 -5.294 -1.469 0.692 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 -0.971 3.429 14.555 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 -11.899 -5.431 6.250 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 3.864 2.303 2.533 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 10.112 1.699 -3.983 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 -3.661 -2.027 1.126 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 0.479 -4.357 1.700 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 23.499 -5.228 -1.593 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 0.817 -24.754 12.131 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 -5.570 1.007 0.979 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 -14.751 -10.169 -12.088 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 9.678 -10.051 16.811 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 1.053 7.162 -3.482 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 12.478 -3.524 -15.278 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 4.741 2.316 -6.346 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 1.885 3.002 -1.807 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 0.214 5.811 -7.099 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 9.430 -1.866 -8.761 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 -4.774 2.341 5.024 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 -11.999 24.217 4.447 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 -18.198 -12.108 18.042 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 0.575 -9.631 2.842 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 30.287 14.994 -2.552 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 -0.331 -7.993 0.574 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 6.559 -2.941 -0.507 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 -0.873 -0.855 -17.055 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 -21.493 16.079 12.110 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 8.161 -2.661 -4.452 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 12.659 7.661 9.826 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 16.080 -4.740 -8.993 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 -0.837 2.631 2.897 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 7.574 -0.443 16.357 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 -10.590 -1.433 0.049 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 5.199 -0.868 0.337 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 5.065 3.720 1.825 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 -3.919 -2.677 0.847 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 4.059 5.702 5.718 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 1.156 2.471 -1.346 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 15.122 -1.517 6.389 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 0.046 -4.276 -1.779 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 -24.744 -1.991 -18.325 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 1.727 14.034 7.074 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 6.137 3.055 6.395 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 3.713 4.671 11.388 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 10.668 19.585 -13.881 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 -2.662 -1.596 4.125 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 -3.455 -1.551 -3.768 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 -13.111 10.487 -23.142 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 -4.912 -2.488 -2.104 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 -25.200 -0.621 18.353 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 24.204 1.905 3.988 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 -0.971 -1.140 0.640 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 -2.234 -10.131 -1.300 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 -2.194 -10.088 -1.269 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 -5.796 -2.372 -0.585 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 -10.978 -9.692 1.979 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 20.944 -3.861 15.756 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 -3.276 2.082 7.131 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 6.148 15.180 7.293 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 2.691 -2.898 -2.462 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 -0.329 -2.401 -0.395 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 -10.508 -13.612 -10.564 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 16.380 19.006 6.113 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 -8.989 -2.922 -7.107 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 0.038 14.256 -22.709 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 -5.887 -2.716 -1.375 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 1.125 -3.708 1.811 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 14.190 -18.770 -12.157 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 -0.018 -3.933 -7.268 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 -1.034 -1.618 6.002 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 24.761 14.150 -18.224 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 -9.574 -11.142 16.564 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 -1.380 -0.812 -1.799 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 -2.407 -8.297 15.194 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 10.438 -8.055 7.315 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 -4.529 0.105 -3.594 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 5.100 -3.896 12.872 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 0.357 -19.327 -17.318 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 2.196 -5.701 -4.624 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 3.777 5.431 5.608 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 0.244 -10.856 -8.336 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 -3.720 2.797 -3.526 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 -5.395 1.044 13.872 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 13.500 -8.000 -7.384 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 -10.210 0.745 3.436 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 10.126 5.731 -1.651 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 -21.891 6.400 -13.377 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 3.515 1.482 -0.235 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 6.550 6.628 10.863 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 3.036 10.973 -10.331 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 8.343 -0.665 2.528 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 32.068 7.196 4.944 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 -29.486 6.822 -1.585 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 2.552 2.109 -5.310 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 -4.357 13.145 3.634 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 -9.064 5.453 -7.774 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 6.137 3.578 4.208 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 11.939 3.817 1.824 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 2.528 -0.538 2.437 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 -0.538 0.710 -2.000 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 3.612 -0.569 5.577 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 -11.448 3.421 0.328 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 0.984 -4.239 0.436 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 -7.801 5.516 -5.237 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 10.311 -23.598 14.761 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 -0.443 4.665 0.749 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 2.883 3.342 -6.371 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 2.066 4.673 -0.410 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 0.599 -2.733 -0.076 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 -25.919 -17.116 19.149 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 10.570 1.144 -9.153 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 -0.761 5.461 0.180 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 5.728 -11.103 11.229 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 8.238 25.887 18.586 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 -2.185 -3.442 -1.307 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 -7.589 31.228 -5.650 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 27.513 -1.983 4.785 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 0.407 -0.498 -2.608 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 19.586 -12.847 -1.985 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 12.310 -3.620 6.657 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 6.633 5.948 -3.936 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 2.563 0.319 2.525 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 -28.084 -3.463 -14.443 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 3.061 2.414 2.241 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 8.497 13.514 6.677 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 -0.867 8.187 5.531 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 -5.711 4.194 -8.920 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 -10.113 0.727 13.307 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 -0.868 -3.040 -17.072 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 2.875 0.910 1.742 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 -8.503 10.049 -9.532 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 6.062 1.172 -5.383 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 -2.260 1.628 -1.741 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 0.349 5.680 7.897 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 10.731 -4.035 0.117 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 -4.740 11.747 -1.428 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 17.436 -17.175 0.274 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 -17.092 26.186 -6.783 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 -7.037 -5.963 1.325 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 -6.528 -4.289 1.769 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 -7.439 -8.999 0.819 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 1.207 3.909 2.396 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 20.900 8.615 13.510 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 -5.686 -1.883 -0.273 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 0.225 7.604 -6.997 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 4.770 -12.330 -4.038 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 -19.760 6.444 -9.272 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 -4.636 6.014 1.025 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 0.675 -15.609 12.858 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 15.275 4.758 10.122 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 1.069 -2.359 -3.433 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 25.221 -39.773 -26.578 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 2.709 -6.037 7.426 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 0.689 -1.153 3.635 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 17.787 2.278 -3.336 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 -14.100 11.069 -15.214 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 1.009 2.156 -2.989 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 28.012 8.428 -3.180 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 -4.715 -2.428 -9.246 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 -5.000 2.514 -0.708 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 -18.989 2.216 5.044 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 21.859 2.701 -10.324 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 -1.599 -3.497 -1.864 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 -0.636 0.433 0.032 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 -8.180 -21.950 20.244 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 -0.287 2.222 0.582 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 3.474 18.644 4.614 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 -11.111 2.949 4.489 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 -0.300 -1.274 -0.403 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 1.305 13.295 0.382 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 4.818 5.834 -33.413 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 5.291 5.591 -1.420 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 2.352 42.326 18.809 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 -2.449 -9.893 6.338 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 -3.041 2.551 2.551 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 -8.842 26.965 22.867 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 7.560 9.066 -6.460 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 2.023 4.312 -3.035 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 12.543 25.537 -3.130 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 2.388 9.900 0.015 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 -3.376 1.074 0.215 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 16.553 28.186 1.098 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 -0.136 14.258 -1.003 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 -3.193 2.518 3.660 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 -6.692 7.449 11.437 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 -4.579 14.240 6.781 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 -3.146 4.229 -3.036 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 10.269 14.988 -2.674 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 0.307 11.194 5.706 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 3.307 2.184 0.866 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 0.227 -4.209 -2.528 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 17.678 15.630 -9.969 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 -3.432 4.499 0.557 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 -15.488 -11.288 6.860 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 -5.758 2.166 0.192 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 1.116 4.849 -1.552 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 -5.662 2.035 -2.991 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 2.259 2.259 -9.466 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 3.401 6.760 -5.441 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 -2.122 4.529 -8.497 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 5.027 -3.611 4.205 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 1.636 -4.995 0.616 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 5.670 -2.813 9.825 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 0.849 5.333 -3.569 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 -2.313 -4.724 2.902 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 14.284 -5.127 6.783 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 3.682 10.148 -12.009 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 -7.123 5.463 1.063 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 -18.099 7.933 13.583 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 -1.055 9.687 6.671 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 0.621 -3.857 -2.953 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 14.412 4.395 5.255 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 -0.326 3.369 -0.134 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 -2.238 -1.629 -0.568 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 -8.688 -2.619 -2.005 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 -4.579 -9.257 -10.953 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 4.827 -0.828 -0.790 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 15.312 -0.131 0.202 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 7.155 -3.388 8.685 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 0.152 1.109 -3.306 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 5.459 -5.873 -3.129 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 -6.143 20.792 -13.200 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 3.130 1.962 2.733 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 14.078 -12.145 3.800 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 -6.510 -3.780 -2.991 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 -9.484 -0.818 -0.138 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 -15.540 3.700 8.203 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 -21.683 12.330 -0.122 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 -0.500 1.581 -0.600 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 -5.382 11.485 9.689 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 -0.272 -14.510 7.312 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 2.226 3.709 2.051 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 -6.363 2.673 16.377 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 12.294 22.375 -3.297 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 9.636 -4.202 -6.220 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 4.514 0.047 -19.987 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 -2.857 -5.618 -13.742 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 1.949 -1.917 1.534 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 -0.231 -7.750 -3.263 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 8.113 5.552 -2.898 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 1.346 -1.188 -1.501 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 -3.332 0.058 6.090 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 -11.008 -9.604 14.148 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 -4.044 1.178 -1.209 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 7.580 5.694 -4.660 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 -16.807 -3.511 3.887 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 -4.559 1.368 -3.015 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 -6.499 6.089 -3.601 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 -5.489 3.730 -2.256 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 -0.396 -7.051 2.502 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 4.155 1.976 7.701 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 -7.888 -3.108 -2.432 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 -5.152 -2.267 2.177 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 -1.371 -2.813 5.870 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 1.080 -5.282 -1.714 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 -0.255 1.990 -2.666 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 3.863 -11.610 5.708 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 2.078 15.917 7.810 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 -3.166 -2.237 7.094 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 25.505 -9.782 21.950 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 -12.263 -16.169 -3.717 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 -2.751 -1.954 -1.777 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 -17.203 -3.439 -5.391 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 8.385 4.377 -2.792 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 3.229 3.101 2.268 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 25.364 -7.238 -16.654 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 1.052 1.438 29.919 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 -1.899 3.259 0.142 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 -19.406 19.276 14.946 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 4.234 2.018 4.779 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 0.421 0.919 -4.140 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 6.761 -8.126 -10.337 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 -2.039 -4.339 6.466 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 0.247 2.123 0.060 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 -1.155 4.329 -3.827 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 -9.690 -4.453 7.149 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 0.728 2.598 3.628 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 -12.578 9.981 -10.998 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 -24.142 0.290 2.490 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 0.326 -0.055 0.201 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 0.869 -2.742 3.174 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 -7.033 -3.540 0.374 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 1.864 -5.128 2.054 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 -7.657 -12.768 11.583 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 -6.284 -10.597 17.628 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 0.972 2.445 9.908 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 -2.121 16.214 8.512 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 -6.936 -11.412 -9.785 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 -2.600 2.051 0.220 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 -4.617 7.530 13.020 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 -4.456 -5.661 8.355 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 -2.707 -0.279 3.733 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 -10.666 27.822 18.054 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 -17.164 -16.554 -9.420 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 2.892 -4.808 0.427 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 -0.188 -2.055 1.580 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 4.497 -1.396 -32.260 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 3.214 1.899 -6.366 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 4.354 -1.055 5.145 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 3.209 4.901 -7.693 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 2.492 -5.049 0.911 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 -10.155 -11.015 0.151 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 2.670 3.157 11.592 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 8.838 0.579 1.475 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 9.476 -15.575 1.646 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 8.357 -10.892 -13.468 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 3.143 6.965 -1.142 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 12.615 -0.683 -16.186 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 -2.246 25.510 -4.448 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 -1.836 -0.645 4.102 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 13.367 6.841 -1.214 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 1.159 -5.446 -6.853 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 -2.584 5.184 3.617 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 -4.408 -15.462 -2.413 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 -13.502 -6.075 -21.058 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 5.210 3.761 -0.810 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 2.403 5.681 -6.748 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 -39.012 4.829 3.949 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 -1.318 -1.863 -1.026 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 -3.966 23.440 -12.649 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 -3.279 4.427 -6.571 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 0.999 2.889 6.140 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 -9.393 -2.854 10.630 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 10.243 -9.920 9.829 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 -5.969 -6.821 3.650 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 15.808 -3.938 6.499 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 -5.683 -8.212 5.108 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 -0.801 -1.146 3.041 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 2.392 7.373 -2.940 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 6.334 21.193 -12.531 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 1.586 1.371 2.939 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 -1.879 8.531 -8.806 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 -12.329 -1.886 11.036 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 9.296 4.873 -1.235 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 5.978 6.524 17.453 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 12.132 4.586 -12.315 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 1.470 -4.223 -2.464 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 11.307 -3.974 -0.358 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 -13.267 -6.271 -7.109 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 -2.350 -0.012 -0.854 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 7.876 -3.370 12.553 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 6.534 12.482 -10.737 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 -3.129 -2.043 -2.172 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 1.439 -8.659 -6.357 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 2.633 -13.313 -7.472 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 -0.318 1.601 2.089 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 3.958 5.298 -11.830 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 -1.652 0.910 5.797 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 1.277 3.537 -3.244 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 -15.717 -4.038 -8.557 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 4.638 -10.286 0.100 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 -3.250 -5.148 -4.947 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 4.560 -14.992 9.324 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 0.323 4.139 -10.925 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 4.756 1.014 -0.886 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 -15.461 -6.596 15.345 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 -12.173 2.787 -15.551 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 2.843 3.725 -3.494 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 5.597 20.924 -5.910 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 4.279 11.195 -4.805 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 -2.666 4.005 -0.852 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 17.801 3.128 12.759 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 -0.348 -27.116 -16.973 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 0.446 3.344 -0.249 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 -1.593 2.839 4.136 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 7.811 -1.577 6.434 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 -0.433 -3.301 -6.433 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 -2.215 -10.849 13.237 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 -2.645 -5.273 -21.204 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 5.359 4.733 3.044 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 7.936 -3.983 10.365 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 7.853 12.047 -6.784 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 -0.388 3.112 3.052 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 -2.365 12.430 -10.991 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 0.700 22.441 -6.676 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 -1.712 0.498 1.832 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 -7.492 26.388 -9.884 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 2.190 14.472 21.728 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 -5.279 -0.522 -4.224 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 -7.454 -2.596 -2.022 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 3.757 1.473 -0.942 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 -1.515 2.327 3.148 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 20.642 7.271 4.439 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 10.010 3.456 -1.012 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 0.379 -3.174 -4.107 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 2.058 -9.791 9.890 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 -3.866 17.981 -17.299 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 -6.950 -0.229 3.580 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 -18.095 -3.000 1.041 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 -3.330 1.164 7.907 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 0.416 -6.425 4.126 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 1.876 -6.133 3.887 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 2.131 -12.993 8.226 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 2.779 4.263 1.839 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 7.235 4.645 0.024 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 -1.747 12.417 -15.608 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 -1.316 2.925 5.196 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 -22.600 -5.031 24.265 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 -0.271 -2.585 -0.477 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 -0.998 -5.163 3.288 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 -3.864 -3.681 3.400 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 -1.547 -8.512 2.644 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 4.713 -4.063 -2.054 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 15.161 3.569 -2.062 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 1.453 -17.886 -26.498 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 3.089 -6.376 -4.757 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 -9.953 9.613 -0.573 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 3.112 7.369 -1.795 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 2.977 7.070 1.040 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 -6.864 -1.063 2.612 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 13.610 0.989 2.660 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 0.314 4.764 1.331 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 -4.453 16.984 8.383 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 9.589 -1.540 11.370 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 -5.732 4.435 3.360 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 -4.718 -1.383 6.204 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 -7.873 14.592 -4.644 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 3.040 0.148 -2.012 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 25.838 1.267 11.619 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 4.196 -5.807 -6.564 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 1.705 0.224 -1.557 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 12.321 2.671 13.593 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 10.784 -7.280 -12.904 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 0.657 -7.619 7.931 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 -3.306 -2.545 13.570 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 3.360 -3.216 1.104 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 0.432 -2.361 -2.590 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 -3.530 -15.507 -1.936 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 -14.615 0.384 7.574 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 2.601 -0.176 -1.283 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 5.761 7.703 -3.064 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 1.275 -11.199 -12.063 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 -3.754 -4.574 -2.207 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 -9.402 -17.387 4.991 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 15.178 -14.401 -15.447 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 -3.604 4.942 6.580 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 -2.026 25.880 -3.128 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 -3.382 -0.089 -0.774 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 0.008 -1.582 0.222 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 -10.006 -0.232 -1.058 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 -12.004 17.938 25.090 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 -1.664 -7.541 0.513 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 6.603 -15.400 6.619 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 5.838 14.564 11.320 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 0.515 -0.290 -10.991 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 -3.025 0.936 -19.715 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 -9.579 -4.340 -8.285 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 -6.553 -4.467 5.143 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 7.775 3.113 -4.096 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 -13.317 -10.031 20.797 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 -1.434 1.126 0.438 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 3.077 10.738 8.538 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 9.601 -12.616 -1.070 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 -5.743 -3.232 -4.588 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 -14.838 23.594 16.491 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 -13.032 -9.043 -6.193 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 4.744 -1.247 -4.180 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 17.546 -9.737 -6.045 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 -15.861 15.867 3.265 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 -1.025 -3.673 -5.032 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 4.392 -2.531 6.664 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 -12.181 -5.716 -0.332 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 -0.969 4.338 0.634 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 0.112 4.808 6.762 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 3.383 -0.040 -27.265 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 2.510 -2.900 -1.936 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 -26.180 -10.399 -15.100 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 1.639 31.007 -13.533 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 -2.697 1.605 2.339 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 9.072 -6.948 -19.798 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 -8.734 -10.209 0.925 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 3.110 2.100 -1.095 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 5.500 -1.526 -12.332 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 -0.144 1.800 17.474 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 3.676 4.228 -2.022 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 6.356 21.816 0.042 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 -9.340 7.016 0.173 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 -1.228 -1.927 -2.159 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 11.995 -2.946 1.297 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 21.878 -3.709 3.689 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 2.004 -0.193 8.789 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 13.131 6.980 -1.524 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 7.388 10.232 19.889 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 -3.056 -4.934 0.991 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 14.044 -17.055 15.795 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 13.404 -1.400 -19.669 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 -4.238 0.337 3.498 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 1.900 -4.852 4.835 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 6.895 -10.548 1.604 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 -1.454 -2.545 4.469 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 15.724 5.904 19.935 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 -22.968 3.069 17.215 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 0.405 0.463 -4.449 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 15.873 -0.117 -2.699 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 8.073 -4.587 -9.826 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 0.650 0.529 2.454 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 22.445 13.726 -1.907 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 22.704 -5.338 -5.763 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 9.076 1.918 -0.183 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 -4.170 13.774 -11.476 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 19.830 14.858 -7.390 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 0.379 -4.216 4.151 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 -14.694 9.597 -31.406 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 31.165 3.645 12.573 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 -1.599 -5.540 -3.402 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 14.445 -16.161 -9.648 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 18.338 18.799 -10.041 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 4.429 5.032 -7.376 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 -10.670 1.827 -13.932 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 2.470 -4.194 -5.574 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 1.350 -4.300 -5.064 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 -4.715 -10.103 6.174 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 -0.931 -9.914 14.301 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 3.953 2.388 4.330 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 -23.711 13.366 19.150 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 25.564 -16.409 -11.872 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 0.876 -6.257 -0.170 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 -0.904 0.028 -5.838 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 -19.685 -5.348 20.947 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 -0.761 0.738 6.532 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 -3.633 -31.036 -21.851 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 -15.791 24.251 17.432 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 -3.031 0.376 -5.930 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 -2.920 17.780 2.927 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 11.734 13.273 -1.646 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 2.061 -0.233 5.071 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 11.532 -1.567 6.511 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 -11.833 -6.729 10.712 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 3.378 0.617 -0.183 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 1.855 -12.442 2.738 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 10.750 1.453 -11.068 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 -5.348 -2.486 0.816 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 -1.101 11.114 5.719 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 9.903 -17.099 -14.015 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 -0.069 -9.018 -0.672 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 -8.110 -12.091 2.229 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 2.263 -0.825 -5.100 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 5.131 4.817 -5.352 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 0.348 27.003 -16.408 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 23.473 7.801 0.267 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 -7.448 -6.861 0.684 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 -1.555 5.400 -1.031 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 -4.254 -4.978 8.063 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 2.399 -4.595 -0.199 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 -2.890 -12.071 1.361 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 5.961 -3.535 -10.200 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 -4.999 8.144 -2.784 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 10.411 14.600 5.278 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 4.127 -0.708 -2.951 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 -1.669 2.215 1.962 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 -22.957 -7.694 24.489 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 -13.827 8.656 -10.564 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 2.617 3.236 -1.430 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 5.405 18.618 7.520 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 -0.282 7.159 -18.938 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 -3.196 2.445 4.926 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 -10.266 10.432 15.815 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 -2.398 9.040 -4.253 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 6.834 8.901 1.703 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 8.340 7.932 -0.722 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 3.485 5.144 4.793 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 2.399 -3.967 -3.390 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 -6.314 2.036 -9.101 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 12.285 0.648 -10.785 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 -0.302 -0.365 4.051 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 -1.772 5.214 3.790 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 16.945 -12.663 3.986 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 0.896 0.451 -2.185 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 -3.253 -5.908 -12.309 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 5.355 -8.910 3.607 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 -5.730 -2.835 3.430 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 4.187 -2.761 7.673 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 -7.820 -5.099 5.811 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 3.741 0.070 2.006 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 8.129 17.687 17.740 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 -7.036 -19.773 6.180 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 -1.977 -1.661 -1.776 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 5.283 -10.979 11.015 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 4.345 6.146 -3.061 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 1.052 2.747 3.299 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 1.199 -6.294 5.472 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 -8.962 -0.404 3.450 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 -2.129 0.598 -2.121 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 5.703 7.702 -0.989 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 10.060 0.020 -4.754 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 -3.866 9.406 5.200 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 2.802 25.164 9.599 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 9.939 -9.168 21.741 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 -0.001 3.405 -2.476 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 -0.762 7.632 0.214 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 3.236 4.160 -7.237 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 -2.110 -6.993 4.350 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 5.385 -12.193 -3.740 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 -3.674 -14.131 12.313 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 -3.506 -9.695 5.287 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 -14.640 -7.970 12.479 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 -1.551 2.430 18.889 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 -1.873 -0.899 2.198 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 20.599 -15.508 0.475 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 -5.043 -4.548 -24.566 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 6.602 -2.575 0.237 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 15.076 -9.786 19.303 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 11.543 -10.601 -12.968 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 4.960 -4.234 0.362 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 5.942 -9.858 3.052 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 -12.272 7.983 3.937 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 -3.440 1.851 0.004 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 19.385 -6.801 18.513 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 9.845 -0.873 13.898 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 2.095 1.201 -3.158 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 18.821 -14.487 9.059 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 1.526 30.350 -24.557 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 4.222 -7.397 5.798 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 14.657 -10.995 -7.143 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 -7.681 -2.847 -0.562 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 -4.893 1.103 3.604 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 3.392 -4.441 -19.676 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 -10.485 4.356 3.628 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 4.716 -3.716 3.860 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 0.706 -21.483 10.558 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 10.995 9.968 -12.569 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 -2.737 -0.567 3.275 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 -12.370 -5.718 6.417 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 -4.433 -1.169 -6.534 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 -2.151 -2.957 -2.808 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 -1.966 0.855 4.886 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 -4.834 -21.074 -34.333 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 -0.296 1.792 2.959 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 6.087 -5.308 14.498 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 -9.845 11.335 9.269 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 3.564 2.066 5.096 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 5.637 12.777 -2.324 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 10.103 2.475 -5.468 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 -3.476 2.960 -0.545 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 1.408 11.653 -7.588 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 5.006 18.520 -19.360 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 -3.241 -1.848 3.844 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 20.869 9.777 47.672 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 -0.379 -0.998 3.131 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 -4.153 -8.899 8.065 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 0.097 14.485 1.294 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 -8.125 -14.240 12.656 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -1.737 -0.944 -0.271 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 -10.251 -3.350 -10.269 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 4.972 -8.391 11.264 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 -2.275 -1.050 -1.549 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 22.819 10.562 -5.510 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 12.935 -6.457 -10.230 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 -4.152 0.413 -8.215 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 -14.095 19.435 1.188 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 3.545 -9.360 5.527 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 -4.565 -4.117 3.040 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 0.806 -3.092 7.005 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 0.204 6.750 -12.684 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 0.713 -2.190 0.628 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 1.091 13.529 7.519 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 -15.469 4.093 -8.961 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 1.735 -1.820 -0.440 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 8.016 22.216 -1.643 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 -2.639 9.783 4.909 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 3.228 3.242 -3.814 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 2.615 2.927 -4.421 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 12.831 5.161 7.375 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 -2.997 0.375 -2.547 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 5.938 -0.990 0.753 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 -9.498 -7.128 4.363 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 -0.800 6.708 0.252 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 -1.018 11.835 -2.915 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 3.150 -10.664 8.682 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 -2.505 -0.336 -3.680 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 -5.081 3.961 -4.373 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 6.729 2.997 -24.797 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 -1.272 4.249 2.889 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 21.643 0.511 1.103 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 -2.492 1.604 5.640 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 4.607 -7.163 2.133 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 -5.633 -12.757 -0.867 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 -32.612 -11.306 -10.952 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 -2.915 3.990 -3.378 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 -16.079 10.250 -9.363 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 3.272 1.283 -3.473 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 -4.386 -0.081 4.140 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 -13.380 11.427 21.550 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 11.915 -16.581 12.181 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 0.294 1.334 1.967 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 2.396 13.486 -0.814 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 -6.048 1.913 11.858 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 -3.850 -3.645 0.434 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 -4.718 -8.675 11.685 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 -7.406 -13.464 -5.022 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 1.489 -4.093 -0.773 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 -8.436 -6.103 7.193 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 0.871 -0.488 -0.699 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 -1.720 0.495 -4.647 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 16.175 -32.560 2.517 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 -20.209 24.248 -3.196 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 -2.167 -0.859 -5.400 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 -3.425 1.824 -0.434 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 2.254 0.919 -8.262 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 4.215 1.263 7.205 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 -0.399 1.985 12.038 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 19.767 4.689 -9.935 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 -8.729 -0.136 -4.374 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 7.139 -1.976 10.630 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 3.098 20.814 -20.287 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 5.484 1.622 -1.110 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 13.748 -9.586 2.927 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 0.281 6.964 -5.697 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 -1.244 -6.082 4.085 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 3.893 -3.340 2.302 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 29.899 5.121 3.626 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 4.134 0.394 -5.998 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 7.659 4.481 -10.957 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 -3.316 -7.975 2.994 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 -2.002 5.169 5.372 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 7.541 6.516 11.779 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 0.734 2.686 -6.942 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 0.817 -9.979 -0.107 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 -13.146 -16.808 -9.268 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 5.480 -6.147 20.949 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 -0.766 10.467 -2.147 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 -1.720 5.884 3.384 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 1.726 -5.360 -8.097 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 0.449 2.011 5.095 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 -5.680 15.954 22.109 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 -25.343 14.320 2.184 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 2.520 6.254 -5.282 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 28.967 -2.051 -7.713 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 19.804 2.918 -0.198 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 -0.692 3.927 -2.586 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 2.496 16.821 4.484 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 -16.375 21.279 4.005 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 3.230 -1.176 5.095 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 -3.585 19.075 -9.265 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 2.034 0.526 -11.439 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 -1.101 7.838 1.142 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 -32.316 6.699 9.949 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 7.590 -4.867 -15.879 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 0.549 -2.343 -4.832 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 38.214 -18.246 18.523 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 -29.312 15.856 18.442 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 1.533 2.286 -0.940 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 -10.235 16.543 -7.291 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 -3.903 11.510 17.178 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 0.429 -1.050 2.220 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 21.292 -8.695 -9.352 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 3.648 10.911 -16.408 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 1.741 5.318 -6.955 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 14.291 8.648 15.300 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 18.886 13.111 -25.208 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 -1.191 -2.994 8.081 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 -11.944 -6.197 2.031 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 -8.547 15.785 5.131 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 -3.627 5.700 2.610 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 -8.261 15.220 -11.830 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 -20.541 16.183 -28.308 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 3.303 1.936 1.460 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 -7.043 -1.240 -6.626 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 12.036 -4.292 -8.696 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 -4.837 1.941 6.631 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 -1.553 -6.147 -21.250 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 12.497 16.846 9.664 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 4.110 3.520 1.955 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 -13.714 -28.158 25.253 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 -22.404 22.578 -3.325 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 0.417 -0.417 1.662 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 2.819 -1.981 14.162 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 -3.241 0.561 -7.149 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 -2.003 4.310 1.997 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 2.839 -7.836 -2.989 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 3.664 -26.442 10.540 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 1.928 -0.274 6.751 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 4.437 1.098 7.997 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 -8.917 6.000 -15.179 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 4.780 0.405 -5.601 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 15.307 -2.632 -4.863 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 -2.796 2.371 -5.892 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 6.162 -2.286 -0.191 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 0.490 9.880 15.542 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 4.483 -7.744 0.955 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 -2.361 12.669 -0.279 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 -0.483 11.470 -7.954 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 -10.795 15.229 4.390 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 -1.557 6.461 -3.101 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 10.587 13.545 -6.977 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 0.271 4.309 -6.987 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 3.321 -6.077 3.384 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 2.940 -16.364 -3.067 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 12.393 2.450 16.870 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 5.049 1.168 -0.991 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 0.055 3.849 -8.533 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 1.875 -8.521 2.780 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 -1.222 -1.488 3.888 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 28.370 9.304 9.759 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 -18.133 6.774 -7.857 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 2.056 3.146 -0.316 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 1.679 1.388 -1.726 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 5.645 10.349 4.438 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 3.541 7.978 7.470 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 17.220 14.547 -0.935 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 -1.230 -3.817 5.274 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 -2.669 0.777 -2.333 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 -6.783 -9.030 6.230 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 -3.625 -6.353 4.008 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 6.265 -1.487 0.402 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 8.743 9.833 -23.852 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 -18.583 1.749 7.250 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 -3.231 -1.020 3.333 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 -8.478 -3.925 -20.312 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 2.383 -22.176 10.799 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 -0.822 -0.103 -3.331 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 -6.025 -10.747 -1.624 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 -4.377 -5.915 -2.599 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 -2.042 1.503 5.399 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 -6.675 -4.675 8.504 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 14.635 7.180 -11.736 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 0.064 4.599 -2.744 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 -4.902 5.752 5.743 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 6.979 3.506 -11.716 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 5.691 -8.029 3.313 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 -4.320 7.042 -1.020 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 2.047 -4.240 7.477 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 -0.722 1.584 4.321 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 -1.151 2.485 7.728 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 -6.711 3.620 7.294 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 3.190 -0.603 6.981 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 -1.767 -8.633 4.787 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 0.362 -4.038 6.636 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 3.536 5.130 3.228 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 -13.681 -4.838 0.885 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 12.180 0.724 23.784 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 -2.676 -1.254 -1.934 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 -7.529 22.197 -7.613 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 -4.727 -8.799 1.932 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 -7.742 -2.404 -3.049 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 -7.475 -14.587 -11.699 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 -7.879 -5.764 8.250 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 -0.107 1.067 7.364 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 -3.622 -4.547 4.884 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 -1.647 1.583 13.029 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 -2.997 -7.034 -1.310 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 -5.160 -10.795 0.713 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 14.893 -3.560 3.319 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 -0.885 2.581 -2.898 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 -9.783 -18.508 -2.988 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 6.782 -16.796 -6.987 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 11.457 0.365 6.488 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 18.409 -6.676 1.158 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 10.188 -0.023 13.503 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 -2.974 0.044 -2.810 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 -2.165 3.544 -2.386 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 -1.267 7.082 -1.969 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 0.211 -1.748 7.425 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 6.416 0.502 16.166 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 15.189 7.097 12.954 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 -2.479 1.221 -0.899 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 -2.442 -3.624 7.544 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 -3.430 -2.381 4.112 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 7.850 -1.506 0.080 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 14.550 0.344 -6.965 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 5.991 7.385 4.732 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 -0.696 -0.800 2.119 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 9.058 24.643 -14.265 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 -0.833 2.639 5.036 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 -0.864 -0.895 -5.516 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 10.388 -6.709 -3.877 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 -17.504 4.443 -15.611 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -2.772 6.746 2.795 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 7.577 19.799 -2.077 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 1.404 2.435 -0.301 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 -3.537 0.852 -3.868 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 -3.910 -0.398 -6.173 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 -8.165 -1.007 -11.246 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 -0.553 -0.152 -0.983 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 -5.173 -2.098 -3.411 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 7.351 -5.582 6.185 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 4.515 -2.826 5.044 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 13.498 30.679 -10.376 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 3.423 2.504 -9.978 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 -3.901 3.845 -6.631 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 9.457 -2.709 -10.389 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 7.958 -13.749 -0.662 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 -5.062 0.122 0.070 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 0.662 -2.356 -30.653 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 -6.260 -8.984 -16.789 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 -5.137 1.582 -4.477 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 26.939 3.970 -6.691 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 -12.397 -16.183 18.612 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 -3.885 2.389 5.193 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 -6.248 -6.878 9.809 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 -1.608 9.564 15.572 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 3.014 -0.405 4.230 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 -18.455 -2.024 -8.556 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 -19.475 0.753 -5.841 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 -0.032 -5.715 2.146 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 -0.426 -7.349 4.278 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 14.150 -3.511 -11.768 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 3.932 0.853 -0.587 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 23.789 20.714 6.733 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 11.897 -4.281 -20.003 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 -4.640 5.526 4.734 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 -5.379 -3.815 2.230 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 5.293 6.576 8.302 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 -3.080 0.887 2.434 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 12.340 12.181 1.937 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 7.076 -3.640 31.891 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 -4.562 -7.016 4.771 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 -24.566 -17.906 10.380 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 7.347 20.546 4.018 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 3.430 -4.085 -1.472 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 32.680 8.219 8.583 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 -11.600 -19.913 31.615 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 13.634 -2.286 0.218 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 11.464 -8.852 0.997 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 8.342 -2.237 6.810 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 -0.710 -5.581 0.069 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 2.615 -14.906 -3.013 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 -5.241 0.066 14.260 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 -2.276 -3.744 -1.189 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 -5.490 -2.527 -3.163 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 5.005 13.755 9.311 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 3.982 2.328 -6.327 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 7.165 -9.879 2.722 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 1.173 4.514 -15.826 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 1.735 2.660 -0.610 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 -4.173 -4.819 -6.820 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 -6.811 1.261 -0.551 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 5.210 0.449 3.403 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 5.342 -2.599 -3.784 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 3.687 -7.123 1.336 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 -9.145 -3.011 -3.138 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 9.537 14.998 8.807 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 -1.429 5.772 3.700 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 7.067 -1.702 -4.790 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 6.883 -13.570 -5.053 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 6.198 2.248 4.374 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 3.962 -2.223 -0.470 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 -4.441 -2.084 5.952 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 -6.715 -4.391 1.988 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 0.524 0.354 12.649 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 6.050 6.395 5.496 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 -25.547 8.577 -2.928 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 3.996 -6.039 3.928 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 -0.228 -6.005 -11.478 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 2.362 -9.195 10.246 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 -3.377 -0.981 1.958 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 -4.046 -1.096 8.596 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 4.818 20.161 2.075 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 -3.924 -0.974 -2.772 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 1.833 -1.997 -5.033 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 -7.325 -1.466 -15.437 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 7.166 5.276 -1.365 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 -1.040 21.881 -1.253 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 -23.903 5.255 -25.480 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 7.058 3.985 -5.025 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 -9.431 1.508 8.672 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 -1.533 7.149 -8.024 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 1.828 -2.268 -3.643 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 -2.593 -6.542 10.970 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 -6.026 16.832 -8.749 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 0.198 5.643 -0.456 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 -2.630 9.441 -12.466 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 -5.872 6.325 15.753 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 -3.237 5.315 3.005 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 0.549 0.907 -16.318 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 -28.551 8.452 -12.237 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 -3.941 5.657 3.216 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 -15.543 9.055 -6.643 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 6.445 -22.047 -9.839 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 2.062 -3.542 2.429 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 8.969 -8.732 1.382 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 -0.108 0.489 8.083 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 -6.818 4.312 4.255 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 -18.139 -2.137 5.887 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 9.127 16.585 10.476 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 -9.320 -1.311 10.686 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 -17.770 4.344 4.554 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 16.518 10.703 4.840 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 8.259 -7.231 -1.811 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 1.498 -1.767 2.435 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 -14.079 11.767 12.467 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 0.805 -2.284 -4.203 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 7.005 7.768 -13.063 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 -13.097 2.923 -9.816 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 4.198 3.560 3.236 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 4.503 1.742 -3.464 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 2.053 6.621 25.496 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 1.539 2.563 -0.672 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 2.901 1.036 -1.428 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 -23.673 -1.389 0.331 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 5.569 0.414 0.853 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 6.243 0.308 4.203 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 7.599 0.606 2.431 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 1.372 3.518 0.454 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 4.382 4.119 -2.814 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 -0.688 -0.025 0.364 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 -2.540 1.260 -2.498 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 1.498 -7.537 -5.830 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 11.057 -9.649 -0.490 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 -0.519 4.838 -1.371 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 -3.011 -9.690 -18.206 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 -1.710 -0.873 -7.071 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 2.996 -0.927 -2.796 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 -34.663 1.828 -18.603 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 -17.688 -8.847 1.648 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 3.254 0.464 5.964 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 -12.915 3.272 17.297 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 16.374 19.771 -4.482 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 -1.693 -2.095 4.377 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 12.867 0.923 11.279 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 -16.934 35.440 -5.878 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 1.565 -0.653 -0.239 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 4.664 -10.349 -0.674 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 11.859 -5.490 -20.418 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 4.616 1.584 2.322 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 -1.823 -14.300 22.069 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 3.842 4.461 -3.979 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 -0.200 -0.600 -4.732 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 -8.841 30.640 -3.363 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 5.892 11.219 18.494 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 4.560 -5.832 -3.065 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 -4.118 1.987 6.523 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 -5.281 -6.682 -4.857 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 1.300 0.411 -7.202 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 -12.304 7.445 -1.138 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 -19.913 20.886 2.786 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 -2.954 -8.087 1.232 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 -17.677 -15.143 1.663 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 -0.118 -1.059 -5.402 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 7.059 -3.519 -5.449 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 6.153 -1.314 -10.446 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 3.670 -4.008 -10.364 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 -1.665 -1.547 1.117 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 -0.397 6.292 3.642 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 -3.216 -1.140 0.613 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 -4.407 4.323 -1.583 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 8.926 -23.996 2.672 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 12.524 6.067 -9.197 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 0.498 -3.321 -0.096 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 3.618 -6.160 -9.738 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 5.195 -7.191 -15.007 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 -6.422 -0.921 -1.636 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 -3.386 8.250 -16.014 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 -10.377 2.096 8.500 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 -0.809 1.203 7.973 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 3.745 4.394 -0.223 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 -8.704 -3.592 4.137 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 1.719 -3.490 5.576 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 22.993 -13.400 10.077 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 3.346 5.556 -18.143 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 -3.934 -2.327 2.415 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 -6.634 -2.412 -0.305 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 -5.241 0.148 -2.713 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 -0.537 2.107 -6.874 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 9.351 1.674 -18.911 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 -2.593 15.694 -1.513 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 -8.523 0.308 0.192 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 -8.432 4.607 -2.735 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 -17.218 2.704 -10.672 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 2.419 0.180 -0.228 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 -4.762 0.459 11.361 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 10.891 0.811 1.023 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 3.098 -5.005 -1.530 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 -4.345 -6.707 -5.351 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 3.586 -8.991 -9.170 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 2.290 0.788 5.876 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 -6.187 -4.004 -6.134 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 -10.933 -14.842 -11.202 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 -0.462 6.654 -2.205 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 16.488 -18.208 -5.778 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 -5.614 -10.369 -24.409 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 1.500 -1.249 -0.180 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 -3.007 2.336 -8.785 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 8.207 -2.850 0.162 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 2.528 -6.404 3.849 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 -8.139 -1.313 1.512 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 -7.148 -12.799 -2.410 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 0.031 -2.188 1.478 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 -5.645 -9.087 -10.967 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 -8.140 -5.923 12.778 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 3.379 -0.130 4.207 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 4.113 1.799 10.170 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 -8.407 3.926 -13.021 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 -3.377 1.619 -4.576 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 20.625 4.406 -20.498 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 -7.645 -10.953 -9.865 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 -1.154 4.682 -1.820 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 6.592 2.907 -5.612 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 -0.100 5.936 -4.309 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 1.854 -2.259 -3.225 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 -5.542 -3.503 12.560 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 0.631 -21.896 11.360 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 4.839 4.220 4.358 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 -3.122 42.005 -9.133 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 1.527 19.468 1.788 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 5.755 -8.160 1.383 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 24.553 -5.797 5.972 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 -3.803 13.559 2.616 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 5.575 -2.654 1.092 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 9.222 -11.623 6.035 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 3.291 -6.578 1.393 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 -1.564 7.909 -8.845 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 -1.010 6.934 -4.282 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 -2.713 11.405 -9.937 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 3.534 3.860 -0.892 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 10.826 -5.968 5.015 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 -8.421 10.630 0.024 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 -1.124 -1.527 -5.426 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 -4.815 15.243 2.469 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 -6.542 -4.954 -5.929 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 -4.925 5.792 -2.878 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 11.378 3.851 0.777 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 2.145 1.608 -3.652 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 0.537 -1.156 1.812 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 17.602 -3.183 12.566 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 -7.415 -11.686 8.707 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 1.296 1.753 8.333 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 0.943 -6.832 -0.934 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 11.346 5.692 3.160 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 2.726 -11.764 -2.832 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 -20.933 0.811 -13.706 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 15.887 -3.589 27.688 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 -8.336 6.143 -2.123 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 10.355 8.782 -1.795 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 -28.802 16.913 9.993 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 2.994 -3.384 2.154 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 2.127 -14.214 1.172 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 11.785 2.475 0.830 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 0.430 2.861 2.818 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 2.754 2.470 5.020 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 -4.794 0.123 6.322 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 -4.457 1.727 -5.325 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 -5.418 4.971 -5.629 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 -3.128 -2.619 -3.853 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 -0.461 7.912 -8.749 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 -3.470 3.611 -0.027 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 2.621 30.078 -32.971 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 -0.565 -0.364 2.179 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 1.480 -8.395 3.294 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 3.690 6.480 -2.524 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 0.779 0.744 -3.432 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 4.689 -1.548 -12.666 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 8.021 -0.211 4.497 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 0.298 6.531 4.476 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 5.327 21.036 5.504 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 -5.788 -1.943 1.253 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 2.415 2.870 -2.538 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 1.208 17.424 -2.632 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 2.437 20.230 -3.081 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 -5.785 -1.782 2.685 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 -4.137 -9.108 -22.302 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 -18.333 -2.627 23.277 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 3.597 0.796 -4.601 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 -0.057 7.088 8.755 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 22.360 -7.523 -4.084 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 -2.288 1.126 2.130 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 -2.133 7.919 6.325 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 17.412 -4.583 7.888 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 -1.077 1.971 1.951 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 21.595 7.706 6.699 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 -10.647 -5.363 22.388 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 -3.256 2.824 -3.779 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 -27.023 -6.322 11.845 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 9.826 5.404 -12.072 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 5.481 -2.579 -0.706 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 -19.420 26.912 -6.690 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 13.197 -18.106 -6.297 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 2.037 -3.826 -0.359 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 -5.122 -1.998 4.850 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 8.969 -6.547 2.512 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 6.214 0.024 2.633 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 -8.849 0.468 -2.000 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 11.361 -0.844 0.013 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 -4.009 -1.471 -0.846 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 -16.118 -9.897 6.716 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 -4.801 -1.787 -7.561 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 -2.322 2.769 3.880 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 -6.056 8.259 4.652 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 -6.130 13.235 -0.443 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 2.575 0.493 -3.247 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 -1.529 -3.323 3.519 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 25.321 -16.026 -7.327 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 3.589 -0.711 3.096 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 9.556 10.404 -9.647 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 0.381 -15.290 -6.881 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 1.067 2.638 -1.582 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 -15.645 16.511 -17.126 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 0.188 -21.436 -11.181 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 3.912 2.523 1.630 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 17.336 -5.057 11.169 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 -2.733 -3.223 -17.256 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 -0.303 4.739 -2.068 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 3.530 21.034 -13.467 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 -7.834 13.692 15.481 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 0.641 6.591 -0.970 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 10.148 -2.673 -5.343 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 6.237 0.384 2.730 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 -5.579 -3.431 -2.485 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 2.800 -5.297 -1.666 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 37.263 -19.611 -0.208 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 4.479 5.114 -4.609 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 -3.334 2.806 6.168 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 9.207 14.457 -8.929 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 4.316 -3.307 0.809 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 6.437 5.429 13.247 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 -6.063 -1.269 -8.642 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 3.925 -9.119 -1.109 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 -40.308 8.477 5.555 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 -1.517 10.965 -7.285 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 3.288 4.978 -1.445 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 2.906 5.707 -11.161 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 14.776 15.076 -12.630 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 -2.070 -0.462 -9.301 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 -4.683 -1.937 -2.077 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 -12.977 -3.810 -7.897 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 0.007 3.499 3.634 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 1.358 8.775 8.503 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 -2.865 -1.853 5.678 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 -3.587 5.729 -5.917 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 -11.826 -8.034 3.512 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 10.688 3.231 -3.969 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 2.155 -2.673 -1.518 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 15.482 8.775 11.495 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 14.322 -24.813 -7.248 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 -3.027 3.049 -0.695 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 -10.430 1.508 -2.998 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 7.521 4.687 1.856 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 6.074 1.743 -0.093 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 14.061 13.688 5.486 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 25.054 -0.624 8.799 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 -1.476 -0.578 6.878 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 3.573 -6.113 -1.501 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 -1.601 -0.762 7.901 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 0.635 -6.117 3.387 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 -9.257 10.079 2.543 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 -12.030 -20.612 -0.590 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 1.942 1.211 1.862 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 -7.746 8.236 -14.638 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 0.578 2.943 -1.754 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 0.564 2.235 -6.024 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 -0.885 2.708 -4.398 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 -1.022 2.247 -8.364 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 -1.744 -1.293 5.376 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 -1.938 -12.733 0.378 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 6.092 4.015 -0.462 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 -1.188 0.438 -0.935 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 14.828 -3.137 -1.295 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 -9.356 5.942 10.918 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 4.970 -9.630 0.756 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 5.249 -14.572 -11.949 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 4.407 -13.523 10.323 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 -3.072 -0.460 -4.459 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 2.173 0.440 -1.026 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 -12.414 4.131 -10.222 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 -8.215 6.597 6.309 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 -17.906 -11.611 -16.070 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 -11.865 21.927 10.069 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 -7.339 1.830 3.712 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 -12.106 -4.313 1.093 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 16.802 16.601 22.829 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 -0.526 -0.753 -0.085 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 5.399 -12.634 -13.018 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 -8.538 11.522 -8.489 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 1.852 4.815 -4.608 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 -8.531 2.708 -9.209 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 11.146 12.048 13.416 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 0.669 2.526 2.785 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 4.711 -4.830 -12.666 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 -3.919 9.094 16.626 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 -1.117 -1.613 -0.680 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 -12.265 -11.700 -11.095 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 7.281 -15.357 -30.979 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 3.361 0.700 -0.203 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 -0.050 2.221 -0.439 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 7.235 -3.987 -6.069 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 -3.089 -2.750 3.110 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 -23.223 -4.978 -7.592 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 9.543 7.203 -1.280 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 2.830 -0.979 -0.371 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 -7.795 -0.167 -2.951 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 15.326 -2.640 6.120 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 0.771 -1.379 -5.721 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 -2.124 -3.486 1.591 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 5.365 -6.797 -8.583 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 -1.707 11.036 4.785 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 -19.754 7.340 23.427 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 18.330 9.304 14.145 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 -2.002 -7.694 2.956 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 2.958 -16.529 13.853 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 -15.959 1.550 7.466 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 -1.291 -4.278 1.058 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 -1.561 -3.029 0.101 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 4.558 -10.478 -20.707 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 5.134 -0.768 0.566 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 11.236 -30.918 -15.529 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 14.484 -5.884 -3.645 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 -6.385 -8.114 -5.353 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 4.881 7.736 -16.381 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 -27.996 25.194 17.586 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 -1.675 -1.659 5.370 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 17.307 -0.923 28.360 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 -25.846 15.168 16.409 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 -7.406 -3.235 -1.217 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 5.287 1.121 -5.534 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 3.704 -1.765 -3.492 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 7.496 8.520 -0.904 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 37.506 17.699 9.884 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 1.414 0.029 -3.783 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 0.706 7.655 -3.730 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 -11.967 -1.478 -11.163 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 -4.389 14.276 -22.966 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 -2.520 -0.711 -7.438 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 -8.452 12.714 -11.144 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 6.669 -0.572 1.540 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 -1.038 2.742 -3.843 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 4.548 1.605 4.338 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 -12.748 12.755 -17.514 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 1.751 -6.253 -3.560 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 5.950 6.573 -7.356 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 -2.052 -7.719 -10.079 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 -1.439 0.467 4.579 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 -12.596 6.595 4.209 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 -16.000 -10.748 2.820 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 -5.328 -0.279 0.600 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 26.688 -4.918 -4.386 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 -13.346 -15.842 -8.646 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 -1.665 -1.957 -2.201 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 3.799 -0.290 4.463 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 5.908 1.143 0.027 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 -1.356 0.126 1.640 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 -7.034 8.014 1.630 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 7.279 -5.760 -0.982 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 -1.688 0.087 -6.251 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 15.707 6.070 12.195 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 8.045 -2.935 5.261 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 -0.143 3.148 3.896 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 16.426 15.834 -7.238 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 -4.227 0.139 4.581 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 1.787 2.467 2.232 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 4.314 -7.209 -0.702 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 2.958 5.894 -6.992 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 4.736 1.036 -0.174 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 4.365 -0.372 -1.791 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 6.365 1.457 3.799 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 -0.235 6.592 -0.779 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 6.728 -3.091 -38.451 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 -14.956 -10.189 6.845 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 1.445 6.840 -5.139 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 0.952 9.688 -2.308 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 4.961 1.454 -7.118 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 1.948 0.989 7.012 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 -2.963 2.446 -0.024 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 -24.960 -0.780 -3.814 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 -5.059 -2.393 -4.429 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 -1.264 -14.844 -12.528 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 4.102 8.395 -0.877 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 -1.853 4.506 1.782 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 -10.912 4.333 3.475 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 2.888 5.273 -2.809 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 3.315 3.476 3.374 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 -7.454 19.005 1.716 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 5.790 11.919 16.550 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 -1.268 2.025 -0.912 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 -10.138 -1.869 3.150 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 -8.140 23.154 -0.051 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 0.437 -1.494 1.040 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 -10.194 5.526 12.996 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 -26.659 19.127 -0.434 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 -10.462 -6.451 1.087 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 -10.638 -21.674 -2.914 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 -13.380 16.156 30.507 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 6.039 -4.306 -0.428 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 -2.652 2.285 -5.851 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 -2.848 0.723 7.864 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 -0.796 -1.483 -5.121 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 0.438 -0.844 -16.625 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 -4.708 -12.967 -3.337 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 -4.881 1.973 -1.583 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -24.279 -5.775 1.865 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 6.746 -13.969 -4.864 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 -4.694 -1.060 2.463 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 -2.065 0.397 -9.825 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 3.514 14.566 -33.626 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 -0.906 -0.356 -2.143 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 7.922 1.350 17.161 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 2.467 -10.204 -9.360 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 6.213 -4.613 0.010 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 14.238 -23.346 7.589 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 18.656 -27.846 9.550 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 -2.549 -2.031 2.045 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 4.034 -13.819 -27.059 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 -0.357 -15.251 -1.071 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 2.163 -2.792 2.813 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 -3.323 26.801 9.352 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 6.823 1.734 -13.304 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 4.498 -3.039 3.453 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 7.812 18.833 -33.251 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 12.095 -10.934 29.767 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 3.661 1.754 0.796 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 25.183 8.025 -8.206 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 21.011 12.952 -21.472 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 -10.194 5.589 -4.498 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 -20.425 4.499 18.893 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 -7.833 4.593 -9.302 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 -0.319 1.802 6.416 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 12.108 10.953 -10.147 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 -1.413 12.422 -9.715 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 -6.612 -8.576 0.294 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 -7.472 -1.875 -11.433 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 4.815 4.853 -10.968 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 7.674 -6.428 2.254 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 25.539 21.724 -11.813 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 11.534 3.531 -10.719 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 -2.424 -0.870 -1.918 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 -4.332 -0.023 0.883 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 -1.120 -0.764 -5.037 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 2.752 2.015 -2.733 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 -1.769 -1.252 -3.405 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 12.722 0.119 3.636 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 5.271 1.803 1.835 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 10.857 -13.241 -8.253 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 -7.160 11.008 -4.363 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 -4.145 -2.167 2.133 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 -8.146 7.551 3.260 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 -10.699 -3.751 -5.708 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 -2.539 -4.460 6.135 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 -3.240 -4.410 7.400 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 -2.536 -6.117 6.096 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 0.948 -0.312 5.924 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 -11.224 -4.492 3.736 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 -11.771 -0.248 -3.543 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 -1.755 -9.244 -2.094 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 -3.542 -27.407 7.206 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 -22.419 13.012 13.185 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 2.183 1.296 6.701 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 2.932 -5.126 -2.055 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 4.065 -22.949 -0.766 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 6.509 2.321 1.380 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 8.771 -11.715 5.222 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 -8.859 11.170 1.589 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 -0.471 10.155 -0.624 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 -10.985 -5.300 -0.681 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 -0.275 14.044 -0.167 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 -0.513 -6.518 2.812 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 19.396 -3.179 9.373 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 -8.275 -10.608 -11.927 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 -2.099 2.462 0.187 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 13.751 -1.778 10.320 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 13.391 10.978 -10.348 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 3.832 4.187 0.146 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 -3.556 1.497 -4.010 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 -10.072 -4.275 7.915 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 5.136 -5.384 4.794 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 -3.726 -17.494 10.728 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 8.474 -9.818 -13.433 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 3.017 -0.827 -4.782 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 5.174 6.714 -1.401 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 -0.663 -11.783 -10.447 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 0.721 2.430 3.044 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 3.647 -1.002 4.403 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 16.186 1.987 4.514 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 0.828 -11.065 1.159 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 -9.715 4.911 7.748 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 -1.225 -8.639 6.033 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 0.822 2.150 -2.062 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 16.598 -12.268 19.899 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 -18.995 -21.996 -11.035 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 -3.908 -1.886 -0.110 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 -6.661 -6.202 3.137 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 -17.343 -15.782 20.044 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 0.761 -1.058 0.721 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 7.855 -0.810 -4.085 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 3.632 1.564 8.857 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 3.881 2.322 1.563 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 1.433 18.476 -20.028 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 -29.506 3.295 12.191 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 -3.702 3.074 -2.040 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 0.048 -9.639 6.117 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 -3.945 -4.906 6.833 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 4.985 9.023 -2.623 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 -2.458 -0.458 -1.071 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 5.524 -7.783 5.887 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 -0.280 -4.793 1.909 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 -4.734 -3.442 7.095 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 13.428 7.380 11.146 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 -2.293 5.239 -7.090 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 -20.041 -4.992 -24.077 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 -12.334 -33.068 15.744 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 5.140 4.035 1.384 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 25.703 -24.847 15.819 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 1.087 18.769 -14.157 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 0.397 1.280 -8.227 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 15.206 9.595 -7.227 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 -3.774 -5.838 5.514 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 -5.767 6.484 -2.136 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 13.163 -13.833 -18.250 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 -9.664 5.034 1.402 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 -1.274 -0.205 1.741 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 1.681 -3.281 -7.487 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 -20.647 -7.632 -13.631 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 2.733 0.789 -0.624 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 0.613 -6.713 -7.827 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 9.936 0.392 -6.928 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 -1.299 -4.601 5.834 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 -9.112 -20.277 6.418 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 1.721 19.601 5.347 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 -3.845 6.878 -3.452 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 -0.041 -1.899 9.297 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 1.810 0.424 -6.222 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 -2.466 -0.095 1.850 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 -4.884 -12.381 -3.466 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 14.400 -12.922 -5.991 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 -0.540 -6.046 4.092 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 11.291 -9.803 -2.756 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 -13.519 2.473 13.478 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 -2.250 -3.876 -4.424 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 -7.193 -15.431 -17.141 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 14.149 -14.100 2.893 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 1.434 0.656 -4.320 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 -8.809 20.207 -3.147 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 6.393 1.576 -24.151 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 8.913 4.604 1.121 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 6.669 19.064 2.983 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 2.539 14.359 9.608 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 1.983 2.050 4.208 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 7.251 2.739 10.606 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 5.598 -2.762 -1.347 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 3.482 -1.526 5.191 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 6.296 -14.869 16.875 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 29.213 -32.181 6.642 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 1.553 -5.431 -3.771 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 3.128 -2.108 -6.569 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 4.725 -8.573 4.625 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 -0.604 0.125 -2.557 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 12.753 -0.045 -13.060 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 -3.047 21.349 -9.684 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 1.268 4.679 1.173 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 -2.167 2.800 3.405 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 -4.571 0.993 5.703 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 2.600 0.201 -0.573 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 3.180 11.121 3.397 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 7.209 -6.173 7.827 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 0.471 1.056 -3.585 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 7.917 10.086 16.063 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 17.913 -13.680 -11.120 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 -0.488 -1.801 -5.728 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 13.956 -9.074 2.361 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 7.237 -5.641 -2.246 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 -0.508 -2.387 -3.545 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 -2.975 4.296 -18.306 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 -2.645 -1.155 9.802 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 -11.733 1.625 -1.310 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 18.712 -7.395 13.885 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 -12.176 41.499 1.563 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 4.516 -3.343 6.844 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 -2.959 -26.805 23.162 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 -23.997 18.852 3.604 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 -3.529 0.191 -0.338 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 -17.891 17.418 21.505 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 7.929 -0.643 -9.350 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 0.248 -1.598 3.371 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 18.980 -1.810 17.047 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 -6.077 -8.020 -1.928 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 -4.755 -3.225 -1.134 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 3.351 -4.641 12.394 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 -3.855 4.301 -13.983 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 -6.745 -2.267 -7.217 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 2.928 0.475 -8.443 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 -3.619 -17.291 -14.949 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 -2.466 -1.385 -2.052 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 -7.786 16.639 -7.787 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 -6.260 -4.019 16.166 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 -6.417 -6.176 -2.603 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 15.158 -14.213 -1.687 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 -7.234 15.420 -28.078 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 -0.945 0.402 4.791 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 -17.392 -10.334 7.548 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 28.037 4.680 11.139 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 1.910 1.172 1.154 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 -13.713 -3.383 -1.444 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 14.017 5.219 -6.093 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 1.728 0.014 4.957 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 11.723 16.927 -1.928 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 -19.536 8.529 -2.677 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 4.213 -2.482 -4.885 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 -19.891 2.608 -5.884 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 7.203 -16.920 4.181 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 -2.603 -1.468 -2.965 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 -7.165 -2.521 5.634 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 16.965 -29.887 -11.462 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 1.810 2.009 -2.663 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 11.864 8.634 7.763 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 -8.869 21.355 -14.060 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 1.484 -2.362 -2.482 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 -12.580 -11.057 -23.625 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 -0.399 -1.798 -11.007 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 -4.783 -2.828 -1.219 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 -5.958 32.176 -3.559 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 -4.528 -5.596 -0.634 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 -2.367 6.478 3.579 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 -2.276 5.216 -0.234 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 -2.638 -4.348 7.544 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 1.475 0.533 3.965 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 -6.017 4.327 9.157 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 2.203 2.971 -3.621 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 -3.719 1.145 4.905 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 -14.663 -4.396 -7.882 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 -9.744 9.730 9.665 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 5.353 4.703 2.700 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 -34.314 23.855 -2.897 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 33.421 -8.270 6.953 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 2.053 7.813 -3.606 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 -0.058 -2.648 -14.116 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 -12.051 5.263 8.317 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 -6.711 -3.620 -3.635 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 17.707 -1.605 -6.433 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 -8.558 -18.712 12.645 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 1.004 4.199 -3.153 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 -2.422 2.291 -10.224 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 -3.384 4.875 -4.449 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 -4.255 -0.058 -0.371 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 -2.271 -24.402 -26.199 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 -0.129 -12.594 2.679 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 0.749 -0.265 -7.498 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 1.842 -11.111 -0.551 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 -1.894 10.793 -14.940 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 -0.755 -0.774 1.916 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 0.203 -22.526 30.057 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 -0.522 -7.618 10.794 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 10.821 -4.637 3.988 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 37.045 1.997 -6.026 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 -6.035 3.763 -28.162 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 -5.280 -4.729 9.133 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 -13.528 23.962 4.217 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 -6.740 0.960 0.902 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 -1.184 -5.081 3.943 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 -20.227 -16.243 24.125 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 8.124 13.421 -7.772 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 -5.521 1.132 -2.839 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 1.230 23.838 -4.212 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 5.778 23.556 -6.028 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 -0.084 1.030 1.243 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 16.391 3.814 16.254 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 5.355 2.303 13.790 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 0.911 0.195 0.514 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 -29.505 2.099 21.986 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 8.702 -19.028 1.987 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 -4.661 -0.904 -1.575 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 9.535 1.118 -7.011 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 -4.802 -8.678 14.223 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 -7.757 1.031 1.648 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 -4.622 -5.047 -16.152 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 11.460 -4.787 6.062 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 -2.651 -2.790 -2.819 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 11.129 -7.593 22.273 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 -33.851 5.967 -15.949 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 -1.630 1.790 3.973 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 -0.536 0.709 -12.146 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 13.723 3.001 -17.689 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 -0.666 -4.105 -3.902 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 -20.803 -1.028 16.931 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 7.766 1.750 -6.460 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 -2.047 1.042 -5.836 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 -3.513 5.038 -16.541 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 -0.350 -2.000 1.370 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 4.211 -10.233 1.470 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 2.595 -16.820 -0.958 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 10.790 -7.644 2.965 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 -3.134 0.255 2.361 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 3.419 11.040 4.497 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 -7.627 -7.772 3.819 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 5.656 3.722 -9.098 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 5.242 2.661 -7.888 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 5.532 4.543 -8.672 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 0.668 -0.591 -0.210 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 -5.335 -9.537 -5.911 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 -1.742 16.408 -6.660 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 2.599 3.502 -2.119 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 9.011 13.037 -29.081 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 6.865 -19.709 -2.532 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 -0.061 -0.107 -1.020 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 -3.820 -10.085 -16.708 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 -21.394 21.652 27.966 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 -3.632 1.576 -0.194 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 -6.121 7.694 16.895 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 12.470 19.906 3.684 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 -1.389 0.439 -0.267 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 -1.780 9.621 -4.392 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 -10.113 6.530 -16.377 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 10.162 3.931 0.740 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 12.385 1.564 0.603 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 9.222 -3.251 9.634 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 -4.160 -5.416 1.606 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 26.468 -11.108 7.878 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 -13.965 9.973 14.933 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 8.177 -3.381 5.657 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 -5.973 -12.303 6.782 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 5.889 20.312 4.973 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 -0.619 -7.850 2.022 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 -19.550 5.098 2.565 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 -23.973 21.492 -20.613 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 -1.960 0.413 -4.509 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 3.792 23.979 17.968 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 -0.980 -7.614 -14.754 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 -3.274 -3.486 4.147 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 -6.869 17.938 -8.665 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 0.869 -17.187 -4.608 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 -3.383 0.806 1.311 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 -7.388 -9.546 1.787 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 -5.016 5.168 8.467 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 2.396 3.276 0.916 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 2.862 21.237 -9.988 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 -13.006 -6.532 14.937 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 -8.148 -7.369 -2.634 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 -4.717 -11.288 -35.758 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 -17.167 4.476 -19.893 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 -1.777 2.729 -4.497 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 3.705 -9.158 0.967 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 -5.454 -11.521 14.492 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 2.230 -5.228 5.210 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 -11.829 1.857 -5.827 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 5.863 9.706 16.131 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 -5.816 -1.126 3.208 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 -11.583 8.336 8.010 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 -4.736 -1.745 -2.094 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 -3.642 2.607 -2.481 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 -12.379 12.190 -13.393 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 -13.536 1.821 -11.835 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 4.503 -4.795 2.047 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 -11.542 18.682 17.439 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 20.947 0.214 -3.525 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 2.569 0.477 -3.390 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 9.968 -7.755 0.552 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 -32.814 1.005 7.800 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 -0.245 -1.223 -3.874 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 -3.231 -7.506 6.815 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 -2.299 2.334 -15.406 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 0.228 3.244 2.967 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 -4.970 -1.189 -0.076 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 6.524 -0.197 2.390 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 8.013 -5.749 -1.106 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 11.886 -17.720 14.355 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 3.174 8.616 -18.746 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 -3.538 -5.625 0.422 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 0.176 -10.493 -1.892 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 -22.590 9.358 -1.732 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 -4.272 -0.680 -2.236 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 18.086 7.031 -0.179 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 0.850 -12.880 -22.390 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 -3.868 0.333 -5.063 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 -0.206 5.088 -2.531 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 7.689 7.817 -2.303 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 3.554 1.119 1.924 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 8.096 -10.475 1.040 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 -11.483 -0.670 5.810 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 -1.260 -2.724 2.059 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 6.663 -36.457 10.383 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 -3.577 -6.905 2.846 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 -3.572 -4.316 -1.698 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 6.991 12.851 -23.336 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 3.159 -2.606 4.348 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 -6.250 3.870 -3.544 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 -6.321 5.982 -8.508 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 -5.151 -1.123 4.835 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 -1.797 1.051 0.813 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 15.839 2.782 -6.619 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 -18.357 -17.837 -4.239 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 2.090 2.368 9.020 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 0.945 28.511 19.933 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 -4.259 9.632 -20.841 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 -0.304 0.456 -0.605 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 -4.859 3.027 -1.006 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 -7.157 9.489 -3.920 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 1.278 -5.831 -1.212 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 -0.162 -0.194 -3.236 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 -1.090 1.193 -4.792 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 8.002 -3.051 4.231 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 18.437 -7.611 24.317 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 4.973 -18.549 -12.849 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 -0.101 -3.712 2.288 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 -14.645 8.315 2.980 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 -10.899 -13.749 10.901 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 -3.968 3.802 2.696 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 0.268 7.856 3.459 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 -5.625 -0.158 2.926 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 3.151 -1.820 2.932 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 4.618 4.438 8.566 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 -1.116 2.346 6.983 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 -0.439 6.105 -5.415 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 7.881 6.368 10.889 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 1.738 -10.478 -7.665 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 -6.737 -5.047 0.418 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 -4.601 -1.961 -2.871 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 -3.264 -6.226 -5.760 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 -4.047 -0.121 -6.116 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 -2.964 6.402 -19.421 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 -20.452 -14.609 -12.497 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 6.994 3.018 1.892 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 18.876 -22.335 16.953 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 23.392 12.067 -22.041 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 7.268 -1.038 -0.338 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 15.238 -1.335 4.740 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 5.743 -4.381 -8.698 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 -6.475 3.158 -5.565 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 -7.682 -7.605 1.273 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 -7.677 -9.256 0.817 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 3.118 -0.134 4.281 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 3.247 -1.608 2.893 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 3.336 1.439 -6.139 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 0.835 -2.118 -1.608 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 15.734 -5.120 -10.094 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 0.182 7.449 -2.576 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 -1.056 -1.039 0.740 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 -0.979 -7.472 21.145 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 37.673 -17.262 8.602 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 -2.380 -5.699 -2.048 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 15.510 -15.759 16.141 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 23.677 -11.592 2.735 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 -1.593 -2.054 5.037 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 10.368 -25.605 -9.891 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 -7.908 -2.894 16.021 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 -0.290 0.831 1.351 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 -7.716 1.969 -3.954 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 -2.813 -17.424 -40.705 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 0.729 0.532 1.943 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 7.962 -3.137 -1.172 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 -1.926 0.766 2.442 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 6.696 -0.738 6.338 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 3.332 25.303 2.343 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 -19.401 -10.462 2.900 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 6.808 -5.184 3.220 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 5.183 14.366 2.917 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 10.694 -5.871 4.334 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 6.825 -3.159 6.115 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 -7.082 3.325 -0.978 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 11.205 7.508 5.369 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 2.690 -0.196 5.760 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 2.251 0.085 4.293 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 4.942 -4.639 19.105 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 -3.573 -4.105 -3.705 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 -1.126 10.335 -17.424 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 2.993 -17.615 5.222 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 4.924 5.537 -2.682 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 -11.691 5.438 16.188 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 2.484 9.408 -5.802 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 -3.870 0.068 6.477 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 -29.229 18.403 -5.015 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 16.351 18.433 29.993 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 8.751 0.120 4.720 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 -2.673 0.960 -7.474 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 -1.949 -20.749 10.725 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 -1.008 1.912 2.913 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 14.680 -5.260 -4.603 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 -18.878 -3.505 10.929 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 0.506 0.566 -0.940 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 7.942 -8.593 5.974 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 14.819 11.395 -0.969 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 -1.578 1.765 3.125 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 22.929 -3.195 5.600 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 -0.258 -10.983 -4.038 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 -2.173 -2.191 -3.687 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 -4.485 7.614 -16.152 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 -3.291 13.126 14.708 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 -2.791 -1.366 2.678 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 0.043 -11.901 3.067 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 -2.045 4.784 -1.107 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 0.172 5.796 -5.498 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 14.789 6.558 -11.058 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 15.601 -0.983 -7.654 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 0.150 0.883 -1.696 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 -8.432 14.254 0.041 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 7.487 -10.266 -3.543 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 -2.064 0.830 0.048 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 -9.572 30.117 -2.297 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 14.818 -4.244 -25.624 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 3.088 5.030 -3.534 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 16.054 4.822 -2.032 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 -16.815 5.294 -4.099 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 5.669 1.709 -1.613 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 11.379 0.676 8.970 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 33.512 -3.728 -2.977 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 -2.902 3.296 7.487 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 -2.486 3.539 11.306 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 -3.294 0.582 6.736 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 0.091 -1.326 -1.159 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 0.190 -9.321 2.888 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 9.416 -3.948 0.821 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 -0.225 4.849 0.733 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 -13.678 26.165 3.759 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 -7.037 16.223 -3.988 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 2.597 1.344 2.510 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 -12.408 -6.258 -8.749 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 13.023 2.322 -0.533 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 0.909 -4.973 1.165 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 -30.153 5.174 -2.260 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 18.741 14.956 20.776 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 -2.320 -3.115 -0.099 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 2.630 6.071 8.500 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 -15.618 -15.046 1.291 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 3.049 -2.192 0.206 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 -2.609 12.658 6.258 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 -3.271 14.717 7.298 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 -6.745 -0.093 2.197 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 -9.617 5.073 5.750 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 -9.273 15.077 27.390 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 5.176 -7.488 5.987 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 9.475 -8.291 2.610 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 7.936 -7.782 3.478 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 5.808 1.942 -1.929 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 14.025 7.416 6.801 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 15.985 29.471 -9.634 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 2.460 2.276 -0.588 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 -14.999 7.024 -6.893 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 -6.516 1.322 -6.413 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 8.048 7.454 1.055 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 -12.037 -2.194 14.954 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 4.375 26.083 2.340 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 -2.209 1.247 -2.635 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 2.903 3.136 3.249 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 -13.165 -3.837 -12.289 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 -6.939 -2.451 1.244 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 -17.318 11.371 28.514 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 -20.857 -9.038 13.755 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 1.789 -5.673 3.703 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 11.810 -3.682 8.833 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 -11.768 -11.103 4.000 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 -4.417 -4.274 1.098 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 -14.078 -6.896 24.671 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 17.290 10.614 4.145 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 -2.057 -1.858 -4.672 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 -6.173 -2.717 -16.829 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 -11.791 0.257 16.202 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 -3.490 0.410 3.850 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 -5.746 -19.899 -21.548 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 -5.326 16.218 -3.820 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 -1.407 1.091 -3.107 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 -3.900 6.489 2.902 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 -4.582 -1.381 1.293 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 2.440 -2.048 3.359 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 7.613 5.322 18.498 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 4.477 -6.079 -8.097 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 4.359 0.091 -3.636 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 2.330 7.058 -1.461 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 1.902 13.062 -0.114 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 3.270 1.385 -0.206 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 5.676 -10.545 -3.326 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 12.926 -4.141 12.758 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 -0.929 4.805 0.955 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 -8.792 22.783 30.713 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 -2.923 3.369 0.418 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 -4.284 3.613 3.709 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 -8.032 23.302 2.578 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 42.609 15.925 2.185 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 0.235 3.463 3.378 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 -4.512 -5.211 -2.857 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 8.549 7.208 -1.307 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 0.187 -0.115 0.642 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 -8.432 -11.222 7.223 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 7.410 10.136 11.340 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 -3.713 -2.648 1.474 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 23.737 -11.088 -11.323 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 -19.446 -4.024 2.916 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 -3.580 -8.398 -1.337 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 -1.051 -6.565 -15.954 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 10.132 -6.691 8.403 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 -6.499 -2.044 1.035 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 2.410 -2.306 -4.896 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 -5.299 6.602 7.400 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 5.291 1.483 1.488 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 13.071 -17.259 16.746 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 21.389 11.862 4.733 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 5.110 5.081 2.098 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 4.512 2.850 3.461 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 12.625 -7.407 -7.126 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 -5.272 2.428 -6.182 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 -10.541 3.201 1.311 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 29.489 -4.377 -8.133 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 -2.402 2.325 0.949 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 6.130 0.753 -9.541 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 -16.583 0.330 -3.166 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 -3.836 -0.987 5.500 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 -7.823 -0.692 -3.273 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 4.065 -2.871 3.996 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 4.104 3.927 -3.378 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 14.105 8.657 -17.941 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 13.781 4.871 3.913 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 4.717 -0.463 -0.158 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 7.716 -1.560 9.242 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 23.686 18.866 -22.200 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 -3.053 1.057 -1.760 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 2.491 -25.063 16.458 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 -17.557 13.503 -2.471 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 1.040 5.162 -0.592 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 -1.069 2.737 0.497 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 -15.007 -10.388 -1.455 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 5.370 5.652 0.157 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 -14.227 -20.867 27.300 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 18.262 0.708 -11.871 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 3.252 2.333 3.207 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 1.842 2.319 5.794 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 18.545 -0.011 -20.106 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 2.034 0.491 6.233 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 7.971 2.077 2.711 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 -0.577 -4.473 1.998 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 8.754 -2.114 -1.251 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 9.564 5.460 -3.742 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 17.193 22.480 -5.261 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 3.774 -3.425 -4.576 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 2.583 8.100 -11.241 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 8.095 -10.655 -18.421 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 5.646 6.511 -2.384 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 19.108 -39.034 -17.929 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 3.439 -9.676 -5.591 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 4.318 -7.034 6.347 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 -4.584 -3.821 1.418 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 16.168 3.447 14.430 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 -3.410 0.392 1.582 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 -8.723 1.324 -3.052 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 4.528 -4.675 8.273 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 6.357 0.787 -0.729 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 11.006 -5.175 6.474 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 -3.194 4.102 3.081 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 0.815 -2.577 1.778 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 10.399 -16.928 12.666 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 16.721 13.465 8.422 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 -4.261 -1.504 8.013 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 -11.987 6.735 34.243 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 20.240 -14.271 -28.304 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 -1.243 0.474 -0.631 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 6.108 -3.778 21.902 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 -26.642 -3.600 -0.331 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 -3.110 1.841 0.836 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 -6.758 2.612 0.889 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 7.778 -11.820 -10.884 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 6.748 -0.761 2.960 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 10.537 0.418 -10.329 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 -11.859 -3.177 10.900 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 -6.808 -4.022 0.468 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 -6.583 6.422 1.010 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 -2.804 -6.482 -0.432 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 -3.270 -4.574 0.333 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 11.627 -27.478 4.015 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 -9.809 -8.767 -13.824 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 1.165 1.762 -9.240 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 -15.752 -17.865 1.472 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 21.634 -14.320 15.189 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 -1.931 -1.541 2.668 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 8.156 3.381 -6.350 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 21.078 -7.380 -20.262 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 -4.490 -1.597 -5.259 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 -6.339 0.978 -10.954 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 -3.857 -3.106 -6.358 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 0.495 4.790 -3.205 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 -8.908 7.807 3.500 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 5.698 27.733 -2.988 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 1.089 6.047 3.816 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 -2.227 17.319 -4.728 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 -7.590 -2.113 5.874 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 4.477 -0.477 -3.833 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 -7.904 -2.192 -8.919 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 11.353 -0.269 -2.795 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 1.955 -1.881 -5.010 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 5.513 -0.875 -6.021 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 -23.363 -19.961 -13.732 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 -1.067 3.060 5.901 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 -5.611 -18.854 -8.674 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 15.298 14.249 -10.744 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 -2.257 3.604 -1.002 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 14.616 -4.928 11.196 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 1.296 -3.733 6.549 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 -2.694 12.852 -7.356 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 32.428 6.363 4.059 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 12.304 23.763 -20.949 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 -5.850 3.044 -0.128 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 -14.542 1.688 -3.605 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 7.463 -5.790 -11.458 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 -0.474 2.117 0.623 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 6.204 -0.733 -5.395 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 10.073 -16.893 1.935 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 -1.452 6.048 -5.590 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 -4.828 -6.758 -5.107 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 0.887 1.737 -5.280 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 0.208 -1.162 -0.134 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 -12.305 -40.158 1.297 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 -35.663 21.352 -26.088 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 2.160 -2.585 -3.297 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 -5.298 9.542 7.342 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 10.682 -8.037 6.056 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 -2.956 -1.801 6.370 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 2.082 -6.096 8.132 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 -3.269 14.831 5.896 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 1.621 6.482 3.306 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 -12.777 -8.079 20.419 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 -20.777 25.305 -15.339 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 7.730 1.647 7.472 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 -10.527 23.513 38.376 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 17.518 -9.354 20.534 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 -1.571 -0.734 -1.165 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 15.410 21.254 -6.858 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 -21.479 -12.748 26.157 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 3.830 -0.319 -0.183 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 -5.428 -3.779 -2.834 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 -12.728 -7.837 -19.405 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 4.299 5.732 -3.127 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 -3.642 12.182 -4.002 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 1.633 -8.132 -4.310 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 2.525 -3.233 13.306 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 7.250 2.146 -12.570 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 -23.904 -5.597 12.141 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 1.408 -1.759 -3.137 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 -4.241 -7.944 15.931 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 7.292 -12.268 -0.603 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 -6.008 5.015 -2.395 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 -9.261 1.073 -10.207 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 2.319 7.215 9.332 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 3.835 -0.586 1.104 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 8.565 -9.407 -1.663 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 7.447 1.442 -3.591 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 2.482 0.703 7.060 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 -4.160 -22.696 2.457 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 1.490 -1.130 7.048 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 -0.307 -3.371 3.338 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 -0.217 6.548 1.572 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 -1.638 -4.165 12.014 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 -2.611 4.164 1.557 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 -9.477 11.869 -3.289 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 12.349 -6.558 17.978 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 -3.512 2.908 -4.193 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 -19.953 -13.378 5.061 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 13.415 22.679 -14.753 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 3.696 5.485 -6.140 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 16.229 -17.484 -17.844 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 6.747 -27.264 -18.918 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 2.512 -1.559 2.251 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 14.767 -9.052 -6.966 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 14.223 10.126 11.592 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 -5.323 1.137 1.318 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 0.460 -1.109 2.709 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 -6.555 5.736 1.979 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 5.180 -5.548 1.987 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 8.887 -30.346 8.588 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 1.824 -9.966 -17.689 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 -4.733 -0.112 2.087 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 11.183 3.236 15.867 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 3.759 -8.932 26.262 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 -5.473 -0.458 -0.115 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 -15.984 -3.269 -11.816 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 -11.597 4.833 4.114 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 1.525 0.944 3.533 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 4.918 -1.327 -2.214 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 5.750 9.957 1.533 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 7.155 -0.566 -1.162 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 1.440 -4.017 -5.692 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 -1.849 16.485 -16.027 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 3.627 0.111 2.045 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 17.833 18.977 -4.420 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 4.448 -19.024 -16.001 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 -0.535 -0.644 2.467 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 -1.960 6.009 0.868 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 21.395 -10.363 -5.250 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 2.615 -0.557 -2.941 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 -4.031 7.153 -8.808 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 -6.322 -10.561 1.922 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 -1.107 5.565 0.207 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 -11.284 -6.480 3.953 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 -4.564 4.217 10.545 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 2.997 2.562 5.501 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 15.131 -11.420 15.615 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 3.323 -7.342 -11.576 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 -2.041 0.315 0.149 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 20.009 -3.591 29.471 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 8.545 4.432 -11.919 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 -0.593 5.839 -3.255 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 -4.027 2.188 -9.935 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 -8.139 -7.615 -27.939 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 5.136 -2.916 -1.657 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 -16.351 -9.503 -19.322 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 -9.671 -6.817 -21.642 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 2.582 -2.006 0.080 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 0.423 9.942 -3.258 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 3.243 13.362 -11.050 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 0.361 -2.794 -2.285 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 -11.969 18.585 4.018 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 11.169 -10.922 -2.104 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 -1.422 -3.331 -3.243 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 3.579 1.357 -1.616 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 12.680 -5.029 -16.987 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 -0.078 5.679 4.531 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 -7.494 -3.849 10.292 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 5.789 17.003 2.345 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 -0.327 -3.798 -4.062 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 -5.775 2.139 18.826 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 -16.963 -26.379 -5.387 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 0.319 -4.513 3.320 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 -9.001 0.187 27.418 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 -2.800 -6.270 -23.992 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 5.729 -0.982 1.886 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 0.200 19.186 13.000 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 1.407 7.800 8.480 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 4.787 0.162 -3.281 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 -14.428 -8.207 -2.228 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 -10.915 -19.763 -39.403 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 -0.648 2.826 4.100 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 12.236 -6.404 -29.112 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 7.406 -1.902 21.270 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 4.274 6.389 1.763 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 23.904 -17.124 -1.024 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 4.212 3.498 15.431 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 0.387 -5.743 3.846 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 18.299 3.529 -2.273 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 11.028 2.785 0.710 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 4.106 -3.221 -5.892 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 -0.058 8.383 -6.075 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 4.945 7.730 -6.544 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 -2.091 -1.408 -0.423 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 -10.496 26.494 -6.288 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 -10.352 -0.840 2.931 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 -1.185 4.708 -3.236 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 -24.227 -6.855 -10.986 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 13.858 12.968 15.251 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 -4.410 1.748 -3.503 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 -9.040 4.586 7.145 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 -5.229 -2.582 -12.329 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 4.799 5.097 2.187 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 -19.295 6.862 3.472 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 7.246 -0.328 -23.120 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 5.392 0.679 -7.074 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 2.509 -6.234 -4.142 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 6.895 -2.661 -6.145 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 -2.903 -1.800 2.022 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 -24.987 9.508 15.292 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 -3.101 -11.518 0.257 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 -4.641 2.956 0.545 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 -13.006 6.305 -10.564 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 0.707 24.909 -23.905 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 -1.847 1.988 -2.009 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 3.967 2.393 8.158 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 -2.409 2.327 -3.020 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 2.366 -3.925 -0.077 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 10.666 25.416 17.006 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 12.292 -29.417 6.488 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 -1.489 -1.362 1.289 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 -14.356 -3.035 7.399 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 -18.482 -4.044 10.902 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 5.504 4.103 -0.757 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 4.695 18.968 -3.665 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 7.425 -3.085 12.517 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 -0.149 9.696 2.454 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 -2.835 0.340 -16.763 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 16.777 12.823 -12.484 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 7.390 -1.914 -3.136 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 6.218 -5.285 -2.647 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 5.546 17.150 -2.010 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 3.489 1.972 3.006 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 2.227 5.596 2.493 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 3.260 -6.341 9.606 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 1.148 1.168 0.763 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 -0.745 2.778 2.752 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 4.056 -1.055 -2.296 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 -0.421 2.727 -3.642 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 -6.779 2.784 -10.128 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 -1.664 4.222 -5.417 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 4.648 5.372 -3.844 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 5.483 -1.720 -19.693 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 -10.375 14.625 -4.059 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 -4.228 -1.289 -1.359 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 4.165 -12.470 -0.808 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 1.458 11.091 8.596 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 1.179 5.581 -1.845 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 16.361 -11.802 13.395 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 -7.241 -17.273 -11.701 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 -1.709 -4.661 4.178 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 18.585 -18.560 -0.148 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 -2.838 27.088 -17.680 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 -2.510 -9.680 9.766 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 -17.683 -15.398 -12.561 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 -23.455 -21.438 12.636 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 -0.726 4.588 -0.617 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 4.737 3.019 -0.508 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 -1.135 7.666 -2.764 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 7.994 -3.493 0.128 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 -16.229 -9.569 12.749 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 -14.451 -9.403 -0.427 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 3.867 4.586 -8.324 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 -12.469 6.804 1.217 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 14.852 7.974 -12.339 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 1.402 6.099 4.294 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 4.651 -0.685 6.556 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 -8.483 -1.054 3.650 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 -0.273 3.203 -1.525 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 10.392 20.361 5.871 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 -17.503 -25.751 -14.538 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 0.559 0.424 0.019 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 -14.930 10.608 -1.367 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 4.504 1.400 -16.261 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 7.633 -3.105 -0.546 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 8.043 0.519 4.158 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 11.820 -6.224 -25.765 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 -5.588 -5.618 -2.872 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 -1.876 2.391 17.042 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 -7.950 -3.971 2.136 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 1.991 1.821 1.482 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 -4.868 -20.028 -16.807 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 -2.317 -8.233 5.156 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 -3.795 2.311 -2.553 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 -0.588 7.130 0.050 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 -1.916 6.774 3.391 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 -4.294 0.381 3.138 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 -3.028 10.396 -10.360 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 -8.225 -0.717 6.190 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 5.038 -2.956 -6.303 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 13.775 9.965 16.560 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 1.149 5.033 -18.972 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 7.760 -3.684 9.386 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 -0.081 -4.271 12.706 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 9.719 -11.736 7.857 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 0.717 -0.720 -2.321 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 -8.141 -20.697 -16.814 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 -3.347 -0.515 -7.801 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 -5.704 3.852 -4.984 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 -15.194 0.276 -10.429 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 -7.728 14.334 -4.228 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 -2.196 1.050 -2.029 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 0.851 7.984 24.524 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 -15.352 2.361 -2.243 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 4.757 2.761 -0.974 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 23.336 1.204 15.706 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 1.332 -12.689 -6.073 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 3.700 5.867 -0.446 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 -21.899 -27.073 5.087 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 -0.051 0.345 0.696 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 8.610 3.317 8.104 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 8.006 2.930 -6.414 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 12.450 10.069 -8.356 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 -0.447 -4.562 -7.997 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 -1.441 18.954 -12.956 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 -5.420 1.276 -14.604 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 1.110 2.774 4.034 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 3.781 3.500 5.269 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 8.279 2.460 2.790 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 -2.655 0.200 3.951 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 -26.547 1.777 2.586 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 31.860 1.129 3.142 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 -3.745 -0.865 1.052 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 3.037 3.648 8.212 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 4.252 6.168 -8.023 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 -7.679 0.533 -4.339 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 5.429 17.818 7.941 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 -16.093 -13.766 13.528 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 -1.315 4.540 2.352 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 0.994 8.611 -0.238 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 -11.823 -7.913 0.497 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 -0.978 8.486 -0.294 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 -9.248 5.630 3.212 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 8.337 0.149 -3.787 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 -1.983 0.259 1.941 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 -9.979 12.357 16.651 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 9.018 -2.393 1.077 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 -7.006 1.061 -0.454 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 -7.120 6.921 2.501 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 7.601 4.307 -6.691 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 2.288 2.537 -6.792 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 -17.995 -3.402 -3.309 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 -20.729 -3.688 -4.177 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 6.455 4.110 3.447 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 2.624 -0.689 3.661 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 14.228 4.405 1.011 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 1.426 -3.671 -1.796 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 3.328 0.179 17.700 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 -10.098 5.065 17.901 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 -1.663 3.806 -6.238 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 -5.283 22.898 18.600 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 -0.009 28.956 -5.880 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 -4.381 -2.546 -3.658 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 10.693 -6.554 3.072 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 -14.748 1.437 -9.425 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 2.379 0.071 -3.353 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 -12.379 8.486 2.750 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 11.173 -13.612 1.040 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 5.449 -0.290 -0.483 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 15.422 -15.833 -12.758 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 -8.233 23.951 13.498 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 1.373 -1.653 -2.999 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 3.013 3.327 -13.189 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 -8.988 -4.206 -1.325 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 2.307 2.136 -2.634 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 17.141 0.824 -4.113 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 6.142 1.290 -3.367 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 -3.181 -3.158 2.662 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 -9.996 -1.220 -6.011 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 -14.675 -0.964 -5.809 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 -6.691 5.654 -2.495 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 -24.785 -5.669 2.093 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 5.649 8.474 17.120 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 -0.934 1.984 6.297 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 6.873 5.364 1.227 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 6.380 1.629 5.771 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 -1.625 2.804 -2.899 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 4.581 0.418 -6.315 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 -3.593 -18.318 14.113 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 -1.217 -0.341 7.290 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 -3.468 -13.895 -13.168 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 -17.708 -4.436 -3.350 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 0.917 -1.480 -4.306 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 1.447 -30.246 0.860 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 14.186 -19.422 2.146 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 -5.009 4.581 4.249 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 -15.781 -33.670 4.185 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 7.120 -9.015 -21.711 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 -4.859 10.924 1.433 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 -13.378 1.007 -22.465 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 12.340 -6.158 7.921 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 6.869 10.439 -1.700 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 -15.460 8.208 32.819 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 22.690 8.118 -9.232 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 -1.840 -1.337 4.450 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 -0.032 -8.173 -6.894 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 30.211 -0.393 -8.465 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 -5.476 1.754 -4.178 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 -2.053 -3.858 0.530 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 -20.221 4.750 15.986 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 3.589 -0.047 7.665 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 22.994 -6.027 -27.508 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 10.097 -7.962 10.583 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 -1.471 3.499 -0.067 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 -5.921 8.971 12.142 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 12.407 10.932 -5.780 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 1.032 0.564 -4.228 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 -3.042 6.910 -11.364 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 -1.436 4.149 -1.146 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 2.684 0.050 -7.306 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 -15.862 6.559 0.705 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 -13.528 9.911 5.361 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 -5.774 -4.772 -7.717 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 -11.740 -7.768 -5.754 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 -4.914 -8.818 -11.878 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 -1.118 0.202 6.011 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 1.532 -6.680 -4.472 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 8.473 -14.572 -20.246 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 3.595 -4.166 0.147 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 3.607 1.815 14.714 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 6.760 8.458 15.508 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 -1.567 -1.182 -2.359 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 1.199 -23.341 -1.667 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 -5.210 10.713 -0.592 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 2.699 -1.809 1.064 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 -5.615 -9.776 -15.795 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 1.003 -9.007 -13.772 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 4.503 3.114 -2.163 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 0.792 -8.235 -0.115 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 9.749 21.481 -4.733 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 -0.612 0.294 1.489 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 -17.152 0.625 -3.559 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 2.588 -12.665 -13.618 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 -1.752 -0.518 0.910 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 -3.199 0.499 6.095 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 -7.975 -0.056 2.343 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 -3.864 1.214 -4.549 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 -6.559 1.755 -9.937 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 0.745 7.908 -11.700 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 -7.166 4.174 -7.971 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 -13.117 15.101 3.072 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 -4.958 -2.020 -10.508 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 -1.041 -5.547 -0.282 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 13.603 -2.152 -5.464 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 -13.303 -6.556 1.859 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 -3.948 -3.590 -0.386 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 -14.401 6.816 -9.822 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 -11.709 3.619 -14.175 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 3.745 2.227 -1.993 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 -3.613 -20.588 15.595 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 27.925 -8.097 15.947 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 -1.458 -0.650 -7.091 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 1.638 -0.817 -4.231 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 4.738 -0.064 11.562 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 6.875 4.362 2.762 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 4.535 3.283 -2.897 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 13.470 -6.366 2.757 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 -3.382 5.376 -0.864 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 4.001 -6.866 -0.397 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 1.726 -3.529 -8.893 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 -8.133 -4.340 -1.993 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 -3.909 -8.275 6.696 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 -14.421 -2.268 -1.441 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 1.875 -0.295 -2.175 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 13.944 2.326 3.494 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 -0.753 14.297 5.624 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 6.381 -0.574 1.818 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 -9.910 15.537 1.187 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 12.495 -8.079 5.920 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 -2.840 2.925 1.753 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 1.490 -1.918 -12.726 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 2.219 4.927 12.184 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 -2.460 -0.043 -8.157 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 10.643 -7.662 26.375 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 -12.759 -15.522 24.344 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 1.350 1.875 3.272 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 -12.751 -7.120 4.102 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 -8.362 -4.686 2.880 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 -2.101 1.038 0.578 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 6.170 -13.233 9.949 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 -13.983 -5.651 -18.324 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 -4.953 2.806 -2.959 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 -3.306 1.506 -20.188 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 -10.042 -9.890 -5.855 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 6.717 -0.098 6.247 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 9.742 1.391 -3.303 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 0.506 -18.869 2.825 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 -2.813 2.968 -4.116 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 -3.202 1.535 -4.621 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 -2.383 0.876 -11.240 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 1.242 1.687 -0.193 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 18.108 -13.902 -22.562 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 -27.782 11.808 -12.382 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 -6.947 0.206 -2.093 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 7.833 7.426 -11.297 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 5.814 10.343 -15.646 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 -0.431 5.354 0.572 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 9.781 12.063 13.878 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 5.904 16.729 16.663 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 -1.427 -2.363 4.415 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 8.160 -8.338 9.400 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 -1.468 7.963 -2.324 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 -9.032 -1.607 6.135 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 7.003 -11.648 6.809 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 -5.050 13.780 13.049 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 0.776 -0.915 1.184 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 -4.642 -4.187 -3.803 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 11.159 4.512 10.682 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 0.403 -3.535 0.022 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 13.498 -14.309 13.580 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 -15.103 -27.008 2.356 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 0.468 10.138 3.114 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 -0.662 4.038 -5.137 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 9.237 16.964 1.382 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 7.363 -9.321 -1.223 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 8.808 -23.615 18.341 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 -10.649 -20.155 -14.053 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 -3.731 -4.617 -2.141 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 1.722 -3.205 2.265 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 -14.911 -1.374 -16.441 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 3.148 3.149 -5.583 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 31.433 20.629 -17.831 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 12.759 -1.515 3.446 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 0.812 -2.792 -2.020 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 2.506 6.205 9.343 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 1.064 2.552 4.715 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 6.705 0.728 0.404 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 -7.892 -4.420 1.460 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 0.068 -2.303 1.894 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 -2.349 -7.383 -0.240 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 -0.525 -8.296 -13.200 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 6.164 -34.808 -2.226 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 -1.775 3.578 2.340 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 -2.414 -9.848 5.315 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 -0.154 -3.171 -1.648 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 2.462 1.022 -0.785 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 4.343 -5.506 -5.521 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 41.533 4.963 -7.763 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 -1.349 4.207 1.047 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 -11.091 2.327 10.439 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 -15.091 -9.025 1.457 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 -3.256 1.990 -3.871 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 -12.273 7.229 -10.330 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 3.896 12.975 -8.431 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 0.507 4.782 -2.725 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 7.277 -3.186 -18.081 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 -4.518 12.118 -1.430 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 -3.284 2.297 1.107 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 -3.561 9.131 -4.595 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 1.834 -1.253 -3.245 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 -0.353 0.085 -6.501 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 -12.865 4.338 -2.489 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 22.195 -20.680 3.679 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 2.848 2.448 -1.995 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 0.256 -15.642 -9.057 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 -12.493 26.809 20.665 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 2.641 1.683 -2.230 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 -11.203 -11.189 -15.073 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 -1.515 -26.797 20.899 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 -5.469 -1.899 -1.901 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 1.544 4.197 -7.455 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 -9.626 15.293 -17.133 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 5.129 7.290 7.953 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 24.358 27.338 20.251 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 3.171 15.687 -21.928 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 -1.705 -5.933 0.010 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 -1.638 -5.097 -3.177 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 -1.708 -3.964 -5.612 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 0.501 -5.187 1.887 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 4.548 16.978 -3.496 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 -18.739 -7.760 14.246 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 -2.680 7.324 -1.361 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 -5.315 8.591 -20.665 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 -21.121 -17.926 20.593 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 0.917 -0.458 3.264 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 -7.334 19.745 -28.434 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 4.784 13.262 13.338 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 2.005 1.234 2.304 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 -4.326 -3.049 6.287 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 -17.524 8.586 -2.462 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 -5.601 2.878 -1.965 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 -2.129 -20.767 23.460 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 0.308 0.857 1.684 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 -0.427 -1.679 1.870 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 9.554 -4.291 -19.797 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 -10.598 11.572 3.961 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 -2.843 0.150 3.901 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 9.910 -13.437 6.683 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 -0.037 -4.063 -5.729 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 -3.700 -6.123 -3.459 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 -7.258 -7.485 -5.690 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 6.530 5.000 12.820 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 6.241 -1.308 -1.170 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 6.528 6.947 0.538 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 -2.403 -7.567 -6.156 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 -0.129 5.977 -4.220 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 -10.996 -13.563 -13.180 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 9.654 23.981 7.968 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 4.905 -2.924 0.155 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 15.033 -10.979 -16.012 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 18.810 -9.200 3.435 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 7.338 -0.161 4.669 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 -5.625 11.261 -12.037 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 -6.653 -1.726 23.932 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 5.430 -1.444 3.635 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 29.909 3.429 2.799 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 5.530 -7.131 6.425 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 -3.175 -5.798 -0.994 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 5.190 -9.889 11.977 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 -3.056 3.847 -0.856 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 0.805 -4.731 0.763 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 -9.468 12.871 13.979 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 15.897 -2.802 -4.312 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 -7.605 7.711 7.090 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 -8.108 6.914 6.824 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 -2.900 6.849 3.702 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 -8.152 -2.067 3.847 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 -12.854 7.248 12.725 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 -0.239 0.126 -6.142 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 4.773 -0.554 -3.078 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 16.031 12.522 -10.552 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 -9.580 5.058 -1.591 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 3.822 6.471 2.646 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 1.260 13.182 6.840 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 13.207 -27.079 -15.923 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 -2.709 -5.377 3.573 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 9.476 -5.905 8.178 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 -10.040 -10.694 -3.224 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 4.839 5.682 0.541 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 -3.509 -15.916 -10.298 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 0.736 -6.192 -3.446 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 -3.000 3.947 3.190 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 11.330 4.624 10.057 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 13.303 -0.230 -5.332 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 -0.631 -8.287 -0.931 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 8.379 14.109 -1.896 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 11.892 20.671 0.375 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 4.846 2.311 1.617 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 11.079 -2.874 2.436 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 -4.555 -14.032 17.695 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 1.829 3.437 -5.648 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 -1.439 3.160 -6.023 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 -23.791 -1.664 -21.267 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 1.423 -1.484 2.884 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 -5.461 -2.594 4.988 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 1.923 -1.262 2.531 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 -0.743 9.178 0.838 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 -10.872 -4.679 8.611 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 -15.312 20.839 -9.884 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 -3.555 2.639 -3.846 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 -8.013 -0.327 -7.484 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 -7.733 20.958 -2.806 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 4.520 2.690 -1.284 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 3.259 0.404 -7.252 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 1.196 2.388 -6.094 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 -3.754 -9.345 -2.481 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 -1.594 -10.878 -24.357 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 13.041 1.087 4.274 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 -2.921 -5.282 -0.498 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 -12.468 -0.753 -16.366 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 -3.533 -12.745 -7.384 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 -2.236 1.144 3.701 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 0.802 25.098 -5.350 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 9.725 -4.431 -3.193 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 4.873 -4.773 0.809 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 -2.326 -16.565 6.964 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 -9.389 -7.571 10.321 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 -0.690 6.748 8.084 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 -18.830 13.217 -5.453 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 9.410 -15.029 -7.385 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 -7.749 2.827 2.165 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 -12.730 13.679 -29.565 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 10.910 -6.898 13.138 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 0.113 5.826 -0.051 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 -1.516 2.707 -9.603 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 -4.557 11.746 -7.488 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 4.628 -1.943 3.415 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 2.982 11.264 -3.188 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 -17.972 -1.490 -3.418 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 2.805 -6.227 -2.110 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 -13.767 -21.276 8.448 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 -7.075 -14.933 -16.252 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 3.390 -2.574 -0.018 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 7.219 6.195 -2.115 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 -3.337 -2.582 14.815 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 -2.358 0.690 -3.496 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 -19.523 7.909 -0.268 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 -3.985 14.668 4.533 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 -0.480 2.020 3.586 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 -0.877 39.727 -10.472 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 -22.530 9.572 3.692 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 4.609 3.733 3.767 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 -25.315 -27.271 17.081 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 17.041 -28.023 -35.955 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 0.982 -0.078 -4.265 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 -1.781 5.147 10.275 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 -1.866 -8.997 -12.862 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 -2.672 -4.373 -0.129 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 7.780 -5.295 15.663 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 2.409 18.336 6.208 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 -5.198 -6.874 2.088 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 16.226 4.816 4.514 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 -16.642 -16.661 -0.998 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 5.283 -2.780 6.992 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 2.984 16.371 7.547 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 7.261 -8.057 6.117 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 -3.863 1.879 -1.044 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 -8.049 -0.464 11.980 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 -14.004 18.827 -1.819 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 8.034 4.637 1.551 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 -0.247 7.963 4.449 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 22.800 -10.465 -8.531 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 -0.731 4.556 0.761 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 46.027 14.022 -9.935 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 -40.579 -7.297 9.319 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 -5.845 -2.519 -1.627 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 4.300 -4.525 8.622 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 -17.733 4.130 -19.994 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 7.984 -4.789 -1.653 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 2.361 4.669 1.310 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 -8.929 -0.859 1.179 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 2.746 -7.677 5.259 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 -12.855 -12.139 8.840 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 22.456 0.081 -0.217 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 7.148 1.164 1.829 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 -4.570 -2.173 12.474 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 -6.691 11.723 20.385 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 -1.235 0.099 -3.491 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 -9.364 -8.455 0.342 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 7.063 -5.157 -10.990 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 5.261 1.405 -1.792 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 10.884 2.997 5.081 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 7.847 5.061 2.271 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 -0.997 7.486 6.866 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 -11.111 4.476 -3.141 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 4.646 -0.386 11.572 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 2.153 -0.745 1.154 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 16.262 -2.945 1.086 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 7.152 7.373 40.767 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 -4.278 -2.403 -4.314 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 0.747 11.897 6.715 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 -5.644 -17.658 -0.987 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 4.223 -6.089 -3.168 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 15.776 -0.647 -16.312 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -6.833 -14.148 4.900 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 -3.003 5.043 3.728 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 -0.441 -12.120 -4.998 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 -9.110 8.181 4.215 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 -0.495 -2.985 2.516 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 -11.259 -12.170 2.315 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 11.866 5.257 1.635 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 3.323 -4.753 -2.046 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 -6.080 8.190 2.170 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 4.884 -1.238 -14.532 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 7.609 -9.174 1.383 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 2.137 -5.230 5.874 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 16.321 -7.895 6.472 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 -3.389 6.936 -0.482 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 -1.298 11.160 -10.777 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 -4.435 4.889 4.090 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 3.081 -2.091 3.359 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 -5.520 -9.785 -10.011 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 4.172 -4.926 16.135 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 6.950 -4.556 -4.190 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 5.383 -6.908 0.068 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 4.357 -0.044 -0.819 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 0.323 -1.904 -1.252 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 -0.255 -6.432 -4.927 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 -0.557 -5.571 -4.002 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 0.527 1.218 5.114 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 -2.708 3.084 0.665 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 -23.687 -9.202 -11.554 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 1.644 3.374 4.895 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 17.426 -18.396 30.629 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 -3.882 22.664 15.811 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 -6.622 6.154 -1.160 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 -1.984 7.049 -0.490 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 -33.442 6.748 -7.550 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 2.315 0.916 -0.189 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 -1.536 -7.520 -17.492 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 5.140 3.668 4.072 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 -1.488 2.161 -0.521 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 1.078 0.161 14.230 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 -7.745 18.573 5.546 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 -2.876 2.127 1.938 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 7.458 5.519 9.654 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 -16.596 -1.103 -15.841 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 1.662 7.203 -5.012 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 -5.806 0.026 15.219 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 0.257 -7.894 17.282 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 -0.669 -1.793 0.418 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 7.814 2.487 6.273 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 -5.954 0.297 17.171 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 -4.882 4.184 0.861 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 10.638 5.203 -6.912 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 -4.992 -8.733 -1.657 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 -0.111 -1.457 0.524 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 4.785 -22.739 12.141 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 0.539 15.817 -8.545 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 2.974 6.826 -1.292 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 3.029 9.016 2.830 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 5.619 9.339 6.115 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 -3.334 1.102 8.180 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 -24.987 15.993 9.737 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 0.802 -10.240 6.753 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 4.656 2.989 -5.934 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 3.810 -5.789 -0.152 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 14.308 10.511 -1.025 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 -5.899 -4.764 -5.172 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 1.108 -5.018 11.239 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 -15.668 1.496 19.401 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 -2.279 5.746 -5.895 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 -2.169 -7.216 -7.681 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 -4.730 12.300 5.810 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 1.608 2.432 0.136 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 21.031 46.605 6.723 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 -3.466 -7.731 -1.592 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 1.307 -6.698 0.342 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 1.608 -46.357 8.931 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 13.138 5.983 21.328 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 -5.962 -0.159 -4.673 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 21.347 11.827 0.177 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 -12.740 1.779 3.163 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 -3.396 4.096 -4.539 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 0.941 17.421 19.288 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 8.220 12.012 -2.499 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 -3.672 5.702 3.428 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 -11.895 3.444 23.151 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 3.415 12.144 -5.558 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 -0.547 -0.307 -0.029 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 10.903 0.747 8.031 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 8.350 -1.172 -6.792 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 2.615 0.120 -1.250 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 14.149 10.824 -20.255 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 0.395 -7.421 6.123 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 2.229 3.275 3.509 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 4.081 -7.264 0.304 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 -0.042 7.472 3.827 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 5.983 -3.747 -1.496 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 16.509 -6.452 8.153 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 13.367 -7.524 -4.175 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 -3.570 -5.285 0.963 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 2.519 -1.109 -9.665 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 -10.452 0.614 15.046 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 -4.260 8.357 5.979 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 6.408 -16.630 -14.792 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 14.635 3.088 7.066 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 0.476 3.514 3.616 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 9.757 2.943 -13.725 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 -0.540 10.691 0.635 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 5.656 -3.026 -1.521 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 9.552 26.161 12.155 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 9.612 0.481 7.133 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 1.295 2.616 -5.464 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 2.123 -0.468 -7.967 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 -4.119 4.174 1.934 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 -1.941 7.584 -8.835 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 -18.403 -24.395 6.294 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 -11.723 -0.432 -10.667 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 -1.574 0.480 0.134 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 1.161 -8.055 -7.419 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 -0.058 12.684 0.066 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 -4.059 0.761 -3.447 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 -15.791 0.092 -15.012 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 -1.228 -17.858 -0.517 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 0.852 -2.007 0.127 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 8.084 0.266 -2.848 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 33.347 -5.853 -11.015 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 0.606 -0.226 4.598 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 1.452 -5.780 6.265 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 5.131 9.229 3.262 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 -0.697 -6.602 2.008 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 1.839 -18.418 -2.149 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 -9.170 -8.331 20.019 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 8.192 -3.244 -4.867 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 8.307 -18.522 9.565 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 4.306 -0.175 4.857 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 -4.328 -7.559 1.265 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 7.481 -1.742 -2.345 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 13.007 -5.879 6.792 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 5.680 6.529 -1.335 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 -12.872 21.987 -8.202 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 2.223 9.326 -1.843 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 -2.964 4.008 0.016 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 -8.410 -17.690 19.814 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 -7.897 -7.707 12.262 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 0.258 0.313 3.961 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 6.302 -0.290 0.943 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 -8.629 -9.454 -12.567 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 -1.760 6.581 2.944 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 -9.525 -8.761 -8.471 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 -2.837 17.499 -36.813 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 2.431 -0.183 7.094 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 -17.729 -6.604 20.209 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 3.490 28.657 -0.684 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 3.174 0.936 2.668 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 -4.941 -13.272 -7.349 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 -0.591 -6.401 -2.704 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 0.184 0.379 0.092 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 -1.778 40.199 -16.804 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 0.172 3.797 -7.261 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 5.464 1.631 -3.244 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 -20.832 -0.714 -1.652 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 20.817 -2.184 -3.799 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 0.684 -1.697 3.422 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 -16.417 -3.388 11.254 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 7.636 10.138 16.285 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 -0.685 5.992 -1.061 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 13.746 0.530 1.503 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 -3.200 24.047 0.482 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 2.359 -0.923 -7.284 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 -2.857 -5.526 -13.486 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 8.317 -1.469 -12.757 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 0.565 -10.034 -1.512 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 22.457 -14.751 10.848 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 -10.598 10.562 9.573 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 -11.265 7.404 -3.441 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 -4.401 26.649 12.457 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 -8.573 3.881 -15.053 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 4.867 1.459 3.874 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 12.111 -5.991 6.780 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 -1.119 -1.360 1.699 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 -0.276 0.377 -2.396 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 -1.443 1.884 -8.391 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 9.036 3.442 22.702 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 0.183 3.218 -2.222 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 -4.142 13.088 17.534 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 -6.314 -14.126 9.579 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 -3.420 -3.155 3.202 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 -19.620 -6.540 15.764 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 19.398 -0.710 1.714 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 -1.843 2.706 3.360 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 0.402 12.762 -7.420 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 -24.684 3.640 14.397 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 0.346 -0.436 0.058 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 -6.894 5.655 24.607 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 -4.972 7.151 -2.184 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 0.184 -2.027 1.585 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 -2.040 3.555 2.464 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 -0.251 5.832 -0.311 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 0.074 -0.712 -4.458 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 -6.032 -5.381 2.525 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 5.709 7.495 0.484 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 -1.835 0.489 -2.398 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 -1.944 -15.890 1.391 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 21.331 -17.165 4.339 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 -5.874 -1.845 6.280 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 3.595 -7.367 23.624 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 2.750 -7.906 0.189 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 -5.164 4.039 -4.686 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 -11.129 3.415 3.338 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 -4.462 1.494 6.371 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 -4.068 0.722 5.934 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 5.260 -14.789 -14.661 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 3.225 -10.800 -9.326 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 -0.678 -6.185 -5.028 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 13.158 4.077 -19.862 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 -1.385 -4.960 -1.594 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 -2.035 -5.165 -4.699 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 -4.958 7.416 -13.325 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 -1.800 -0.280 -18.019 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 4.478 -4.048 6.519 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 19.627 -21.699 -0.866 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 -9.510 -0.101 19.993 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 -2.775 -2.708 -2.081 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 10.204 -10.893 -7.612 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 -18.558 25.127 4.272 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 -2.596 5.941 6.800 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 9.235 -2.163 -1.466 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 8.033 -2.631 1.098 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 -3.684 4.549 -1.233 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 1.300 -2.524 -11.284 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 9.763 14.137 2.505 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 -3.678 5.029 1.215 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 -2.417 -7.089 -15.636 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 3.667 14.338 6.200 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 1.066 2.463 1.458 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 -2.866 14.015 13.052 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 7.917 23.598 -7.101 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 1.134 4.034 3.346 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 -5.027 3.301 5.181 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 -38.088 -31.398 3.626 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 -1.293 2.357 -4.564 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 7.253 -6.037 1.798 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 4.622 13.948 -16.742 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 2.298 3.067 5.361 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 3.714 6.226 9.357 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 5.356 -3.810 -1.438 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 1.620 1.490 0.484 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 6.312 9.059 -18.535 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 0.905 6.900 -8.309 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 3.330 3.736 -2.244 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 3.996 3.839 15.074 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 -13.789 8.828 -6.888 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 -6.856 1.562 2.929 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 -5.734 13.215 -12.744 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 11.712 -20.402 9.795 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 -0.117 -6.495 -4.189 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 5.399 -8.398 -3.384 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 -12.274 -1.628 -6.086 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 -6.279 3.120 -4.794 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 -1.601 20.970 -4.336 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 13.851 -3.831 -12.722 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 -2.768 -3.779 -5.828 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 -20.463 -24.600 -19.074 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 -2.795 -2.386 -19.312 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 1.295 7.455 4.839 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 -0.130 -4.474 -10.795 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 -2.665 -8.681 -14.525 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 1.589 -0.291 -1.913 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 -4.358 1.094 -5.131 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 -3.455 6.008 3.590 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 -2.636 5.257 0.096 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 -11.376 -17.464 18.380 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 16.050 -7.741 2.490 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 -2.512 -0.245 -4.402 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 -16.283 -10.848 3.931 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 -1.108 -6.123 -21.238 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 3.881 0.870 -0.373 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 0.425 6.017 -10.496 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 17.067 14.409 -16.829 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 -1.237 -2.782 3.457 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 -4.114 -22.531 -1.087 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 -8.257 8.921 -3.149 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 7.158 -0.182 3.922 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 2.670 6.425 3.987 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 2.116 -5.985 6.533 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 -5.610 -0.156 -3.334 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 -12.543 -3.161 -6.576 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 -3.873 1.396 -4.112 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 5.779 -2.142 8.153 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 29.398 -16.880 20.021 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 -17.374 11.230 -3.668 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 -2.856 -1.983 3.701 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 0.532 -5.457 10.788 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 -4.321 -6.120 6.150 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 3.538 2.761 -7.350 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 -9.711 0.930 -3.272 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 -2.101 0.239 -26.956 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 -2.075 5.998 -2.667 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 1.070 0.834 -13.165 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 -11.471 6.705 7.821 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 4.750 3.043 0.641 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 29.904 1.572 -4.024 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 3.609 10.784 8.722 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 -2.828 5.877 1.846 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 -7.839 8.078 0.264 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 -11.342 9.318 -2.098 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 3.555 0.151 1.166 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 -0.461 11.605 -2.551 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 5.359 -5.530 3.652 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 1.828 1.830 7.163 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 21.080 7.975 -4.363 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 -0.260 -6.480 12.635 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 0.872 3.799 -0.620 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 -7.675 1.353 -6.213 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 23.989 6.401 11.997 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 1.819 0.413 -1.831 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 15.233 2.619 28.378 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 12.728 28.287 -28.870 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 2.141 1.185 -5.193 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 1.288 -2.693 -12.010 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 7.450 9.022 2.779 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 3.309 1.325 -3.669 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 1.349 -6.708 -0.288 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 -3.857 -0.598 -13.342 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 0.918 4.195 -1.730 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 3.900 7.639 3.264 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 12.579 12.897 2.125 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 -4.435 -4.181 7.205 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 -2.941 -7.184 12.880 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 -10.292 1.115 -28.562 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 -0.584 2.128 2.209 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 -3.423 8.555 -8.485 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 -8.354 14.700 -19.342 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 -3.496 2.746 3.406 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 -3.235 3.969 4.141 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 -0.241 -4.661 8.159 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 3.149 -1.944 -2.179 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 2.359 -19.475 6.671 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 1.808 6.294 15.027 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 -3.080 -3.815 -4.567 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 -6.911 3.863 5.787 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 -0.735 -13.902 -11.061 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 1.913 -4.073 -5.919 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 5.077 -1.641 -7.518 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 0.696 -3.087 -4.222 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 8.460 -0.165 -0.490 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 -2.023 -3.384 1.215 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 7.131 -3.954 6.798 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 -1.753 6.276 2.940 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 1.344 10.896 -4.470 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 -6.806 0.504 0.242 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 -4.148 0.352 -3.162 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 -23.122 -2.569 0.393 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 -18.161 0.045 0.726 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 0.186 -5.738 -0.060 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 -4.049 -10.259 2.298 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 -15.081 -10.662 6.589 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 -2.747 -9.076 -1.660 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 1.274 -1.771 1.321 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 11.021 -10.904 -20.056 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 0.638 0.414 0.892 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 -9.315 -1.151 12.396 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 -7.547 -1.002 -9.120 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 -4.951 7.659 -1.550 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 -1.076 7.158 -7.551 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 -1.214 10.771 1.523 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 6.719 -1.122 3.236 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 -5.419 -10.607 14.208 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 17.798 -3.885 10.185 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 -0.949 -3.151 -6.540 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 -14.116 -15.637 -0.362 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 -1.210 1.609 -7.016 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 2.408 -3.697 -5.302 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 7.417 -23.711 -5.843 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 16.082 -6.390 -7.338 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 -10.930 0.329 4.339 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 -0.577 -1.177 -1.639 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 1.081 20.903 -24.721 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 1.887 1.921 0.908 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 14.536 3.914 6.117 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 5.351 -2.167 -14.463 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 1.841 9.959 -2.752 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 8.644 17.232 1.705 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 -4.266 13.904 -10.571 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 -1.741 2.401 -2.480 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 -1.254 2.869 -1.198 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 -25.522 -0.817 10.029 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 -3.878 5.924 -0.848 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 9.209 -22.029 -3.685 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 -12.736 -9.939 -7.832 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 -2.973 -3.003 1.020 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 4.776 13.643 2.715 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 -4.430 -4.374 -15.139 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 -4.103 -7.131 -0.704 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 -8.353 -0.319 17.880 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 10.906 7.479 16.741 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 -4.829 -1.266 0.606 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 15.813 7.159 -22.042 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 -26.518 -10.075 9.985 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 -0.563 4.151 -4.437 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 3.594 2.587 -11.120 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 -5.467 3.194 -4.125 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 -4.225 0.912 -1.132 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 4.028 -4.963 15.407 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 -18.470 30.469 7.133 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 2.836 6.100 4.179 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 -6.359 -7.535 -1.790 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 13.437 19.420 24.683 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 -4.605 -9.004 6.493 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 8.170 -18.765 -0.398 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 13.937 -8.654 -7.048 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 2.759 2.755 3.669 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 3.158 9.370 -11.498 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 -4.490 -6.061 14.726 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 2.540 -4.608 -9.632 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 3.868 4.062 -10.219 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 -7.993 -5.198 -10.891 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 0.175 0.138 -4.048 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 -19.128 -3.837 -24.843 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 21.009 2.430 -20.627 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 -3.750 -3.443 2.111 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 -17.810 13.741 6.484 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 10.730 -5.629 -18.315 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 -1.929 -1.067 0.669 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 -6.281 -22.645 -18.826 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 7.953 -8.497 19.457 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 -8.183 0.155 -0.165 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 28.023 -1.455 11.113 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 -9.864 -13.229 12.918 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 -2.047 0.504 -3.041 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 9.306 8.518 -6.937 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 -26.374 -23.231 9.976 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 1.033 1.767 -1.097 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 -10.395 -0.293 1.069 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 17.916 3.133 -18.791 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 0.748 -7.086 0.510 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 3.501 -14.511 -1.341 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 -6.317 4.494 2.888 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 3.156 -4.528 -5.231 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 12.643 4.430 -0.106 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 16.053 4.815 -32.766 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 -0.234 -8.729 -8.186 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 -20.367 20.075 -8.017 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 -5.472 -8.424 2.527 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 -0.960 8.211 -1.590 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 -1.905 -0.592 2.418 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 5.425 -1.947 3.063 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 -0.317 5.144 3.400 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 5.531 2.622 -4.846 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 4.820 11.641 1.363 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 -2.530 -8.357 1.429 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 9.246 -20.151 -4.782 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 0.295 -4.990 5.014 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 0.105 -0.169 -1.080 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 -5.030 4.146 6.476 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 -7.749 -2.919 -2.058 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 2.636 5.653 -1.509 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 -3.520 0.918 -3.134 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 4.881 7.115 3.389 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 1.624 3.042 1.066 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 -5.897 3.065 1.214 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 5.480 2.096 8.620 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 -0.559 7.305 -6.562 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 -22.894 0.254 14.104 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 3.523 8.674 9.583 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 1.949 9.979 -0.818 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 2.763 3.634 -4.042 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 -2.441 8.138 10.512 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 4.771 3.640 -4.577 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 14.208 12.440 3.020 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 8.928 13.133 -4.530 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 1.432 -12.534 -2.432 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 -2.876 -0.569 -17.487 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 22.838 -8.337 -7.085 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 -3.051 -1.353 -2.754 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 2.187 -9.227 -6.187 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 -1.786 -23.353 14.535 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 -1.677 -3.330 -6.187 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 16.997 0.499 8.026 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 -7.527 30.172 3.364 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 -1.592 1.817 3.753 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 4.092 -13.903 15.038 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 1.611 13.727 0.592 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 8.223 -3.845 1.749 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 18.250 2.947 -1.641 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 8.702 -2.999 1.315 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 -3.989 -2.837 -1.224 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 3.803 12.437 -18.886 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 12.603 -15.292 5.360 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 -0.549 -9.264 0.468 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 -0.848 9.418 8.276 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 5.182 -22.817 -12.662 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 -7.746 -8.234 10.316 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 3.802 11.687 1.902 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 -23.062 -30.657 19.974 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 1.273 -3.964 0.672 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 1.318 -13.164 14.244 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 15.954 5.468 -7.645 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 10.805 2.722 3.429 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 13.844 10.236 4.532 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 18.283 -6.149 14.055 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 4.446 0.107 -1.008 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 -7.848 19.628 15.423 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 0.748 14.087 -31.835 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 1.762 -5.259 1.203 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 -17.664 12.754 -5.236 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 3.600 -4.292 22.561 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 1.481 1.543 3.979 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 -7.285 6.699 9.317 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 10.487 4.941 5.718 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 1.606 0.896 -4.097 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 1.512 -10.917 18.538 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 3.568 -8.952 -14.880 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 -1.827 4.316 -2.233 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 3.968 3.894 12.731 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 8.862 -9.649 12.709 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 0.443 -3.368 -3.909 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 17.407 -6.576 -21.000 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 -3.755 0.689 18.431 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 -0.164 10.214 6.231 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 1.309 4.866 12.834 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 5.323 11.540 5.139 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 -3.015 -1.252 -1.049 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 5.353 20.917 11.298 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 49.008 -14.315 22.760 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 2.388 7.931 8.393 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 -2.140 1.199 -5.586 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 -8.662 1.681 -31.048 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 -2.820 -0.207 -0.895 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 5.038 -3.426 22.597 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 -7.344 7.163 -6.141 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 0.600 -0.825 0.033 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 -14.674 6.689 -20.488 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 1.275 14.641 21.799 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 -4.880 -2.484 -5.903 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 1.049 -27.701 -6.956 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 1.963 2.285 6.556 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 -1.730 1.145 -2.044 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 -6.848 8.965 -16.435 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 11.098 -18.669 -11.759 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 -0.545 3.794 1.507 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 4.130 -6.820 3.647 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 -4.584 13.591 -0.292 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 -0.229 2.460 0.223 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 -8.270 -0.543 7.816 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 14.108 9.446 26.506 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 -4.734 -1.436 6.964 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 3.052 0.590 20.502 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 -27.119 -3.366 -30.376 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 1.882 5.060 -3.056 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 9.125 4.568 8.709 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 -9.106 -3.967 -17.165 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 4.758 -5.440 3.160 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 14.637 -3.506 0.027 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 1.231 -0.066 0.047 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 0.699 1.244 -5.764 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 -15.641 -4.831 -4.019 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 -17.336 -5.268 -4.273 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 4.513 -6.935 -4.530 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 -45.617 -7.392 -11.413 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 23.111 -7.071 -2.231 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 -3.707 -4.892 -2.156 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 -4.908 -7.503 -2.622 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 -0.558 -5.297 -3.707 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 2.273 5.523 -3.883 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 -1.591 1.795 3.713 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 6.836 5.153 -2.040 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 0.633 1.803 -3.011 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 6.265 -14.901 -9.128 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 -10.513 10.565 -8.383 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 -1.056 -6.006 2.045 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 5.283 -1.539 4.894 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 -4.947 3.512 -0.268 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 -5.937 4.755 0.058 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 1.039 12.091 8.411 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 -19.559 -5.429 -3.190 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 7.828 1.253 -4.472 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 23.448 -24.747 15.646 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 -18.929 10.929 -1.154 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 -0.465 -8.999 0.490 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 20.105 -14.316 -20.742 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 -19.346 -6.067 29.781 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 -0.782 -4.958 2.544 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 -2.939 -23.509 19.779 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 -0.190 21.310 -21.697 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 1.107 -1.223 2.501 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 -2.239 8.221 -3.528 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 9.828 -2.959 8.637 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 -0.585 -1.537 1.928 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 0.863 20.240 11.862 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 -14.078 22.435 29.250 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 6.387 -1.635 -4.447 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 -19.498 -7.853 -14.695 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 7.388 -12.794 1.479 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 -2.459 -5.794 1.402 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 0.123 18.837 -11.053 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 23.607 -20.024 8.817 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 -1.279 5.205 0.855 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 -9.820 4.232 -4.766 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 -2.660 -5.368 13.501 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 -8.437 1.938 -1.234 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 -13.081 15.014 -6.578 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 -12.253 -0.531 -1.843 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 5.202 5.523 1.835 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 16.838 -10.404 -0.460 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 -6.524 3.500 4.210 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 1.445 -0.504 0.495 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 14.901 -17.022 23.754 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 0.196 9.284 18.239 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 5.359 1.292 -0.273 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 15.378 3.266 -18.034 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 -13.807 7.843 -5.341 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 -3.191 -6.758 -0.461 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 6.908 -0.440 20.206 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 -27.463 12.033 5.028 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 -8.109 -1.557 1.844 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 -2.146 -8.939 -2.062 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 -16.737 0.451 17.869 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 4.599 1.480 4.044 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 0.775 -5.754 -15.172 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 9.170 -6.950 13.925 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 -0.062 -1.232 -3.986 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 9.742 12.513 5.763 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 -3.670 -5.269 -5.705 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 4.434 -1.322 5.829 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 -2.564 1.174 9.986 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 8.741 -12.100 1.745 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 0.164 3.918 -3.481 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 15.375 11.829 2.861 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 -3.745 -11.866 -8.271 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 1.098 6.757 -1.037 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 9.047 7.768 3.408 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 -4.240 -10.427 -28.149 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 -5.342 3.523 0.437 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 -10.965 6.899 12.196 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 8.157 6.300 1.033 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 -0.857 -2.859 -0.302 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 -10.022 -11.036 -1.727 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 19.452 2.256 1.777 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 -0.431 4.496 4.929 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 -14.986 -10.559 10.626 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 12.815 -19.603 5.708 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 5.299 -3.267 1.245 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 35.350 -24.615 -19.691 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 1.481 -6.814 24.611 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 -0.955 4.369 2.114 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 4.354 16.873 2.271 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 -2.878 -2.548 1.584 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 5.295 3.141 2.271 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 -17.219 15.209 15.133 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 28.093 15.183 15.638 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 4.415 1.953 -2.821 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 10.042 -8.964 3.718 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 5.071 5.306 -3.819 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 -6.079 5.691 -2.869 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 -5.443 13.119 -2.137 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 6.430 -5.082 4.973 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 -2.902 2.106 -0.901 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 -8.390 -0.861 18.913 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 -19.265 -2.728 -12.481 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 3.669 0.620 2.373 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 1.064 2.279 15.938 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 23.546 -4.989 -0.570 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 -6.025 5.300 0.284 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 9.564 9.236 -9.751 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 -19.624 24.556 0.956 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 1.046 -0.830 -4.733 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 1.360 18.663 -0.896 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 -2.305 5.696 -6.968 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 -3.368 1.339 -4.286 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 33.520 4.048 1.732 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 -27.769 19.490 16.820 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 3.229 0.757 -8.166 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 -15.297 -9.275 -17.638 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 -0.155 21.687 -3.412 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 -2.993 1.689 -1.343 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 3.390 -6.503 -1.537 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 -11.421 0.220 -12.915 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 -2.754 -0.691 -0.209 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 -6.310 8.955 -3.958 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 10.713 -7.415 3.276 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 2.590 1.008 1.060 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 -8.249 1.033 19.019 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 7.250 21.377 -14.099 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 4.114 6.714 -5.178 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 1.172 16.322 -8.426 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 5.217 3.463 -5.986 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 -0.012 4.646 1.804 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 1.450 7.946 -1.156 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 -9.709 -8.030 18.320 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 0.008 2.001 1.300 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 15.571 -9.346 0.299 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 -8.198 11.464 10.003 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 -4.754 0.556 -3.877 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 1.475 -2.176 0.969 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 17.555 -9.367 13.489 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 2.636 2.602 -3.375 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 -6.907 -12.252 7.013 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 18.879 13.738 15.665 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 0.080 1.316 1.555 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 0.545 0.392 1.970 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 -4.299 5.600 -0.556 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 1.377 -4.514 1.712 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 10.616 7.138 -5.073 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 -14.970 -7.278 -7.294 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 1.505 -1.083 5.587 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 7.173 -11.955 -12.245 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 -6.019 -12.846 -2.723 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 -3.136 -0.176 -3.375 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 -4.183 9.900 2.945 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 -10.123 6.920 -6.298 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 4.506 -5.576 1.302 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 4.367 -12.004 0.909 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 3.024 3.231 1.046 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 -0.957 -1.579 0.045 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 -10.462 -3.103 0.346 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 5.755 -0.507 -1.856 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 -0.122 -0.206 2.132 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 -7.367 -3.224 10.384 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 -3.249 -1.383 -0.571 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 -1.247 0.541 7.396 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 -5.736 -18.780 -10.592 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 7.564 -8.770 15.071 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 -0.652 -3.319 1.001 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 -0.438 -0.831 -3.746 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 26.235 -17.570 -6.454 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 -3.604 0.828 -0.370 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 -6.009 -5.472 3.036 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 -12.405 -11.188 5.619 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 -0.731 1.059 -0.370 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 22.015 24.814 5.413 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 7.385 3.497 17.356 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 0.170 -0.755 -1.083 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 -12.094 -6.631 -3.841 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 -12.193 2.013 -14.036 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 -3.936 -0.380 -0.508 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 -1.406 0.944 6.840 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 0.868 -0.954 2.171 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 1.566 3.868 3.218 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 7.292 4.676 -9.261 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 19.760 -2.118 8.252 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 -2.736 2.692 -4.264 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 -21.686 0.771 -15.582 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 19.272 -9.157 -3.151 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 -1.200 3.247 5.435 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 0.248 6.880 10.816 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 10.254 2.878 2.289 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 -2.024 1.365 2.351 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 -1.966 1.519 -4.199 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 -2.750 -8.188 1.652 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 5.528 3.639 -2.668 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 -18.544 19.454 10.450 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 -5.144 -23.328 19.355 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 -1.481 -3.526 1.689 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 -2.909 1.817 7.560 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 3.455 7.262 8.466 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 2.989 0.987 -5.061 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 8.016 4.828 -2.982 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 -1.121 -15.359 5.641 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 2.940 4.014 3.023 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 -1.838 -10.827 33.235 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 17.465 -2.869 -11.456 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 -3.552 -6.302 6.327 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 3.453 -6.995 0.541 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 -12.377 -4.599 17.539 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 10.274 -11.215 2.427 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 12.159 -4.526 -12.816 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 -0.030 -7.251 10.736 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 -2.200 3.651 -2.412 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 -14.604 18.886 -13.282 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 -4.766 7.348 17.577 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 -3.431 1.833 -2.331 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 -13.375 17.347 4.305 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 -1.231 -10.888 14.343 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 -2.588 -6.970 -0.196 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 6.762 0.021 7.552 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 -14.698 3.008 -8.613 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 1.627 -0.095 -5.417 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 -21.191 -9.997 -3.249 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 23.392 -4.306 -23.926 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 -3.518 -7.037 0.698 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 -1.723 -2.554 2.233 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 -4.285 -4.753 5.483 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 2.596 1.865 -3.273 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 0.836 8.953 5.998 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 0.607 9.020 10.164 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 7.614 -8.212 -1.295 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 32.984 27.026 -0.428 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 18.399 7.417 9.556 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 7.781 -6.050 -3.168 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 -36.960 -10.890 13.088 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 -2.118 -1.782 2.241 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 0.913 1.944 1.206 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 1.784 8.050 -14.364 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 7.606 -12.737 19.817 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 -0.796 -2.336 7.522 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 -9.146 9.710 1.610 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 12.306 0.771 -11.455 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 -2.761 4.276 0.545 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 6.007 10.270 26.317 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 15.557 5.543 5.796 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 -2.526 2.744 1.147 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 -2.121 0.130 -0.106 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 -6.216 -7.488 -5.229 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 9.948 -0.843 -3.587 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 -11.628 -2.637 4.088 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 -10.502 3.577 -11.830 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 -1.707 -3.455 -0.128 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 1.782 -33.293 -21.325 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 -16.502 -26.782 16.171 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 0.900 0.671 -5.779 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 -18.170 12.345 7.458 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 -2.795 -7.751 2.050 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 -0.562 -0.837 10.274 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 -10.305 -11.413 3.279 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 -4.114 -11.584 26.765 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 -1.222 -3.496 0.563 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 3.291 -2.199 23.274 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 -33.676 -15.230 0.310 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 3.603 9.994 -0.721 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 -8.470 -4.559 -30.512 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 -18.938 5.079 26.573 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 5.441 -1.963 0.544 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 -0.724 0.610 -4.876 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 11.453 0.691 -6.288 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 4.168 -1.501 -0.920 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 -30.342 -4.502 -39.146 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 8.718 -4.853 3.955 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 10.355 2.363 1.915 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 1.578 31.940 -2.876 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 16.267 -13.958 23.949 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 1.569 -2.413 3.322 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 13.080 -1.451 -26.983 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 -4.539 -3.464 15.177 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 -2.861 2.918 5.747 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 2.283 -33.783 -10.177 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 1.222 -16.363 -4.993 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 -0.176 8.974 1.082 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 -18.532 -4.623 -22.364 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 11.318 22.821 -14.628 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 0.262 2.141 5.418 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 6.197 -1.419 5.499 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 0.325 1.657 0.385 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 -2.722 -1.903 -7.624 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 13.183 18.098 -4.313 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 -3.538 -12.802 3.018 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 5.871 1.480 -5.301 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 -10.666 2.989 -9.828 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 -1.316 27.915 22.983 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 -1.569 1.020 -8.419 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 -8.885 -1.472 12.151 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 15.798 -9.043 -0.922 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 2.109 0.203 -5.744 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 -13.372 -5.405 -1.872 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 -22.041 -4.928 19.334 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 0.469 5.083 -2.135 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 0.533 22.934 2.141 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 12.306 -3.068 10.397 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 2.408 -4.551 0.395 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 10.191 -4.156 9.404 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 15.779 -1.929 -9.893 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 0.443 -0.385 -2.487 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 0.030 -0.535 -1.165 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 -3.925 25.726 11.706 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 -3.863 -4.172 -5.084 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 6.955 12.032 -2.239 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 -8.522 -13.939 -2.655 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 4.132 -3.244 -6.239 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 -6.642 6.973 -1.033 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 15.792 9.956 -3.877 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 -3.944 3.514 -6.224 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 -7.929 -3.039 -21.284 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 -3.454 7.915 3.639 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 1.587 -3.935 -0.691 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 -21.368 -8.263 27.515 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 19.004 2.623 -16.619 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 -1.801 -1.275 -7.279 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 -11.413 2.639 5.786 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 6.692 -17.631 -22.926 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 7.411 -4.511 5.015 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 8.378 -4.423 2.323 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 -11.004 19.061 -0.753 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 1.895 4.221 -2.899 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 5.350 4.966 -6.914 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 -11.972 -10.313 13.594 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 4.572 -3.897 -6.692 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 1.813 -13.856 -5.759 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 3.933 -3.815 5.980 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 1.395 4.227 -1.849 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 2.303 -1.040 -4.473 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 -4.809 5.860 -18.887 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 -2.166 -1.582 -6.187 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 9.253 -2.963 0.362 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 5.851 6.200 2.385 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 -0.157 1.486 -0.812 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 4.006 1.649 -0.716 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 -18.471 -3.847 10.928 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 -2.210 1.357 3.184 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 -14.260 -6.902 12.976 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 9.154 12.427 -7.676 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 -2.419 7.347 -10.448 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 -3.086 12.974 -7.312 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 1.465 3.775 -10.166 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 0.665 -5.904 2.433 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 -14.980 -23.113 2.791 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 5.015 -7.019 22.889 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 -1.284 5.405 2.949 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 15.777 19.744 2.349 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 9.452 13.714 3.124 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 -2.258 3.918 2.229 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 -2.211 -4.434 10.165 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 -8.973 1.864 7.326 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 -3.303 -5.071 1.516 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 5.522 -2.523 -0.250 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 -9.416 -2.734 10.065 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 -6.774 1.411 -3.466 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 -1.754 -1.899 -10.360 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 -15.763 6.509 10.291 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 5.122 1.378 -5.295 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 3.947 3.738 -2.726 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 10.567 -22.318 12.828 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 -5.171 -1.261 1.688 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 -24.498 3.141 -2.534 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 -7.303 10.734 -7.164 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 -3.111 -1.307 4.889 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 9.692 1.914 8.227 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 -4.195 -6.127 5.247 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 -4.577 -3.994 -2.644 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 -14.718 -9.045 9.501 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 0.664 2.977 -1.062 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 1.396 4.048 -0.577 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 11.218 7.262 -4.526 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 5.867 -4.170 1.939 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 -2.372 -3.642 -1.282 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 0.652 -1.522 -14.148 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 7.465 -3.181 10.298 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 -0.403 1.476 3.987 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 2.502 -6.064 -0.247 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 5.300 8.968 1.975 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 -3.300 2.204 -2.020 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 -3.458 2.565 -0.735 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 -5.762 1.753 -10.891 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 7.467 -0.095 -4.156 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 3.206 9.573 -7.646 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 -3.952 2.977 -7.928 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 -5.555 1.989 -6.024 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 -12.013 -14.700 -9.906 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 -4.791 13.645 6.694 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 3.827 -5.753 -2.560 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 0.432 -7.572 -9.414 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 9.738 -10.699 -0.546 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 4.194 1.381 -4.913 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 8.745 -7.324 3.424 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 11.859 11.048 -6.245 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 7.219 2.981 -0.603 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 3.033 11.007 -3.869 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 4.529 12.875 -2.465 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 3.664 5.816 -0.964 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 2.567 13.082 5.567 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 8.713 -13.632 -18.412 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 5.130 -3.898 4.317 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 -8.303 -3.475 1.498 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 9.514 -9.437 11.959 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 -2.514 -1.309 1.038 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 -6.869 22.528 -7.708 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 -13.360 -1.623 13.502 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 -5.872 1.861 -7.504 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 -29.739 21.914 14.783 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 -39.713 11.460 3.289 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 -1.049 2.620 -0.726 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 1.829 4.755 -23.087 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 11.686 18.842 8.785 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 -7.564 -0.178 0.150 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 -8.200 -4.610 7.538 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 -11.539 -9.267 15.612 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 0.777 -0.417 -2.188 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 13.183 16.909 5.935 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 13.106 15.914 0.815 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 -1.240 1.144 2.147 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 -15.553 -9.373 6.412 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 -6.803 -2.535 11.994 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 -3.686 0.837 -2.964 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 -2.118 -7.955 2.927 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 0.717 2.477 -2.960 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 0.472 -0.041 1.199 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 18.081 -28.360 -9.044 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 9.032 -7.746 -0.983 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 2.356 -7.762 -4.813 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 2.218 8.361 -12.303 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 -5.895 6.954 -5.014 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 -0.136 5.001 -1.032 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 -6.230 2.880 -9.227 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 23.566 3.931 2.240 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 -4.702 2.391 3.750 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 -14.456 8.246 13.360 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 9.003 -7.282 4.774 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 -1.061 0.424 1.390 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 -0.482 11.359 6.069 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 -10.941 -3.483 6.419 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 -8.300 -0.856 -3.292 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 -9.824 2.511 -2.654 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 -3.014 46.015 7.684 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 1.207 -3.212 3.875 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 -9.092 12.125 8.214 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 -4.622 -5.872 10.055 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 0.915 2.659 -5.256 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 41.348 -17.898 -5.284 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 36.459 -15.072 -5.689 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 -5.315 3.523 -1.938 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 6.680 4.688 -22.283 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 -0.644 -16.668 -1.446 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 -5.986 0.317 -1.124 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 17.101 -0.418 -16.918 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 -3.904 -11.281 10.029 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 -2.568 -5.351 -0.339 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 -1.079 16.234 7.583 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 -4.609 5.378 19.729 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 -0.494 3.156 -2.208 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 -4.181 3.632 -0.986 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 11.454 4.056 -1.403 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 -1.400 2.208 7.731 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 -8.211 -7.416 7.026 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 -7.262 21.864 19.969 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 -2.928 2.479 -3.059 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 -2.554 10.641 2.021 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 -0.146 3.855 -13.377 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 1.166 0.800 0.987 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 -23.968 2.773 9.533 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 -18.467 12.972 0.482 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 2.326 -7.306 -4.520 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 4.447 -11.952 -6.923 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 0.027 -4.381 -4.713 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 -1.424 -1.282 1.136 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 8.545 -12.731 -11.358 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 -2.963 -21.953 -9.549 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 2.181 -0.758 -2.932 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 8.749 -15.516 4.528 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 7.595 1.740 -12.755 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 4.497 3.808 5.905 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 6.308 6.002 3.397 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 2.103 1.045 5.334 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 5.185 -0.618 0.704 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 -2.419 17.146 2.389 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 19.214 -20.245 17.219 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 -0.772 -4.452 -1.815 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 -0.333 -7.359 -4.112 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 -1.128 0.463 0.859 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 0.048 0.721 7.738 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 1.995 3.092 6.168 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 13.517 24.708 -3.395 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 2.705 2.277 -6.075 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 -3.240 33.495 -6.697 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 2.091 8.530 -7.029 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 0.687 2.319 0.917 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 -8.568 -1.323 -1.266 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 15.456 5.776 3.811 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 -0.850 0.423 -1.464 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 6.654 -11.089 -19.874 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 6.752 23.438 -22.684 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 -4.171 -0.577 3.008 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 0.793 4.402 22.645 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 1.344 4.016 -2.643 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 -5.000 -6.185 -4.976 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 -3.728 -2.933 -5.116 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 -2.477 -4.851 -7.308 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 -2.225 -0.375 4.306 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 9.378 -12.507 22.069 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 -1.012 26.531 8.947 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 2.960 -6.252 1.065 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 7.467 -8.514 -2.523 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 -15.423 5.166 11.750 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 -1.350 3.128 6.217 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 -7.987 -0.820 -8.084 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 4.174 6.813 11.397 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 1.509 -4.517 -2.285 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 4.959 0.250 -3.357 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 -2.155 -9.200 1.793 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 -2.666 4.493 4.296 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 -8.100 12.770 9.536 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 -9.263 0.040 -4.520 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 -2.559 4.740 -0.584 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 -14.526 6.635 1.539 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 4.883 -3.853 3.331 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 -0.329 0.044 -3.236 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 4.336 9.511 -20.206 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 -3.450 8.745 -12.544 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 1.289 -3.608 5.122 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 -6.760 -4.816 -14.642 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 9.624 3.413 15.259 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 -1.330 -0.379 -4.894 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 26.662 -0.698 4.008 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 12.684 8.312 -9.272 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 -0.642 -0.753 -2.529 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 -28.793 5.687 -1.728 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 24.969 15.578 6.775 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 -5.800 -3.748 -0.244 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 -18.306 -12.298 -10.550 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 19.142 15.732 5.457 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 1.795 1.447 -3.506 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 9.174 -15.512 -1.247 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 7.501 -3.298 0.049 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 -4.859 -5.925 2.263 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 5.385 -12.126 15.248 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 -10.591 -14.779 -11.899 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 -1.498 0.387 -0.376 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 -8.863 1.868 -7.314 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 12.619 6.124 5.389 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 3.355 0.303 2.059 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 -14.846 12.294 21.527 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 2.434 -8.982 0.351 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 -0.828 0.659 0.434 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 5.072 -6.113 10.900 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 6.240 -2.180 3.428 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 -2.456 -4.193 5.442 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 -0.430 -0.836 24.853 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 2.594 9.482 -3.681 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 1.939 -6.889 0.712 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 16.755 14.856 0.672 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 -7.890 -33.430 -5.047 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 1.950 1.570 3.131 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 22.355 3.440 5.007 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 -5.915 9.381 20.250 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 0.847 2.644 2.074 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 -0.898 -9.162 -27.131 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 5.331 2.188 -1.034 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 4.979 0.400 1.651 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 5.763 -3.775 -4.877 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 2.061 15.711 -5.148 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 2.552 -0.074 -1.225 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 -6.095 -8.880 -8.818 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 -1.119 5.912 10.783 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 4.863 2.233 -2.616 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 9.520 1.566 -12.198 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 1.529 0.054 -1.148 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 3.158 -5.223 -1.670 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 14.615 4.813 -7.327 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 10.141 -14.201 -16.745 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 -4.428 4.370 -1.465 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 8.136 -8.664 9.979 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 1.670 -0.418 4.575 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 -0.946 -3.702 0.768 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 2.676 23.156 -0.920 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 15.188 -9.793 3.374 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 5.523 4.837 -1.942 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 6.364 6.913 3.866 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 14.325 -5.595 12.751 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 -2.522 -2.553 1.113 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 -19.610 -11.627 -5.944 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 -31.238 1.258 -18.746 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 -0.642 -7.928 8.471 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 -12.008 -1.372 21.055 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 13.223 -9.555 -6.819 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 4.568 1.783 2.345 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 0.736 9.200 2.720 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 0.863 8.197 2.719 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 0.480 -0.387 -2.910 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 7.541 -12.764 -7.668 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 6.859 8.517 9.569 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 -5.970 1.228 -0.384 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 10.704 8.272 9.656 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 -6.462 -0.417 -4.354 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 6.622 -3.283 -3.173 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 -5.130 -7.184 -8.740 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 23.132 -11.228 -21.185 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 -0.462 -2.062 3.471 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 -0.150 3.654 6.999 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 -3.097 7.592 11.734 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 -3.025 -5.845 1.857 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 33.044 -8.164 3.791 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 -9.003 5.002 -31.176 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 4.291 -2.798 -2.594 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 -1.301 0.791 -22.878 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 7.162 18.507 4.195 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 5.423 6.155 1.285 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 6.248 5.238 3.883 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 2.243 -7.433 14.202 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 -1.919 0.428 -2.957 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 -16.171 17.691 -5.634 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 -3.309 -1.665 8.923 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 7.395 -4.646 -0.298 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 3.516 3.587 -5.084 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 7.286 -2.048 12.093 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 -0.567 -2.412 1.100 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 -2.423 1.478 -4.339 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 1.109 2.518 4.018 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 1.828 3.304 1.760 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 10.416 0.207 -2.195 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 3.162 12.327 5.077 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 -4.749 1.259 7.066 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 1.407 7.861 2.496 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 -7.895 5.011 15.282 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 -0.748 2.801 2.882 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 -1.058 -3.892 14.977 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 -1.879 -1.549 16.359 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 4.158 -4.025 1.460 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 16.559 -8.991 -3.228 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 -0.498 -10.806 -11.810 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 0.747 -0.560 9.055 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 0.347 -23.766 16.434 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 -6.592 -16.494 9.385 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 3.379 -3.709 -1.320 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 -1.979 9.352 -1.346 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 -14.344 14.721 -3.712 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 0.792 -10.351 -1.000 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 5.183 -0.957 -0.909 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 11.609 -18.283 -1.021 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 -3.654 3.388 -0.138 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 -0.784 12.653 -34.036 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 12.258 -27.296 14.514 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 -1.074 -0.125 -1.018 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 1.502 -6.592 -11.810 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 46.048 -4.331 8.302 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 -1.040 3.627 -1.871 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 0.900 -21.535 20.513 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 -8.006 -22.118 18.743 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 -4.641 -2.199 1.893 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 11.435 6.235 -5.396 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 -9.613 7.212 11.326 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 3.133 2.432 1.368 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 -8.428 -4.692 -2.668 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 1.325 -0.910 2.717 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 1.346 -0.905 -1.935 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 -3.080 -16.291 -7.508 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 5.272 -4.010 13.851 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 0.024 6.199 -1.807 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 -18.440 -9.405 11.324 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 -18.510 23.906 -6.056 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 4.498 2.750 -5.246 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 2.252 -10.167 -7.795 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 4.465 10.789 -7.973 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 -1.875 6.641 -7.516 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 13.165 3.795 18.398 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 -1.712 -11.965 -20.549 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 3.716 -3.596 2.498 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 -9.446 -16.092 -6.926 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 4.384 -24.156 2.852 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 -3.808 1.649 -0.303 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 3.390 -15.474 1.985 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 16.918 -0.127 7.626 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 3.475 -4.305 -0.822 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 7.996 1.628 18.613 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 -16.137 2.489 -3.628 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 9.519 0.763 -1.451 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 4.116 -12.266 -21.802 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 23.433 -2.162 -11.813 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 -10.917 -6.801 -0.703 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 -10.142 9.887 -1.258 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 -1.992 -4.545 50.758 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 -7.316 1.112 7.151 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 -14.345 -10.734 2.671 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 -2.134 10.030 7.021 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 3.760 -6.778 -1.188 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 -7.057 -5.125 5.106 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 12.099 -12.046 -15.803 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 2.069 -3.112 2.434 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 -5.733 -17.518 12.804 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 -1.553 24.432 -3.314 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 -0.748 2.765 -4.412 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 -2.413 -14.913 -0.350 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 -16.240 -24.708 17.617 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 5.172 -1.335 0.852 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 3.285 -13.767 7.044 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 1.059 15.393 -8.296 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 -1.161 2.616 -0.065 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 2.767 13.103 9.886 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 15.421 -7.207 2.739 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 5.288 -1.060 -6.524 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 4.432 -9.757 -2.519 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 8.707 5.103 -6.373 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 -3.262 -4.382 2.061 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 -28.947 -27.847 7.903 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 -3.740 -1.557 1.780 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 5.087 -1.282 0.788 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 4.009 -1.673 -0.091 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 7.257 1.933 1.098 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 1.660 4.563 3.650 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 5.086 7.869 -0.262 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 -3.821 -4.853 6.581 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 -2.666 -2.276 -7.917 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 -0.604 21.211 -1.722 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 -1.973 7.551 -5.155 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 4.788 3.111 0.078 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 3.394 5.054 -4.219 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 1.737 1.145 -9.401 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 2.417 1.855 1.340 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 -9.755 -1.799 2.089 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 1.805 11.707 -6.153 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 -4.659 6.271 1.523 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 -3.950 2.708 7.931 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 -1.603 2.092 -11.734 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 -2.979 -4.039 -6.070 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 -18.261 8.190 4.556 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 16.805 -5.840 -12.044 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 -0.967 3.474 3.990 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 0.927 1.740 7.007 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 6.927 -5.024 14.332 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 2.413 1.340 -2.129 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 -31.873 21.210 -11.756 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 -10.393 -0.424 4.884 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 -3.608 3.575 -2.581 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 2.769 3.827 -3.155 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 -12.026 8.902 -8.237 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 3.555 -1.324 -0.749 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 4.420 -3.578 -15.424 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 -4.400 -0.627 -3.768 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 -2.678 0.825 -1.264 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 -5.110 -2.974 0.303 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 -6.084 -5.013 1.464 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 0.734 -0.808 -0.312 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 -20.908 11.361 -17.332 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 -21.115 -3.689 -21.456 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 -2.469 -2.854 0.526 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 -3.816 -2.277 6.144 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 -6.805 -3.286 6.131 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 4.138 -3.300 3.479 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 2.012 -24.171 -11.539 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 -17.224 15.527 -7.572 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 -0.509 -5.111 6.799 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 -8.591 5.319 23.058 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 -5.190 -0.599 13.044 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 1.535 -0.006 6.732 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 4.759 -6.711 9.672 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 -1.018 1.173 7.411 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 1.085 -2.449 -1.316 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 17.384 -20.099 -1.626 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 -2.988 -17.357 22.837 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 1.287 -4.614 -1.982 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 15.577 -9.596 3.204 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 2.837 -5.602 -18.903 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 -4.669 3.341 3.672 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 8.996 1.431 17.064 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 -5.399 9.972 2.517 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 6.225 0.852 -0.512 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 0.733 14.420 -12.934 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 -2.975 8.537 5.751 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 0.231 -3.782 -2.295 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 7.949 -1.706 20.453 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 20.821 -9.586 14.412 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 -7.224 1.165 -1.494 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 -14.134 4.208 -0.925 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 -4.778 1.183 2.428 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 1.075 4.723 8.147 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 -2.236 -2.572 13.856 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 -19.996 -29.652 19.653 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 -1.271 6.468 -4.309 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 -11.294 10.246 2.984 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 -9.082 9.993 1.081 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 -0.297 3.250 -3.226 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 4.069 -1.841 -3.239 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 -9.850 4.522 4.098 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 -0.317 6.080 -1.166 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 4.767 -11.745 3.072 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 9.343 11.134 6.929 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 -5.315 -1.238 3.953 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 9.698 14.071 -29.991 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 -7.458 -1.064 10.993 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 6.751 -0.780 5.295 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 5.473 0.615 -5.381 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 16.407 -6.831 -9.208 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 3.216 1.526 -1.567 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 2.760 1.622 -0.009 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 3.556 0.629 -3.501 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 2.093 -5.334 -1.658 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 -10.869 3.057 17.515 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 -18.105 5.221 -15.407 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 0.223 5.470 -1.218 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 -0.252 7.182 -8.214 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 -7.625 1.998 -16.089 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 -0.769 8.328 0.186 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 3.343 5.658 -0.892 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 9.368 13.976 4.063 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 1.319 2.756 -0.195 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 -2.298 26.905 -10.427 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 11.332 -5.480 -29.927 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 -10.421 0.661 -3.398 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 12.551 -30.733 7.388 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 -34.525 16.910 -4.950 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 1.161 -4.425 -0.434 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 16.711 -6.855 4.897 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 -8.963 10.262 3.264 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 3.708 -2.476 4.250 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 23.581 10.753 4.223 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 4.833 1.623 12.374 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 -4.734 0.417 1.379 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 3.583 3.226 -4.563 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 -16.874 2.373 -8.825 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 -1.132 -2.956 -0.008 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 1.580 6.440 -2.188 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 7.434 8.342 13.735 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 0.926 -0.445 3.287 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 1.907 -0.333 4.887 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 -3.413 6.014 0.102 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 1.961 0.897 -0.587 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 5.871 3.626 -8.548 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 10.401 -0.573 6.922 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 6.565 -2.523 6.317 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 -14.108 7.463 8.621 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 -32.913 15.052 11.229 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 -0.557 -5.167 -9.176 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 -14.512 12.382 9.267 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 13.443 0.546 -18.919 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 -0.744 -5.058 -1.242 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 -15.882 19.233 15.433 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 26.392 2.108 7.109 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 0.805 4.904 -0.938 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 13.156 2.335 4.601 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 -2.617 5.780 8.576 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 7.534 1.959 3.766 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 6.135 0.810 5.282 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 8.278 -0.182 1.597 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 2.242 2.654 -2.455 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 29.147 -5.894 14.147 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 0.947 0.209 8.058 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 -6.605 5.109 -0.912 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 -4.625 18.704 -0.785 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 -7.667 -0.257 -1.376 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 7.405 -3.973 -3.528 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 7.560 0.980 -23.509 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 32.291 -26.540 7.887 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 -3.708 -4.900 -4.424 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 -4.473 -6.950 -0.488 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 -7.198 19.876 -7.840 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 -3.284 2.197 0.193 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 -6.913 -3.737 1.181 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 -10.563 -4.555 1.792 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 -1.148 4.771 0.470 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 7.790 -2.435 0.568 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 -3.756 9.503 2.337 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 -4.424 -5.556 4.995 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 -3.061 -29.986 -0.210 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 9.812 14.539 -2.490 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 3.995 -1.436 -9.711 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 4.674 -1.792 -7.139 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 -5.531 2.623 -31.664 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 7.547 1.569 -2.953 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 -1.682 -0.118 -2.511 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 -21.587 -23.880 0.636 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 1.115 -8.049 -0.296 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 6.546 11.160 -3.873 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 2.859 14.949 -4.695 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 4.456 4.694 3.701 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 -1.753 -6.145 9.925 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 9.549 0.402 4.365 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 -2.333 8.427 -4.674 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 -3.788 -9.966 17.625 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 -13.601 14.281 3.099 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 -1.766 2.945 -2.820 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 3.180 1.263 -29.836 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 -7.466 2.656 19.086 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 3.877 -2.420 1.592 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 1.961 -1.850 -6.040 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 8.056 4.472 3.263 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 2.938 -4.303 -3.082 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 6.163 -1.261 -0.564 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 19.628 22.770 16.316 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 3.369 11.099 1.261 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 16.524 9.026 -9.960 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 1.338 -10.106 2.965 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 4.341 -0.772 -1.497 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 -2.820 -3.628 -7.474 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 13.629 2.082 -7.875 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 -1.973 3.229 -11.208 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 -7.859 9.831 10.376 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 -18.228 7.943 -26.962 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 0.110 2.007 2.350 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 37.819 8.840 9.334 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 11.065 -6.817 -0.251 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 -4.637 -6.672 -4.511 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 -34.255 -15.271 -25.509 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 -5.248 -10.537 21.953 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 2.102 7.489 -1.228 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 -3.350 5.591 8.166 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 -12.393 9.329 -24.942 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 -1.042 1.886 5.843 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 7.124 28.438 9.013 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 -2.236 0.737 18.289 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 0.138 -3.529 -4.708 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 -4.548 1.989 8.336 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 5.131 1.149 -14.291 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 7.598 2.777 -4.119 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 32.287 5.403 -9.490 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 -9.126 5.002 -7.702 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 0.507 0.007 -0.274 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 -25.795 20.613 -18.265 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 19.989 2.458 8.116 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 -4.284 -1.008 2.479 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 -8.601 -3.397 3.947 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -1.076 -4.577 1.384 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 -0.811 -4.769 -3.403 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 -9.566 -6.060 -5.867 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 16.570 -0.978 3.984 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 -4.658 2.843 8.239 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 5.493 9.038 11.311 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 -10.955 5.759 15.535 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 -5.017 -1.771 -3.027 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 -7.079 -1.898 6.929 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 -0.528 -26.060 -1.903 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 1.767 -3.147 -1.566 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 13.238 -3.677 5.720 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 8.321 10.104 -27.909 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 -4.133 6.004 -1.319 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 6.039 11.613 -2.502 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 -8.522 4.160 -0.261 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 6.151 7.855 -1.113 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 13.908 1.431 -25.938 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 -0.182 13.559 18.132 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 -2.954 -2.354 2.321 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 4.827 3.868 5.635 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 20.764 8.389 9.437 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 0.642 0.281 3.634 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 -14.374 5.580 -0.591 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 6.311 -5.235 4.656 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 7.228 4.676 -1.342 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 -34.205 -22.123 -5.267 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 -25.696 -16.401 -4.671 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 -2.276 -0.665 -0.004 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 -8.057 -18.027 10.746 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 -7.818 0.903 -7.935 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 -7.823 3.301 4.030 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 -4.703 -9.540 -21.429 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 2.270 19.411 -1.363 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 4.709 3.569 0.042 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 2.471 -11.756 -0.590 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 3.576 -19.726 7.835 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 -3.551 8.239 1.364 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 1.647 3.818 14.700 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 7.583 6.974 -9.579 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 2.062 0.913 -3.379 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 5.679 19.899 6.085 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 2.872 -12.424 -10.147 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 -4.882 2.692 -5.653 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 13.329 16.771 -6.575 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 2.039 8.485 5.865 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 -10.009 -6.550 2.834 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 6.336 -3.127 -24.571 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 -0.087 24.109 -2.427 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 0.822 10.412 2.748 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 2.282 15.284 4.348 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 -7.359 -3.423 14.871 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 -2.899 -3.972 -1.095 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 -6.143 -5.886 -12.303 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 -3.538 1.938 1.119 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 0.687 -1.116 5.007 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 9.909 -9.574 -0.017 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 14.954 -4.715 7.300 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 -0.215 4.593 -0.966 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 8.611 9.243 -3.033 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 14.292 -32.478 -11.470 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 -1.547 -2.402 -7.031 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 7.607 -18.983 -12.397 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 14.500 11.010 -3.507 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 7.789 -2.536 -5.244 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 5.437 -17.201 3.356 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 20.586 2.821 7.998 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 2.489 3.818 -3.705 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 -33.264 2.272 -4.421 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 0.484 22.933 -3.390 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 -1.111 1.221 5.820 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 2.010 -5.061 4.843 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 6.470 -11.009 4.287 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 -2.780 1.174 1.354 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 1.363 11.287 -0.619 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 3.966 -2.451 -3.197 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 6.284 1.683 -4.575 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 7.085 -1.504 -6.376 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 12.476 14.308 -0.420 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 -5.028 -0.975 0.527 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 -10.680 -9.465 1.949 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 -16.823 33.541 -7.797 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 5.631 -6.365 -2.735 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 8.352 -2.831 -3.979 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 -4.488 -18.657 7.379 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 -1.190 1.986 6.627 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 -19.491 -6.504 -0.739 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 8.842 9.362 -15.614 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 1.679 -7.075 0.742 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 -8.881 4.421 15.858 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 -2.980 -7.157 -19.817 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 3.421 -5.643 -1.937 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 27.541 14.950 -6.245 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 -23.110 13.059 2.887 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 -0.428 -0.714 -0.177 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 14.232 -6.218 5.724 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 -1.254 -7.910 -12.479 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 -7.016 4.920 -3.829 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 -0.730 -3.030 2.067 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 -5.757 0.888 -10.528 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 8.057 -5.888 -2.243 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 -0.682 -7.823 -2.580 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 -12.630 -1.503 -4.243 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 0.181 -5.399 -0.233 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 -3.091 -5.127 -1.728 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 9.023 -4.699 3.124 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 3.633 -1.713 -2.126 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 0.562 11.296 -35.568 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 11.137 3.264 -29.680 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 3.786 -6.417 3.920 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 -3.723 -10.759 -2.612 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 14.733 6.612 38.422 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 -1.314 -1.524 -0.214 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 -11.146 -3.079 -2.260 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 6.527 11.137 9.978 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 -2.538 5.513 1.603 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 -18.740 1.941 -0.389 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 13.754 5.806 -15.395 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 11.266 -0.936 0.173 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 4.474 -7.286 6.196 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 -1.207 7.446 -15.964 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 1.004 -3.353 -2.872 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 11.190 -4.264 9.557 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 -8.040 20.024 -0.632 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 3.941 -0.030 -3.093 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 -13.125 -5.406 -10.699 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 6.764 0.158 -1.239 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 -2.599 -0.602 0.332 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 -12.034 6.134 10.386 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 0.559 -4.325 -0.658 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 1.913 3.373 6.068 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 12.825 9.779 2.458 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 17.207 8.783 0.256 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 -3.813 -5.196 7.234 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 -6.988 6.080 2.786 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 -7.432 1.879 4.174 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 2.028 0.284 1.839 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 -6.351 4.059 5.726 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 0.372 10.475 17.642 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 3.096 0.919 5.124 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 3.019 -2.632 12.892 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 -27.671 11.809 -6.191 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 -4.455 -2.187 4.076 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 1.936 -1.284 3.535 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 -6.550 -1.416 3.279 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 -5.678 -4.706 6.772 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 10.061 -11.151 15.339 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 7.707 -0.923 -18.756 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 6.543 0.298 2.139 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 1.544 -9.168 -20.007 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 9.081 1.335 -2.859 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 6.338 7.291 -11.452 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 13.253 31.763 -18.657 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 45.348 10.744 6.103 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 -3.717 2.609 2.694 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 -4.765 2.834 2.679 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 2.089 0.162 7.870 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 -6.965 -3.924 -1.060 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 3.576 -21.286 -9.952 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 -2.309 16.244 6.127 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 -1.611 0.845 -5.392 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 -5.037 -7.125 1.324 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 -39.230 -14.561 16.056 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 3.612 -1.892 -2.957 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 -3.027 -6.163 -11.107 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 -14.783 -2.775 -22.708 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 3.079 -3.911 0.573 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 4.673 2.822 4.446 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 2.587 -8.501 -1.953 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 2.223 1.498 -1.211 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 4.541 0.137 -3.600 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 3.723 2.339 -0.236 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 6.551 3.819 -4.069 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 3.024 -11.815 0.485 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 -2.725 4.229 -3.540 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 4.689 -1.694 8.657 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 -12.059 2.012 8.671 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 5.933 2.882 17.492 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 3.072 -5.138 4.900 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 -6.909 -6.744 9.020 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 -31.499 -29.079 23.324 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 0.588 -0.973 -1.028 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 -8.616 1.693 -10.359 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 8.173 -16.471 31.055 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 -0.104 6.119 -0.878 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 23.738 10.970 14.469 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 1.042 22.729 -15.019 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 3.984 -0.890 0.622 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 -5.374 7.468 -20.008 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 13.339 -1.218 4.105 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 -4.894 0.310 1.329 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 -14.725 0.311 -2.564 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 1.115 2.494 -7.691 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 1.817 7.867 -3.984 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 2.832 17.041 1.871 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 -14.283 -3.594 1.092 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 -4.041 3.316 3.786 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 -20.464 -18.907 -17.052 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 22.625 -9.959 9.480 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 -3.996 1.753 9.677 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 1.121 14.021 -0.272 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 18.627 -11.939 5.493 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 -0.819 1.692 2.485 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 10.422 7.760 -5.841 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 -3.587 -6.253 24.734 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 -0.428 5.327 -3.590 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 18.736 -28.160 -5.846 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 9.376 29.192 -38.275 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 3.181 3.659 -0.615 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 -16.823 -5.280 13.138 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 -8.557 2.356 4.907 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 -0.051 1.296 -0.649 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 -5.347 5.595 -4.711 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 2.223 -2.753 -9.210 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 6.000 -4.046 1.425 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 -12.628 -11.528 3.305 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 -2.824 -1.811 31.556 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 -5.031 -3.967 -4.672 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 -19.433 -6.154 1.567 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 -3.090 13.091 2.273 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 2.742 0.767 2.151 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 0.886 5.719 -6.716 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 -3.322 0.646 1.345 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 -4.223 -0.005 3.112 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 -1.393 -25.004 9.396 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 -4.770 14.202 0.429 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 -3.500 -4.962 1.869 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 2.926 -3.353 1.722 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 -2.621 -19.505 10.926 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 -4.878 3.618 2.363 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 -2.352 0.698 -18.123 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 -1.921 2.871 3.583 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 4.143 8.327 0.389 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 0.755 1.682 -12.618 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 4.371 3.963 -19.701 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 1.634 -10.493 -2.049 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 11.395 -29.825 -7.513 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 -17.298 7.194 -1.362 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 0.359 2.684 -0.369 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 7.068 -13.045 -4.327 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 -2.979 -1.788 -2.499 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 -6.363 -7.284 -5.489 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 4.196 -11.330 -3.597 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 12.543 -5.090 -21.548 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 -3.495 0.743 6.314 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 4.033 -9.267 -3.090 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 1.679 -15.506 -9.430 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 1.026 2.215 -0.926 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 -1.028 7.459 0.781 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 14.638 -9.104 -19.445 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 8.262 -0.332 -6.621 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 4.636 -3.163 -16.689 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 0.196 -2.415 0.972 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 -2.509 0.862 5.107 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 -7.707 -1.911 8.876 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 3.882 8.598 -3.914 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 -2.805 0.139 -8.463 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 -23.035 -6.478 -2.361 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 1.165 -5.979 2.145 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 -1.650 1.082 1.917 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 -12.363 9.096 -11.524 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 -5.323 7.499 -13.215 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 -7.353 -2.124 -2.748 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 -9.131 8.490 11.472 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 -7.191 8.498 -5.025 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 -0.970 -4.262 -1.679 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 -2.586 4.001 0.039 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 -3.403 11.237 1.009 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 -5.646 3.602 2.264 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 -5.983 -23.507 -15.983 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 17.035 2.587 -4.598 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 2.083 0.608 3.817 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 -8.178 -21.182 -9.903 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 -0.819 -6.401 13.157 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 -3.070 0.889 -3.128 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 2.588 15.919 -15.421 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 10.068 -13.853 -9.247 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 2.222 -0.659 -1.056 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 12.479 -6.075 -14.067 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 -4.353 12.203 28.972 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 11.638 1.747 3.164 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 -2.946 -4.550 14.648 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 -15.453 15.487 39.476 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 -3.386 4.984 0.729 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -28.929 -19.939 -11.096 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 -5.285 21.064 -6.757 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 0.913 -0.812 -0.923 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 8.162 6.745 6.730 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 -4.787 -7.503 -6.624 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 1.185 5.011 -2.854 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 22.467 16.075 12.677 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 5.794 7.683 0.253 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 6.082 1.860 3.001 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 6.686 16.502 34.995 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 3.610 -1.363 -5.309 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 0.643 2.534 0.065 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 0.141 -9.378 6.248 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 -14.029 6.864 -5.399 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 -1.478 5.526 -1.236 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 11.969 -16.427 -9.536 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 -9.089 -9.096 15.419 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 4.264 -0.389 4.446 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 7.203 5.136 -13.859 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 13.731 -3.370 22.278 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 3.002 0.517 2.212 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 12.453 -11.203 13.939 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 -6.305 -9.992 -11.943 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 3.121 -1.244 0.551 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 -11.222 20.834 -3.832 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 17.220 -3.982 -9.564 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 3.418 3.636 -1.138 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 8.763 -11.818 -3.661 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 8.170 6.032 12.912 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 -1.306 4.129 -7.632 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 -7.599 -2.723 0.088 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 -1.695 2.768 6.281 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 -4.312 8.473 3.625 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 12.611 9.103 15.522 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 2.849 -9.046 -1.796 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 1.999 -5.363 -2.488 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 17.296 0.578 -7.400 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 16.392 0.364 -7.160 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 -3.842 4.013 7.074 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 -1.678 -31.428 -7.893 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 4.065 3.618 -1.755 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 -4.628 1.173 -0.676 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 21.665 -7.851 18.970 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 1.616 -21.175 -7.320 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 -0.760 -5.252 -7.083 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 -11.690 -0.546 9.110 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 -19.351 -12.380 -2.791 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 -0.010 -0.889 -4.167 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 -6.701 2.787 13.175 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 18.720 10.166 -9.427 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 2.246 2.595 7.143 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 14.992 -7.480 6.237 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 12.209 -12.498 -20.917 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 1.505 1.376 -8.789 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 7.354 6.857 -14.567 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 -3.386 -3.318 -15.412 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 3.872 1.755 7.093 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 3.338 3.979 14.409 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 -14.582 -11.761 -26.936 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 -1.233 -2.770 -2.274 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 -9.304 0.655 -3.283 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 -15.551 1.934 0.276 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 -2.312 -3.766 8.076 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 2.382 11.698 6.304 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 -5.506 -3.569 -8.081 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 8.028 -1.937 0.947 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 2.542 -8.084 9.596 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 14.607 -15.811 13.367 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 -1.493 -9.540 -17.925 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 7.793 -18.849 1.537 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 6.106 -15.081 -8.323 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 -1.176 8.412 -8.840 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 -0.983 -33.096 -16.575 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 -8.076 0.127 6.498 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 1.610 1.113 -2.784 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 10.439 5.041 -8.460 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 -9.135 0.499 2.989 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 -5.080 5.809 -1.334 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 -11.646 0.596 2.334 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 -0.502 5.276 4.379 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 2.045 -6.276 -7.938 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 4.516 -0.760 -11.750 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 25.283 -3.071 -22.559 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 -2.456 -3.995 0.231 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 22.991 9.437 -11.562 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 -22.196 19.299 4.232 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 -3.318 8.799 -3.089 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 14.095 -0.556 -5.755 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 -10.445 -22.538 -5.631 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 1.545 -1.313 -0.889 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 11.129 11.206 16.741 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 -13.123 -7.253 -15.296 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 -0.563 -4.260 1.546 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 -10.328 -7.881 0.063 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 -2.102 10.455 -1.261 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 3.843 -1.847 -0.493 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 -16.609 5.757 -1.740 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 -10.844 -8.801 1.308 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 0.632 -3.004 1.326 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 4.552 -5.785 1.573 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 -6.763 -19.872 8.901 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 -1.869 5.585 -0.809 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 13.486 19.289 1.385 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 -5.764 1.985 -1.511 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 -1.493 -4.424 8.066 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 13.359 3.870 14.483 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 -13.667 -1.509 6.594 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 1.279 1.334 -5.246 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 21.298 -0.658 13.427 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 -1.337 -1.081 -5.680 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 4.468 -7.099 5.377 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 23.814 -14.064 -8.946 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 -12.250 -2.899 -11.072 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 -1.637 5.313 4.920 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 -20.133 -11.597 15.547 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 -13.296 35.690 2.073 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 0.167 -0.795 -4.522 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 -1.137 -15.247 -19.548 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 10.987 -7.664 26.872 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 0.760 3.642 2.923 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 17.161 19.405 4.343 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 -1.215 2.732 3.547 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 1.156 -10.117 8.386 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 -31.761 2.007 -30.330 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 23.190 -17.876 -1.540 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 1.021 3.118 -1.617 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 4.566 2.079 -8.283 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 2.752 5.478 -16.783 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 -2.897 -0.348 3.694 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 -6.994 -9.526 9.131 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 -0.594 -8.557 5.721 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 -7.149 4.426 5.157 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 3.194 14.003 6.307 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 8.561 12.634 22.752 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 -2.156 3.501 5.379 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 -7.709 -3.265 3.097 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 -2.772 2.722 5.288 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 -2.444 2.408 1.563 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 -12.117 3.808 0.036 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 11.313 15.888 10.253 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 3.601 -0.839 -0.032 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 -31.353 -4.379 13.968 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 23.476 -35.567 3.524 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 -5.972 -4.320 -5.795 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 9.524 -7.879 -8.689 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 -12.529 -0.969 -4.815 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 1.191 -1.368 -6.580 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 4.231 13.243 2.049 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 27.239 -4.719 2.252 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 0.657 8.005 3.115 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 2.030 3.715 -0.978 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 -3.499 8.032 3.931 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 1.368 3.428 2.523 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 -6.230 -5.463 -0.760 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 15.069 -0.750 -18.085 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 1.792 -1.270 -1.804 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 16.799 -13.568 -11.534 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 -12.268 6.278 4.906 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 -0.900 -1.800 3.130 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 -10.227 3.953 8.666 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 -30.763 29.862 -3.680 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 -0.182 -1.916 -4.679 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 -10.858 -13.881 -9.166 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 11.781 -9.301 0.674 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 1.203 -2.471 -4.719 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 -11.819 4.528 10.142 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 -12.144 -8.598 -7.401 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 -2.453 -3.303 0.168 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 -11.112 -5.705 -11.058 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -10.410 -15.349 2.689 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 1.462 -3.070 0.015 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 2.983 4.042 -10.286 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 -1.716 -9.445 -11.412 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 2.066 2.862 0.549 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 -16.388 5.444 4.064 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 6.342 -25.290 -4.500 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 3.032 2.681 -4.397 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 18.035 -2.180 6.353 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 -15.613 -10.337 5.273 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 -9.671 4.152 -3.426 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 -16.918 4.479 2.705 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 -1.868 8.859 -3.077 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 -0.099 -2.840 0.687 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 11.442 -11.812 -7.903 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 2.285 25.153 -8.953 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 -0.874 1.452 -2.535 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 3.050 -1.352 -2.968 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 -7.208 4.082 -10.634 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 -3.463 3.490 0.960 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 -2.586 -7.726 -16.792 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 -16.060 -8.908 0.379 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 5.052 0.089 5.669 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 0.355 -4.980 0.327 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 19.247 4.278 1.483 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 2.455 3.258 -1.451 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 -0.631 18.042 14.757 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 1.155 -2.210 -9.047 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 2.608 -1.426 -1.868 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 5.441 8.571 3.923 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 11.218 -1.554 -8.424 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 -0.793 4.197 7.734 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 20.392 10.738 6.265 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 6.509 9.770 2.189 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 1.859 -2.405 5.655 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 19.009 -10.218 26.834 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 18.179 9.792 -2.934 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 1.054 6.041 -6.659 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 1.704 0.330 -15.762 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 -5.772 -6.241 3.336 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 4.732 1.373 -1.530 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 -6.566 13.733 -6.017 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 -9.674 6.008 -1.859 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 9.219 -3.414 2.358 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 8.773 -16.660 -0.663 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 -9.709 11.894 -13.352 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 1.781 -1.503 -5.604 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 1.267 -1.145 -5.682 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 -9.265 4.984 -10.286 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 -4.076 1.741 6.634 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 12.428 -14.720 -6.105 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 -2.393 0.069 12.807 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 5.061 -1.124 -2.129 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 -14.903 5.785 -21.909 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 -12.909 5.917 7.739 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 -0.831 -4.882 5.452 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 9.126 11.406 6.795 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 13.749 26.093 12.405 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 0.333 0.085 -1.828 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 7.188 0.812 8.729 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 -26.180 8.031 -23.054 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 3.026 -0.978 -1.668 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 16.325 16.256 14.676 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 -4.237 -9.154 21.613 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 -3.183 2.601 -4.812 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 1.722 2.371 -15.650 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 -26.354 18.869 0.034 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 -1.955 2.045 -2.570 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 10.536 1.776 19.231 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 2.992 10.695 -13.655 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 1.270 -2.783 -8.294 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 7.663 1.769 -17.494 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 6.097 9.814 -25.698 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 2.307 0.602 -2.057 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 2.653 -12.847 3.637 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 -12.585 1.859 -8.125 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 1.745 1.057 -3.755 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 7.091 17.441 -17.427 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 -0.709 -2.069 -3.803 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 -7.564 -0.536 -1.100 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 -9.592 8.375 15.150 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 -16.995 7.274 -4.059 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 -2.678 -5.825 1.379 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 11.071 -3.594 9.605 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 -6.662 3.767 -1.487 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 0.577 -2.977 0.965 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 -3.935 -5.383 13.638 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 2.486 1.075 -2.507 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 -2.510 9.120 4.214 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 2.174 -4.073 -1.297 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 1.931 1.191 16.890 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 0.197 -2.188 3.012 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 3.936 -11.499 10.099 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 5.525 11.670 1.539 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 -5.003 1.469 -1.118 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 1.098 -6.846 -2.671 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 -2.794 3.306 -2.718 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 3.795 -4.547 -5.839 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 3.203 -5.755 -2.015 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 14.791 -5.516 -3.077 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 7.526 -5.651 0.510 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 1.533 -4.077 0.279 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 7.568 -6.417 -4.563 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 0.917 5.141 3.052 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 -7.163 4.471 -14.465 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 -16.154 -2.192 13.446 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 -2.125 -2.416 -3.096 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 11.774 -2.670 9.696 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 -14.599 -0.796 -18.968 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 3.857 -4.057 0.228 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 -3.332 16.464 -0.023 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 2.254 29.410 -5.278 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 -8.565 -2.176 3.077 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 -7.223 4.902 -4.182 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 -6.121 12.422 -12.488 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 -2.655 3.761 1.626 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 -0.827 18.855 5.126 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 -10.189 -18.621 -26.577 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 -0.764 -6.202 2.378 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 -11.755 -1.572 -5.117 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 5.926 -0.550 -3.860 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 -2.568 -4.540 -4.921 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 -6.101 -10.294 -6.435 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 5.006 6.706 2.134 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 3.935 -4.906 9.899 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 8.821 10.550 19.802 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 9.752 4.843 17.544 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 -4.181 0.424 4.651 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 19.745 -1.103 14.339 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 2.894 -3.049 -0.109 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 7.501 6.810 -2.008 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 6.246 5.915 -4.560 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 7.869 6.748 2.782 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 3.491 -5.474 -3.733 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 2.132 -25.212 -20.674 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 11.327 18.792 6.274 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 -3.740 -6.879 4.958 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 9.849 -12.616 1.171 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 -2.066 5.863 0.589 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 -0.512 7.538 1.398 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 -8.480 -11.257 0.702 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 -15.615 -16.573 3.344 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 6.250 0.967 1.865 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 21.451 17.820 1.495 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 13.217 -12.789 -20.886 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 -3.323 1.541 1.015 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 16.793 -26.995 14.773 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 27.265 -5.453 16.946 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 -1.791 0.176 -5.537 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 -2.686 -0.564 -3.455 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 -1.531 -10.618 -12.747 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 8.910 1.433 -5.897 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 32.974 7.079 1.161 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 3.465 -22.192 9.520 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 -2.592 0.559 1.257 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 9.537 24.717 -0.577 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 7.894 16.782 1.467 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 -5.201 6.891 0.705 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 -6.812 -0.934 7.274 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 -16.361 -7.612 -6.640 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 -3.232 2.223 4.128 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 -21.846 5.018 3.804 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 -2.117 -4.638 5.508 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 -3.573 0.648 -8.524 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 -21.230 23.669 9.243 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 2.863 -18.678 -6.015 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 -0.224 -4.142 -1.420 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 -14.443 -9.031 -10.437 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 6.954 8.308 -7.302 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 0.530 -3.749 2.464 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 6.101 -10.413 8.063 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 0.353 -5.597 4.134 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 9.007 -0.306 -1.359 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 -11.505 -19.425 1.253 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 -2.104 -12.244 7.133 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 2.492 0.260 0.638 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 8.408 -0.639 1.690 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 2.801 0.617 3.297 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 -1.396 -0.089 -0.962 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 -5.572 -2.891 5.730 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 -6.242 -2.067 -1.874 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 0.789 0.484 -7.289 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 -4.722 24.739 9.797 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 14.098 3.365 4.556 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 3.759 -1.082 -6.347 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 8.720 0.586 -2.208 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 19.632 3.874 17.987 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 5.861 4.012 -4.758 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 -2.874 -21.364 -28.618 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 10.381 17.211 8.205 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 -4.197 -3.066 -5.002 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 -13.006 18.927 6.939 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 4.356 11.942 -0.063 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 0.274 -7.752 -0.587 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 -13.527 -0.089 -14.247 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 -1.437 -17.461 5.114 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 5.426 -6.744 11.622 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 -3.417 19.556 13.323 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 14.369 -8.093 33.743 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 -0.014 0.839 -2.476 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 -4.024 2.752 3.435 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 -12.338 -3.652 -2.124 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 1.283 -7.134 -5.049 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 5.254 7.299 1.821 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 1.822 -21.473 8.941 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 7.315 2.049 -1.226 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 9.774 -12.551 2.312 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 10.893 19.763 21.292 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 -1.955 -6.502 3.357 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 -2.283 -8.092 0.606 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 -1.529 -3.848 1.859 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 -2.294 -3.799 -2.601 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 5.966 -1.248 -7.993 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 -15.963 -8.780 -13.859 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 -4.654 0.823 -0.214 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 -16.888 -12.620 -2.831 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 6.475 -11.598 -11.686 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 -0.783 -2.273 -4.604 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 -0.483 0.758 4.146 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 -0.231 -4.617 27.101 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 1.096 -6.097 0.321 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 -5.414 7.216 1.243 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 15.018 -1.300 -0.086 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 3.397 2.764 -3.320 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 -5.128 3.488 -25.725 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 -1.267 6.314 7.852 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 3.912 5.370 -1.871 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 20.505 21.118 -2.715 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 -8.928 -3.133 -2.387 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 -2.245 3.352 -1.421 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 9.470 -14.968 -10.925 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 -0.114 -10.038 14.215 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 2.788 0.839 -0.342 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 -7.962 16.821 31.908 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 -10.825 -2.996 -1.419 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 -1.009 1.662 3.175 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 15.320 -9.451 -10.825 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 -24.324 -17.008 24.837 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 1.872 -6.206 3.704 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 3.651 -42.323 -5.352 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 -1.067 24.169 11.709 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 -1.244 -4.396 5.738 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 -9.640 -26.791 5.267 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 8.289 -13.692 -3.676 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 -3.260 4.632 3.915 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 -16.244 21.210 -18.002 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 4.687 -6.482 -8.173 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 5.064 0.345 -4.715 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 7.978 -1.801 -8.854 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 -1.213 -2.234 -13.225 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 -2.428 0.436 -0.504 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 0.635 -1.201 3.764 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 4.757 -0.597 -14.056 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 -2.275 11.093 -0.340 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 3.520 12.837 -0.053 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 -2.615 1.601 -14.609 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 0.113 6.830 -6.405 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 -7.132 9.621 -16.895 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 -21.474 7.785 0.593 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 5.120 0.541 2.097 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 12.481 -1.574 12.674 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 -9.381 7.628 -3.076 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 -1.475 0.536 2.157 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 -7.445 -9.643 -0.835 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 -8.869 5.605 1.170 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 -0.879 9.088 -2.376 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 17.331 18.706 -3.485 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 -19.637 11.881 -10.005 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 -1.746 0.278 1.091 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 3.693 4.470 14.355 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 12.213 12.607 8.621 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 5.280 1.763 1.761 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 2.141 9.907 5.464 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 20.287 -35.910 2.801 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 1.107 -0.881 3.456 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 -10.459 7.873 -5.423 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 16.448 11.323 4.538 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 -4.758 0.994 -7.124 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 11.552 34.698 -0.354 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 -22.267 9.966 -10.754 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 -0.008 -1.843 2.344 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 11.166 -13.684 -3.383 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 11.984 22.888 12.732 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 0.378 -6.904 3.083 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 22.412 17.849 3.700 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 8.678 7.707 0.445 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 -3.280 -4.212 4.156 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 -2.215 5.366 15.726 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 -14.027 -0.028 -0.446 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 2.046 4.169 -4.734 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 4.958 -4.049 -17.924 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 -26.816 -4.089 -1.165 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 3.872 1.334 -2.442 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 -0.425 5.551 -10.701 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 13.146 -2.269 0.338 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 -3.535 -0.192 -1.656 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 39.322 3.774 32.298 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 -5.990 -9.254 1.932 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 2.308 3.016 -0.493 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 0.747 18.615 0.012 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 -4.450 -8.794 -15.987 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 -5.666 6.286 0.155 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 -4.065 14.025 -6.954 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 15.308 -11.385 22.800 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 3.861 -2.744 4.229 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 10.178 -0.947 4.187 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 -13.004 -10.623 1.198 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 -0.333 4.287 -9.171 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 -4.115 -18.453 -13.413 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 18.645 5.123 2.929 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 -0.976 1.437 -3.592 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 -2.570 18.477 -5.322 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 12.925 6.194 -30.472 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 5.016 -5.726 -3.874 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 -5.105 -5.354 -9.521 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 -9.778 -1.151 -16.694 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 -0.852 -0.351 6.549 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 23.049 -5.298 11.091 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 1.273 -4.615 22.975 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 2.120 -1.212 5.192 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 -4.906 -11.079 7.670 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 4.977 7.357 8.616 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 -4.688 4.231 -5.106 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 -3.994 -1.387 -4.717 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 -3.574 5.666 1.446 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 -0.045 -7.042 10.557 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 2.882 -6.431 7.718 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 14.610 11.748 -16.573 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 -4.415 -1.861 -4.899 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 -9.548 -2.825 -3.066 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 -6.354 4.806 -4.103 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 1.618 -0.369 5.129 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 -16.574 11.056 0.613 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 -17.483 5.919 -17.417 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 10.961 0.025 -5.145 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 11.463 -2.434 1.019 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 -2.165 -0.917 1.836 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 -0.308 -1.827 -6.096 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 -15.770 -12.035 9.712 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 6.943 8.877 6.698 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 -0.361 6.530 5.080 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 -0.897 -3.295 -15.512 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 19.111 1.154 12.671 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 -0.840 1.717 -8.205 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 -6.643 -24.061 -1.247 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 0.282 26.626 30.244 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 0.799 -0.189 -5.522 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 2.569 12.834 -5.423 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 2.735 -13.030 14.987 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 2.127 6.452 -0.728 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 -3.069 5.174 -13.327 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 11.639 9.265 19.670 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 7.122 3.399 -5.462 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 6.700 2.120 -2.220 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 3.915 5.483 -10.099 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 4.403 -0.584 -6.771 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 -7.947 -3.685 -6.333 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 6.603 3.983 4.066 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 -1.263 4.573 2.370 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 -13.105 45.979 -29.850 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 -16.673 5.860 3.926 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 2.150 -6.139 -6.741 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 3.895 -0.512 -1.555 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 8.628 -7.560 -11.129 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 -1.060 0.620 -2.687 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 8.649 -11.415 10.586 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 -9.455 8.356 16.849 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 1.743 -2.653 3.134 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 12.549 -12.361 -19.193 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 7.851 -18.714 -11.635 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 3.621 5.057 2.100 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 -3.313 14.812 -0.008 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 16.260 -16.511 -7.202 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 0.894 -0.836 3.880 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 -5.061 17.856 -9.599 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 21.429 -8.746 -9.421 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 2.966 2.788 -1.383 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 10.582 33.036 -14.049 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 -5.656 -23.783 7.060 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 0.440 -1.638 -1.037 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 -4.482 -0.891 -2.544 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 -8.061 0.124 -3.464 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 2.645 -1.143 -3.015 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 -25.004 -2.043 6.293 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 -11.036 -2.017 10.755 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 10.434 -0.524 1.948 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 10.875 -3.476 -2.191 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 10.463 -1.165 0.903 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 1.599 -0.779 0.619 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 -2.436 -6.598 3.455 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 -17.600 8.287 -7.460 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 0.105 0.196 2.850 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 -27.615 4.098 -17.078 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 -7.870 -8.440 -16.155 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 -4.101 -8.101 1.719 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 -5.095 -6.223 -9.471 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 -7.932 -9.418 -14.787 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 1.320 -8.657 1.135 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 1.765 -9.094 0.373 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 5.752 -11.729 -6.430 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 -0.573 4.507 0.268 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 -19.049 10.152 -18.434 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 7.545 15.617 22.762 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 -2.050 0.926 -2.593 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 1.760 1.832 14.769 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 -4.149 -3.902 13.664 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 -3.817 -1.815 -3.669 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 5.674 -6.858 -5.344 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 -8.297 -4.896 -0.201 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 -3.004 -3.786 7.402 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 6.459 -3.744 5.660 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 12.974 -2.087 4.460 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 -2.683 0.711 -1.018 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 14.115 12.790 -6.971 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 -18.410 10.501 2.893 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 1.212 -1.913 -1.864 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 9.476 -1.128 0.892 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 -4.584 3.882 -0.823 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 -1.428 0.309 1.561 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 -0.476 6.796 14.398 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 9.685 -8.898 -8.472 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 2.646 -0.014 5.775 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 33.045 3.841 4.239 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 -6.652 -17.039 -16.382 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 -4.611 4.194 -1.917 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 -0.460 -2.087 -15.799 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 4.258 -3.166 9.306 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 1.824 4.165 4.269 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 -15.076 -21.785 1.495 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 3.327 -14.209 -32.203 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 2.197 -0.640 5.825 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 -0.238 6.745 -2.716 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 -10.555 -10.452 17.295 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 -2.712 0.565 1.600 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 17.143 10.199 -0.823 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 13.165 -0.298 1.601 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 4.635 -1.374 1.797 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 15.174 15.609 4.995 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 7.336 3.461 -24.664 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 4.821 -6.588 4.132 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 -14.038 -21.588 13.922 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 2.234 1.402 -14.875 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 -3.918 -0.530 0.720 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 1.923 -7.337 9.494 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 -11.660 -1.205 -21.671 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 2.817 8.240 3.219 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 7.064 16.393 1.371 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 -9.345 1.850 17.027 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 1.084 2.673 -5.254 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 1.580 5.898 -1.714 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 5.134 6.808 -5.147 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 -0.295 4.444 3.431 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 -3.160 23.520 4.574 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 6.363 -6.522 3.604 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 3.120 -1.428 0.060 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 -3.020 28.021 -2.693 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 0.552 10.652 -0.317 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 1.253 -7.213 3.806 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 -0.422 -10.111 8.825 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 -1.427 -5.867 -13.588 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 -1.799 0.625 -2.981 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 -32.858 9.474 1.553 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 19.201 9.007 -3.205 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 -0.196 3.976 1.974 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 25.014 14.715 -10.680 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 13.507 -14.124 15.672 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 -3.700 2.627 -9.294 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 -5.206 -19.509 -25.148 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 5.586 2.261 1.590 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 -8.094 0.821 0.847 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 -11.457 1.587 4.002 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 -3.587 -10.913 2.926 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 4.022 -3.138 2.784 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 -3.779 3.518 0.335 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 11.114 -0.734 0.345 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 -0.799 4.781 -5.912 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 -6.316 5.176 -2.575 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 -2.439 -16.658 -16.344 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 -0.703 -6.510 -4.832 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 -8.549 1.742 4.868 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 2.405 -10.662 18.354 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 0.134 -1.949 2.518 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 -0.611 -1.286 3.095 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 2.496 -3.395 1.754 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 8.579 -1.528 0.410 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 -1.036 -20.248 2.804 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 10.803 0.852 -3.631 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 1.813 -4.243 14.667 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 -0.613 4.173 32.919 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 -0.635 -6.462 -17.576 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 -3.465 1.416 -3.339 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 29.447 -11.292 -11.918 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 1.680 15.284 0.751 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 5.307 -4.354 1.693 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 6.868 7.050 -6.034 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 12.090 -7.940 -6.826 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 3.656 -0.195 0.303 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 -4.402 17.823 14.331 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 15.433 6.723 -8.830 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 -6.928 -2.185 0.007 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 -9.437 4.707 -0.583 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 1.410 -3.654 5.656 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 2.869 0.896 2.027 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 -5.089 -10.585 1.867 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 25.419 11.442 26.839 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 3.299 -1.338 -4.367 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 8.516 24.574 2.668 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 20.202 14.315 9.045 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 -4.050 -3.314 -5.682 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 -4.364 9.643 10.540 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 -5.106 10.714 -0.877 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 10.088 0.109 0.896 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 -0.913 -29.709 -12.714 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 8.324 -4.653 -3.299 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 0.148 -0.078 8.013 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 -30.657 -7.575 -15.465 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 9.751 -4.343 -2.224 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 -2.680 0.216 -2.509 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 19.706 2.016 -6.613 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 2.993 -2.767 3.584 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 5.947 2.028 -0.531 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 19.639 -28.053 -22.084 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 -0.210 3.048 -8.272 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 -3.994 2.720 2.342 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 9.064 12.014 -7.402 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 0.875 2.265 17.954 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 -0.971 -3.880 -5.831 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 4.767 0.301 -5.806 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 -5.605 0.206 -0.977 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 2.313 3.748 1.125 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 4.224 -6.809 -0.682 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 9.698 7.024 -18.218 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 -3.291 4.310 -2.138 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 9.210 -3.530 25.067 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 -2.991 -9.659 -9.924 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 6.889 -6.856 2.685 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 -6.852 7.512 -19.131 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 10.553 16.490 -30.127 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 7.446 1.100 -7.517 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 4.280 -8.069 -22.355 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 9.716 1.748 -6.450 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 -2.345 2.007 3.680 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 30.458 8.661 7.372 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 2.468 -7.724 3.610 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 2.810 -8.977 -0.172 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 16.467 24.030 -20.570 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 2.191 -8.933 3.965 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 0.278 -1.030 3.689 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 5.566 -5.147 -9.150 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 -14.678 9.583 -2.090 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 4.028 2.220 0.169 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 -3.624 13.268 13.999 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 -0.875 -0.104 13.133 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 5.281 -4.660 3.145 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 8.268 -5.078 0.871 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 1.254 -1.909 -5.625 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 -0.070 -0.463 -0.882 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 -3.470 -4.771 2.648 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 -7.220 17.017 -0.644 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 -2.951 -0.070 1.004 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 5.598 -18.354 7.515 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 15.660 -13.511 13.598 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 -2.408 -2.073 3.129 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 -6.600 4.220 12.487 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 -22.413 22.698 1.377 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 -3.906 2.079 -4.208 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 -9.726 0.903 1.646 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 19.143 -6.421 -19.807 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 0.636 -3.102 1.584 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 4.619 12.493 7.071 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 -7.274 -16.200 5.612 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 0.139 -2.887 -3.284 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 0.798 -10.893 -10.420 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 -7.844 -2.930 1.827 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 0.535 5.086 -0.677 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 16.276 14.081 8.900 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 24.584 -6.411 17.797 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 0.416 2.450 0.445 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 -7.863 0.500 1.096 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 0.134 1.538 2.596 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 -1.573 -3.527 0.952 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 15.510 -19.301 -0.148 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 -9.468 -2.809 -7.687 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 4.302 -5.329 1.160 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 5.070 -7.417 -2.984 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 11.554 -2.638 7.122 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 -1.800 2.592 -4.771 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 -14.416 4.224 -11.986 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 -8.559 5.492 -13.291 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 2.113 1.213 0.477 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 5.485 -15.789 -4.388 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 16.690 -17.223 -7.593 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 0.331 2.038 -1.340 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 0.388 6.141 3.684 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 -4.713 3.997 -5.511 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 -7.076 0.684 -1.999 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 0.844 -17.151 20.825 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 1.527 14.743 -9.585 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 4.842 -1.109 4.146 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 4.531 0.641 0.157 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 5.938 0.010 6.301 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 -6.462 2.236 -3.602 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 12.177 9.618 -3.331 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 5.051 11.223 -26.609 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 -4.720 1.392 -7.175 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 -10.868 2.131 4.806 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 -3.457 3.764 -13.247 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 -10.712 3.136 -0.465 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 -9.684 5.140 8.293 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 -0.105 3.127 2.907 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 -3.338 4.702 5.307 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 -1.538 20.637 -8.506 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 17.071 -0.577 -1.917 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 2.362 2.254 13.434 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 -0.259 10.209 -12.446 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 -5.240 14.107 1.065 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 -6.167 -0.726 -3.656 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 19.549 -21.563 9.894 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 16.112 -19.833 11.461 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 -2.330 -1.795 -1.994 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 -25.507 15.394 -44.836 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 -5.520 -0.453 15.388 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 0.868 -7.367 -3.241 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 -3.049 -21.843 35.074 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 15.659 7.036 -0.519 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 1.009 0.329 2.397 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 10.616 -13.968 -3.668 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 -0.479 -16.574 13.732 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 3.380 -5.033 -3.478 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 7.761 17.906 -3.491 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 -7.602 -9.972 -21.027 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 2.635 -2.944 1.004 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 31.403 -6.257 -19.554 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 -7.033 -2.871 8.123 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 -0.763 -3.148 4.736 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 3.687 -6.752 2.435 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 1.262 -10.099 8.496 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 4.205 -6.016 -1.867 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 -1.682 -6.658 -24.355 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 26.464 -8.553 3.018 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 1.090 -1.506 -8.718 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 -2.759 -2.123 -4.963 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 4.318 -8.849 -19.306 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 6.906 -3.988 -3.497 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 12.979 -13.319 10.266 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 4.819 22.161 -22.737 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 -4.697 -0.587 1.795 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 2.411 3.971 -19.539 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 14.718 4.224 -24.266 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 7.164 -1.137 -2.002 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 2.158 -12.216 -11.567 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 12.235 -0.786 -11.718 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 -7.679 4.255 2.323 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 -10.254 7.427 17.443 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 7.958 -6.118 -32.668 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 -0.908 -3.039 0.842 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 7.070 3.806 9.867 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 12.428 9.032 18.602 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 -1.666 -0.483 2.346 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 -4.410 -3.426 -3.247 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 3.395 9.751 18.864 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 -0.027 -5.268 -5.846 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 -1.934 -3.785 -12.344 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 -5.850 -38.473 10.597 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 1.986 0.140 1.743 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 0.316 -8.062 -4.975 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 10.526 12.740 -1.161 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 3.322 7.808 -3.608 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 6.515 7.928 -7.896 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 2.066 2.361 -4.424 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 -4.184 -4.483 6.944 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 16.320 32.048 -27.317 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 -9.029 -5.321 14.889 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 3.258 0.516 0.975 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 -16.309 -11.071 -8.277 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 6.900 -11.837 -13.650 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 -5.151 8.401 5.888 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 -8.220 2.640 7.171 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 1.038 11.410 8.949 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 -3.745 1.846 3.817 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 -7.881 5.510 -2.550 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 4.157 -4.791 16.041 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 6.077 -3.058 -2.889 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 4.003 20.898 5.167 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 -0.647 -10.649 -17.063 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 -0.738 -3.528 4.098 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 26.464 6.379 16.174 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 13.881 -25.253 13.011 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 3.302 3.611 2.548 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 15.054 6.272 0.235 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 -3.125 9.797 9.593 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 -5.037 -0.877 -6.488 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 -14.403 1.658 -7.074 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 -4.007 -10.884 -0.282 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 2.927 -3.957 -1.796 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 -16.387 -0.311 0.705 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 -10.626 -21.833 -14.052 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 -1.104 1.454 1.057 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 -2.680 26.578 -4.730 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 3.376 -12.645 4.937 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 -3.099 1.674 -2.162 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 13.178 -11.979 3.100 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 -10.230 -12.999 14.961 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 -3.424 -1.585 2.306 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 4.946 13.121 -0.848 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 -13.676 14.148 4.898 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 -1.300 2.783 -5.157 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 19.743 10.677 3.991 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 -0.337 -4.344 -10.820 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 -2.741 0.925 -0.495 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 2.649 -10.054 -3.077 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 -9.435 7.423 3.279 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 -5.997 -7.960 -1.974 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 6.687 6.537 -9.664 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 -17.283 -8.921 -15.744 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 -0.004 4.486 -1.217 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 -13.603 -0.940 1.566 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 4.305 -0.181 -2.698 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 -2.638 3.819 0.556 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 -14.676 -0.982 0.758 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 4.170 -4.215 -7.602 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 -6.474 5.980 3.402 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 -13.963 -2.392 36.425 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 -25.474 6.111 13.883 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 4.774 -0.166 1.123 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 5.192 -10.951 2.902 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 2.839 1.272 14.403 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 8.156 -6.528 -0.740 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 13.837 32.127 6.688 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 16.773 -18.299 -0.071 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 -1.430 -3.573 -6.220 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 2.477 -8.458 9.414 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 0.867 0.658 -19.847 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 -0.136 -2.470 0.621 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 -8.462 -0.398 -15.461 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 -17.100 -16.899 6.498 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 -0.943 1.249 -4.774 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 2.323 0.783 7.665 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 -5.515 -3.656 -7.040 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 -7.354 -7.272 -3.691 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 -13.136 -4.859 -41.426 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 5.553 -6.540 -18.055 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 -5.112 -1.442 1.399 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 -1.123 -0.641 -12.245 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 -5.218 8.393 21.037 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 -1.623 4.593 0.188 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 -8.393 -4.204 6.954 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 9.091 8.351 -5.217 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 -3.020 0.329 1.870 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 -6.042 -0.611 -22.520 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 -3.804 13.112 5.134 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 -0.295 -9.481 -2.864 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 -22.127 23.883 -20.452 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 0.021 -10.042 2.480 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 -0.188 -1.940 -0.845 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 5.672 -2.623 -1.352 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 -5.383 -5.207 12.100 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 -2.684 -6.546 -11.195 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 26.761 -12.285 -2.557 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 -14.695 2.192 14.862 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 -1.079 -2.708 -3.025 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 8.802 9.515 -1.616 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 -5.116 -24.679 10.626 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 1.936 -2.751 4.660 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 3.760 -4.390 -13.273 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 6.134 0.429 22.047 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 0.578 3.889 -3.972 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 12.138 10.428 -12.451 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 -2.553 2.214 -1.314 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 8.744 -0.285 -0.699 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 3.752 3.549 10.512 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 -0.146 0.771 7.914 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 0.129 6.818 -0.367 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 12.897 13.337 1.839 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 -10.415 18.392 6.086 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 -5.665 -4.166 2.753 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 5.013 -0.552 2.565 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 -11.617 -2.785 11.755 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 1.580 4.839 5.573 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 -23.561 1.055 11.228 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 -17.311 -1.351 -1.300 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 -0.201 3.669 1.017 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 9.952 11.428 7.435 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 -11.197 8.116 0.639 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 -0.085 -2.262 -0.146 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 0.730 -5.660 -5.847 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 0.395 0.536 7.156 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 0.091 -8.472 -1.312 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 12.749 -21.894 2.106 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 8.161 1.742 -0.859 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 6.163 -2.955 3.216 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 22.046 4.686 5.368 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 3.360 -2.910 -15.536 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 7.146 -1.781 -8.218 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 7.746 2.444 -6.938 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 7.384 -34.984 -9.855 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 5.452 -2.364 1.033 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 11.628 5.198 -1.817 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 2.695 -6.866 3.129 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 2.485 -3.556 -1.013 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 35.018 -2.069 34.427 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 -13.118 4.436 11.661 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 2.437 1.939 -3.720 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 2.428 3.175 9.095 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 17.733 0.004 -5.103 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 3.776 4.343 -1.078 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 0.206 -12.441 -2.580 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 5.347 5.779 7.260 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 2.490 3.514 -0.286 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 -10.031 -11.015 20.360 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 12.269 8.024 1.843 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 3.792 -1.232 -7.073 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 15.703 -9.597 1.629 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 -7.193 1.671 3.903 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 1.881 -0.326 -2.983 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 11.260 -0.739 -6.152 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 5.354 -0.523 -3.923 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 -4.465 1.360 -6.960 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 11.277 -7.016 19.725 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 37.141 18.773 -31.616 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 0.162 -2.170 3.557 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 13.862 14.433 -4.447 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 -8.472 -16.918 -9.673 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 1.786 -1.490 0.568 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 6.282 3.280 -1.843 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 -15.471 -7.792 -0.152 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 -1.547 1.779 6.236 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 -4.551 1.042 13.063 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 7.504 -6.458 11.463 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 1.261 -0.034 1.132 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 -8.411 8.183 -14.219 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 4.368 -2.374 4.924 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 -4.258 -3.999 4.018 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 5.231 21.369 -19.229 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 15.264 -13.815 10.225 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 4.286 -1.274 2.532 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 -11.480 -11.035 22.326 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 8.506 3.281 -4.468 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 -2.441 -6.017 2.643 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 -7.940 -13.250 8.371 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 -9.949 -14.120 -8.932 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 -0.984 4.143 -5.720 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 2.676 -1.896 -15.364 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 -0.522 -1.866 0.677 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 -2.067 1.336 3.761 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 -12.728 -9.125 -1.725 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 6.506 -6.713 13.041 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 3.665 -1.538 2.732 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 -13.249 -5.896 15.380 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 8.040 -10.696 8.169 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 1.821 1.601 -5.151 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 4.561 -10.224 -3.731 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 5.705 -6.575 4.829 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 -3.965 4.781 5.291 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 -19.473 10.090 0.343 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 4.088 17.812 11.204 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 0.542 -0.616 -0.877 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 -38.127 -6.763 16.632 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 33.866 -12.837 31.072 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 -1.863 -1.590 1.828 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 6.986 5.113 0.633 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 9.074 2.763 5.292 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 -3.075 3.494 3.903 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 6.168 2.499 -0.019 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 -2.132 7.272 -2.687 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 -1.042 -1.841 -0.266 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 -5.636 12.497 6.923 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 0.251 -6.562 -1.755 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 -1.623 -2.807 9.909 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 -5.389 4.424 2.536 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 -9.941 -18.071 -0.295 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 -3.211 -0.639 -1.048 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 -10.810 -3.216 0.326 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 8.728 28.150 -18.435 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 6.487 -1.745 -2.658 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 -3.294 1.950 -19.441 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 24.025 4.722 -5.635 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 1.024 0.816 -7.134 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 6.512 2.244 22.883 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 12.178 -24.902 -19.860 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 2.731 5.557 3.128 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 36.867 23.760 5.660 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 -3.610 -6.216 -2.442 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 -4.946 4.684 0.247 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 20.350 -1.369 -3.231 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 5.824 7.982 1.434 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 1.545 -2.948 -3.368 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 -3.074 -4.701 2.678 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 -18.244 16.116 -9.968 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 -1.275 -1.457 -5.642 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 6.627 -16.965 12.883 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 -12.085 0.635 -1.572 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 3.101 -1.401 -2.788 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 3.420 18.454 14.644 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 -6.658 4.950 -7.605 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 2.247 5.189 0.029 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 4.675 -3.906 8.378 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 -9.683 22.721 -6.895 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 0.902 -1.274 0.405 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 8.819 3.564 3.081 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 5.694 -8.680 -5.066 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 -4.939 -0.013 -3.412 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 -2.317 1.850 5.587 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 -19.365 -10.523 16.580 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 2.174 6.504 -5.389 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 5.529 -4.332 1.567 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 0.758 3.171 -18.048 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 4.941 2.509 0.777 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 2.576 -8.613 3.403 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 42.842 -24.261 3.662 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 -4.638 -3.257 -1.146 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 19.620 -4.470 24.904 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 1.269 -10.959 9.970 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 -3.428 0.813 1.962 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 -26.757 2.087 0.471 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 13.127 -12.007 12.912 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 7.971 -5.891 2.804 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 9.976 2.634 -6.947 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 0.191 10.048 1.973 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 0.147 -2.818 2.907 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 -5.767 -11.051 26.247 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 -5.557 -21.306 -12.217 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 0.983 -2.631 -5.243 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 19.548 -4.124 3.439 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 -12.713 3.105 -10.270 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 3.166 11.816 2.741 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 9.799 7.164 5.739 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 20.822 7.056 -3.833 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 -4.915 -3.338 -0.788 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 -7.740 1.669 3.414 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 7.211 7.031 4.157 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 1.243 6.511 -9.958 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 -12.464 4.307 -6.645 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 -30.528 -27.688 -14.740 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 -1.654 0.347 -1.421 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 20.891 -3.599 18.598 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 -14.373 14.946 14.938 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 -2.936 4.492 3.737 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 -3.489 11.099 3.960 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 -0.208 -3.943 1.735 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 2.498 -0.226 -4.643 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 -29.647 -6.292 -16.940 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 28.972 -20.763 5.476 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 -2.049 -3.476 -1.642 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 10.667 3.264 10.373 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 -12.751 -39.357 -10.981 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 -7.816 7.765 0.717 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 -14.551 5.549 8.993 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 -15.244 1.691 -8.082 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 -3.110 3.895 0.641 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 -9.902 -0.651 -13.939 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 -14.709 0.449 11.897 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 -3.518 -5.817 7.111 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 -5.310 -0.894 -6.677 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 1.044 -12.916 29.374 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 4.098 -0.498 0.848 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 16.142 -6.871 -4.633 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 -11.306 3.479 3.674 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 -11.949 -9.563 6.970 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 6.385 -24.958 5.126 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 8.526 32.042 19.555 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 1.665 1.567 -4.855 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 -4.417 -8.865 2.904 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 -5.269 3.804 0.598 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 1.711 -6.543 1.915 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 -8.252 -5.893 17.428 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 8.229 -0.603 -4.657 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 3.168 1.047 -10.316 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 -2.525 -10.999 -6.159 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 10.125 -14.134 -6.318 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 -0.961 7.291 -0.259 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 -26.494 11.279 -18.547 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 12.496 -4.907 -6.067 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 -1.180 -1.323 7.814 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 5.682 -10.104 16.235 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 -9.163 2.302 7.879 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 1.120 3.126 -0.153 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 -17.768 -12.058 9.786 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 -17.418 -18.536 -19.820 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 2.513 3.448 -3.957 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 7.265 5.218 -5.673 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 -4.844 8.297 1.507 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 -4.360 -5.111 -5.403 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 -16.946 3.321 -0.890 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 0.684 -2.769 -17.119 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 -0.041 -1.541 5.821 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 16.277 -1.443 3.497 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 -22.016 -2.351 -7.343 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 -1.310 -4.535 -3.694 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 -7.970 -8.350 -5.944 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 -9.541 -21.721 -8.922 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 -0.688 -3.859 -4.974 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 12.101 -20.777 -11.027 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 12.199 -10.371 -15.170 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 2.273 1.335 4.444 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 2.482 -3.541 5.713 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 12.532 1.866 -3.700 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 1.306 4.742 -3.670 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 -4.246 17.558 -6.365 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 13.247 -16.586 10.636 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 2.226 2.313 -3.487 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 -14.508 0.215 -6.690 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 -5.173 -8.657 -11.320 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 -0.090 3.412 -3.917 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 20.512 -15.073 -11.067 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 0.546 -19.439 -7.453 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 2.732 -1.358 -1.926 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 -29.249 12.501 2.959 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 23.972 17.028 15.044 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 -0.132 1.555 -0.107 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 6.679 0.605 21.122 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 13.305 -9.902 -12.717 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 -1.637 -8.646 3.845 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 1.052 34.824 -6.127 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 3.576 23.293 -8.415 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 4.822 -2.140 4.526 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 -28.729 -4.429 0.875 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 11.461 4.719 -6.240 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 -0.688 1.223 -0.834 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 1.970 6.071 -21.622 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 7.450 2.139 -5.345 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 3.799 -4.111 -2.001 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 0.914 -4.170 6.636 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 15.004 -7.617 -1.371 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 8.147 10.079 2.881 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 10.539 32.217 -4.897 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 17.583 -15.394 -3.513 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 2.355 2.937 1.740 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 -20.678 -13.246 13.790 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 11.971 1.831 5.942 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 -1.225 4.954 0.633 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 -8.580 11.827 7.373 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 -2.718 14.626 -17.128 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 -0.701 -1.419 -2.587 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 -13.276 9.616 10.733 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 11.476 -9.497 5.888 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 -0.570 -1.818 -4.990 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 13.801 11.814 -0.174 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 15.335 -35.863 -0.221 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 -0.282 1.307 3.000 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 19.725 6.599 -0.159 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 7.246 -12.403 -22.457 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 -2.184 1.054 1.893 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 -4.460 -0.209 -14.525 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 -8.969 21.330 6.333 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 -3.687 4.048 7.837 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 1.820 8.983 0.880 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 -8.521 2.057 9.070 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 0.126 0.287 4.605 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 2.002 -7.513 -11.423 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 -14.697 13.429 3.722 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 7.556 -3.665 -4.252 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 -7.866 26.339 -20.539 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 -2.056 5.723 30.840 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 -0.201 -8.251 4.088 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 -13.216 -11.447 6.064 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 -6.429 -6.745 -16.406 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 2.536 7.642 3.176 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 -4.692 10.985 32.145 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 7.614 -7.230 -9.281 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 -0.871 6.392 5.647 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 -28.180 -32.570 9.448 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 1.917 5.274 4.440 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 -7.227 -2.050 -5.520 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 13.995 -4.487 -7.548 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 -26.770 1.380 -25.524 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 -1.136 -6.272 -2.913 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 -12.386 -15.295 17.751 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 -20.996 23.814 -3.983 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 -0.319 -0.394 -3.398 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 7.505 7.667 3.013 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 -8.363 -6.612 4.800 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 -0.967 -6.297 -2.570 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 -2.468 -12.516 -2.792 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 2.311 -5.858 -6.196 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 -4.515 6.312 -4.139 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 -9.447 -6.197 1.254 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 -8.235 -9.603 2.930 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 3.635 1.997 3.021 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 1.758 8.610 -1.137 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 3.565 0.049 -0.722 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 0.583 -0.993 1.606 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 -15.485 13.683 15.801 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 6.394 -6.692 -10.105 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 -6.429 -3.783 -5.882 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 -5.741 -4.469 -8.878 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 -8.717 -0.913 -4.736 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 4.402 -0.982 -7.174 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 2.108 -7.211 -25.424 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 27.757 -11.486 0.963 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 -2.182 0.620 0.971 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 -10.606 3.775 10.702 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 0.153 -3.423 16.362 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 -5.741 -1.342 -0.990 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 -4.817 5.557 6.251 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 -8.425 3.816 -8.266 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 -1.295 1.310 1.168 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 -19.105 1.984 3.217 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 9.354 -2.254 -5.302 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 0.074 -1.022 1.742 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 19.596 -11.579 10.373 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 -0.858 12.059 -9.829 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 -0.059 2.387 0.949 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 2.239 4.516 8.369 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 5.221 6.589 3.401 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 0.780 -0.305 0.704 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 10.615 12.510 -1.378 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 -9.168 3.674 -22.410 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 3.986 -4.713 0.577 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 -10.674 5.653 4.870 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 -20.837 3.813 -18.810 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 -1.481 2.890 -6.043 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 -13.761 4.056 6.690 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 1.260 11.317 -4.075 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 6.532 -0.891 5.096 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 -6.096 1.792 -2.518 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 12.755 -20.071 -0.554 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 1.246 3.170 1.357 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 3.189 -27.685 5.461 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 -0.894 4.883 -6.458 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 1.693 0.768 3.573 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 1.453 1.011 3.793 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 -10.274 -0.165 1.413 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 -4.169 -2.263 -5.340 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 -7.086 -1.224 3.371 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 -8.484 6.526 0.666 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 -10.135 -2.430 -6.099 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 -11.714 -14.164 -16.329 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 -31.679 -10.205 -11.176 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 2.444 3.236 -2.636 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 5.445 17.208 -7.248 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 -3.553 1.772 0.358 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 -0.497 -4.145 1.544 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 -2.618 -9.882 -1.424 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 0.465 1.476 22.518 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 -4.725 2.517 -3.878 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 -9.345 -11.835 2.924 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 -5.440 -6.246 1.741 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 -0.829 -0.759 2.699 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 2.804 14.614 -14.751 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 -2.676 -8.235 9.554 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 -2.065 5.038 -4.462 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 -13.489 2.394 -7.097 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 1.886 0.124 -11.143 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 -4.778 -2.829 3.356 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 -26.498 -27.256 -2.557 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 3.806 16.257 -13.374 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 0.725 4.016 -3.599 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 5.675 -10.432 14.795 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 6.115 -11.200 23.376 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 -0.893 2.369 3.900 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 6.549 17.170 13.307 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 -1.221 1.899 3.365 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 -1.785 1.239 -7.638 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 -9.002 -2.743 8.872 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 -15.885 9.309 -8.666 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 4.296 -0.463 4.680 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 4.852 -28.067 -14.630 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 3.955 -9.598 -0.176 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 2.351 -0.991 -0.476 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 -1.891 -5.092 16.731 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 -3.976 -14.882 -8.986 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 -4.777 10.195 -2.557 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 -1.525 4.374 4.275 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 -13.435 11.000 2.520 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 1.200 -4.563 1.471 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 -3.918 9.242 -18.936 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 -6.811 -0.273 10.441 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 2.859 -0.213 3.649 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 25.830 4.342 3.590 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 -1.798 22.877 12.895 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 4.569 0.478 -3.010 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 1.486 -6.829 13.757 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 9.981 7.256 -22.171 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 6.086 -3.063 1.305 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 -15.564 -22.129 -7.393 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 1.539 0.476 19.090 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 2.624 0.779 -8.728 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 13.549 -2.028 -2.430 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 4.480 -4.472 -37.005 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 -0.539 -1.748 -0.139 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 1.059 -11.110 4.313 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 7.860 6.218 -1.507 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 -4.767 4.364 3.895 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 -5.226 5.189 2.004 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 -9.307 5.526 -12.164 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 -0.360 -6.078 4.359 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 -4.378 -3.501 -26.456 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 -15.292 -37.197 11.323 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 0.882 -1.979 2.857 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 -2.714 20.034 -3.433 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 20.517 -3.178 10.258 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 1.753 -0.742 -2.720 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 8.641 -0.290 0.183 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 10.990 7.308 -18.543 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 0.197 -4.372 -2.075 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 -4.480 3.267 -10.368 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 -5.892 -8.140 11.831 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 -3.918 -1.651 4.689 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 -2.325 -1.978 1.580 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 1.136 -5.886 -9.338 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 7.996 -0.416 4.771 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 4.287 18.123 -2.333 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 -0.472 5.795 3.279 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 -0.019 -0.457 -1.166 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 9.074 1.049 -3.097 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 -4.610 3.212 8.621 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 6.149 -0.077 -2.084 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 6.176 -0.153 0.181 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 1.602 0.570 -8.494 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 -3.903 -0.950 0.190 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 27.505 2.257 14.567 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 10.661 8.229 3.914 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 -0.875 -12.058 -1.425 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 0.553 -6.844 25.733 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 -11.481 9.564 -10.652 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 0.287 -0.150 2.282 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 -9.155 -12.117 -8.968 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 29.294 -17.209 -18.177 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 -2.120 -3.609 -1.025 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 -2.359 2.600 -7.166 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 -6.507 2.969 -18.868 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 3.081 4.543 -0.615 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 -7.954 2.271 -1.461 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 7.524 0.117 -11.849 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 -0.912 -4.185 -1.920 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 -0.810 -5.196 -0.455 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 -2.768 -18.080 6.123 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 0.573 2.534 3.342 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 -1.910 32.046 1.459 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 -3.028 37.949 1.311 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 -1.016 1.901 2.145 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 -2.953 -5.013 -3.842 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 -5.119 9.644 7.432 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 -2.783 2.368 -3.773 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 19.176 -16.240 -28.496 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 4.596 26.615 1.229 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 6.071 4.227 3.370 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 0.926 -8.252 -7.404 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 6.164 7.453 5.147 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 -5.002 -1.937 -3.264 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 7.228 -9.564 7.304 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 -17.645 -0.696 9.186 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 -5.669 6.972 3.272 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 -13.101 0.887 -11.889 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 -10.100 -0.051 -24.814 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 4.271 3.549 2.475 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 20.052 -28.162 -18.060 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 11.509 23.246 -12.891 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 2.560 3.793 -0.355 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 8.799 28.011 -3.957 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 6.466 -0.840 4.980 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 -1.146 -5.381 0.091 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 -6.492 -11.572 -0.388 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 -3.412 0.028 2.657 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 2.877 -1.187 2.566 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 -8.112 -1.747 -16.019 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 7.663 6.972 -3.947 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 -0.819 -0.708 -2.476 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 -18.931 -23.801 -2.467 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 20.611 26.865 -4.527 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 -3.618 0.536 0.348 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 -8.878 5.154 -2.021 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 7.550 -8.180 4.581 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 -3.897 -2.596 2.318 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 -6.943 -3.486 19.758 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 1.750 8.689 -11.100 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 -0.593 -1.766 -3.954 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 -16.108 0.603 -11.074 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 0.201 1.401 6.976 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 3.091 -2.450 -2.052 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 10.892 4.105 -3.701 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 19.008 1.577 13.013 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 -0.248 1.864 2.488 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 -5.478 0.276 19.508 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 1.307 7.050 7.566 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 -3.076 2.345 0.318 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 9.009 -8.862 8.910 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 -18.267 10.760 -11.648 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 -5.022 -2.566 -2.629 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 -9.548 8.834 19.872 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 -2.059 22.088 21.533 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 2.575 3.061 -1.039 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 -4.136 10.666 7.161 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 5.610 2.446 15.810 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 -0.380 4.780 -3.320 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 1.194 5.143 6.747 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 3.636 3.334 1.622 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 10.248 -1.276 0.583 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 16.181 16.690 -1.784 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 15.837 20.134 2.609 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 -4.295 -5.703 -1.040 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 7.164 -5.579 3.037 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 -17.053 5.944 1.657 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 -1.357 2.238 0.706 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 -17.275 -8.633 -9.821 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 -0.109 11.002 4.988 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 -3.327 0.243 -3.369 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 10.627 11.618 14.355 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 7.140 6.685 3.872 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 5.502 -2.137 0.609 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 0.253 4.934 9.305 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 -2.115 -0.729 11.145 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 2.335 0.801 1.826 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 -4.939 6.296 0.003 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 6.654 -5.167 6.752 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 6.456 2.747 -4.880 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 17.026 10.293 -0.365 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 7.278 3.017 4.009 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 -1.401 -2.867 3.343 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 -12.061 2.163 -1.367 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 1.362 -3.756 -4.377 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 -6.393 1.965 1.515 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 -12.497 0.271 -6.413 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 -14.287 -7.069 5.634 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 4.813 -0.216 -7.562 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 12.525 4.216 8.677 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 -15.989 2.615 -8.701 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 -9.588 -5.444 -1.321 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 -13.549 -3.551 0.095 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 5.524 -7.791 -10.440 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 2.664 -2.119 -1.236 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 -9.214 -24.422 3.672 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 -12.950 17.177 10.293 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 4.870 3.692 -0.306 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 6.412 -6.247 -6.434 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 -1.437 7.312 19.638 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 -5.819 -2.359 -0.048 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 -6.129 1.380 9.687 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 8.773 10.750 -19.551 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 -3.743 1.922 -2.917 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 -4.666 0.171 -10.891 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 -0.687 2.090 -10.880 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 0.837 -2.650 -0.433 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 -2.938 -5.306 -3.013 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 1.425 -8.136 1.297 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 -5.836 3.034 -1.060 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 11.885 7.052 13.433 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 24.133 3.030 0.208 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 -3.672 -4.474 -0.482 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 -0.774 -6.387 -15.818 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 0.566 10.490 -0.870 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 -0.922 8.108 5.664 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 -4.594 6.623 -18.090 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 3.065 11.625 9.066 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 -2.086 1.857 5.127 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 1.897 26.078 2.585 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 1.211 -9.137 3.373 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 -3.065 3.132 -0.475 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 11.136 -2.288 11.820 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 5.880 -0.321 10.357 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 -4.626 2.212 5.775 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 -5.947 0.719 5.633 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 -2.660 -2.337 -1.660 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 -1.115 0.935 -3.740 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 -21.181 23.306 -12.478 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 10.871 -2.680 -4.553 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 -1.130 -1.984 -3.936 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 5.323 -25.162 10.212 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 -10.574 -0.430 -3.224 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 0.292 1.245 -2.059 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 9.142 -8.796 -6.185 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 -15.160 10.649 -10.850 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 4.292 1.535 -3.391 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 3.361 0.507 -2.491 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 4.389 1.301 -2.356 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 4.377 1.486 0.941 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 -14.646 -0.532 6.155 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 5.591 -7.900 0.929 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 2.025 -3.467 0.252 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 -8.300 -0.285 4.271 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 3.637 -13.372 5.066 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 5.555 -5.729 1.047 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 7.436 -19.456 -0.233 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 12.550 5.725 -5.403 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 0.501 2.675 -8.592 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 -5.489 1.550 -1.429 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 -1.909 8.195 -16.441 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 -1.168 -2.588 -2.698 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 23.432 -16.857 -6.202 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 -3.942 -2.525 -2.161 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 -4.991 2.157 -1.509 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 -7.143 2.947 -9.144 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 -3.498 6.667 4.397 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 -1.790 -5.538 -0.119 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 12.517 -2.403 -1.906 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 -8.669 2.357 -11.051 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 0.831 2.874 -2.546 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 -4.789 -17.030 -19.714 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 24.048 9.264 -7.875 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 8.253 -2.666 -0.287 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 6.491 -9.568 7.166 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 12.248 5.369 -7.436 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 1.823 3.151 0.017 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 9.772 2.822 2.136 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 -1.761 0.385 0.846 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 0.346 0.108 2.371 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 0.768 -2.145 -2.064 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 -4.085 -11.315 -0.745 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 -9.352 -4.370 -5.036 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 -0.811 -4.491 -21.175 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 -32.218 -0.484 -14.831 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 -2.939 2.853 5.404 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 -4.212 5.853 10.588 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 -7.853 -5.670 -13.921 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 -6.095 1.332 -4.922 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 12.769 13.092 10.286 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 15.048 12.663 10.371 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 3.145 -1.906 9.201 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 10.723 -11.637 0.190 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 -5.770 -9.106 15.635 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 -2.784 -1.997 -2.167 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 -2.467 0.560 -8.193 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 7.986 -0.302 4.738 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 -2.630 1.669 -1.716 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 4.212 7.229 2.108 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 -1.342 2.475 0.951 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 -0.599 6.554 3.489 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 13.100 -0.491 -4.476 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 11.399 -3.659 -33.744 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 -1.224 -2.063 0.387 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 -7.782 10.365 -8.696 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 29.449 -1.400 -1.361 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 -2.079 1.456 0.601 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 9.472 -30.320 -5.667 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 -10.902 0.360 26.179 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 -1.485 -10.478 -7.344 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 0.718 -13.787 -1.710 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 7.399 -18.750 -4.293 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 2.365 -3.849 5.650 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 6.221 -10.846 15.540 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 1.430 12.420 2.502 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 -0.391 -0.967 2.873 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 17.321 -11.997 13.498 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 2.580 28.489 0.822 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 1.232 6.589 -2.758 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 -29.469 -3.353 2.327 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 22.413 10.463 -2.690 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 7.683 3.932 1.608 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 -6.773 6.728 -11.876 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 7.346 14.681 -2.092 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 0.106 0.658 -2.108 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 -18.900 -1.100 -6.546 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 10.147 8.722 -9.378 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 0.937 1.063 0.171 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 -12.384 4.601 -19.890 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 -32.920 -3.943 -23.993 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 -0.718 1.667 0.424 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 3.828 2.834 -1.187 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 0.174 6.194 4.479 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 1.953 -1.907 4.363 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 -2.109 -3.766 4.066 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 10.989 -0.207 2.195 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 -3.813 -0.284 1.025 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 -8.645 8.600 0.316 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 -14.775 -15.716 24.045 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 -5.399 3.668 0.896 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 -3.366 -0.588 7.343 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 -9.395 16.472 0.684 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 4.044 -0.890 5.655 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 12.883 15.301 5.280 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 -13.808 -30.970 3.207 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 1.599 -2.968 -2.727 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 20.202 16.730 -12.732 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 14.128 -2.802 11.191 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 -3.973 7.873 0.038 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 1.843 39.932 -6.238 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 12.085 8.823 5.539 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 -2.245 -3.561 -1.794 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 -11.776 6.767 13.134 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 3.836 -6.043 10.027 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 5.182 -2.380 -5.584 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 13.589 -3.089 -0.146 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 0.446 -9.053 -2.452 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 -0.285 -5.901 -10.413 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 -6.685 -15.266 17.069 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 -5.550 -10.346 5.645 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 -5.330 -0.638 0.856 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 -10.377 -2.970 -16.585 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 4.903 -4.782 3.162 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 1.854 -2.502 2.706 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 0.071 2.223 3.796 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 9.456 -1.149 4.112 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 -1.406 5.026 5.223 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 -11.323 0.654 4.048 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 -14.957 4.205 2.209 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 -2.128 0.427 -4.673 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 -6.562 5.496 2.523 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 0.438 20.954 -11.185 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 2.823 1.178 1.320 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 1.232 -14.562 -1.780 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 -0.328 10.156 2.098 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 0.277 -0.536 2.145 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 -0.305 1.663 -0.020 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 -10.881 1.859 2.117 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 3.297 -2.770 -0.404 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 -11.206 -5.216 11.557 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 26.707 -13.463 -8.887 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 -4.242 3.662 -2.333 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 -10.364 -1.336 44.008 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 -37.259 5.660 28.529 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 -2.926 -1.770 3.774 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 4.874 -16.020 -19.408 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 4.479 -13.492 -16.736 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 2.042 1.733 -2.611 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 4.561 -14.313 -28.388 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 -2.834 -0.182 0.225 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 -1.296 -4.867 1.713 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 2.125 -0.310 8.039 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 -9.519 -8.911 0.841 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 5.584 4.952 -0.774 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 -0.025 -1.380 -1.052 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 4.171 7.281 1.261 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 -2.410 3.910 4.038 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 -3.750 4.677 1.495 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 -2.969 -2.315 12.380 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 1.003 1.704 2.363 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 -7.292 5.502 -1.052 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 11.370 -7.534 -3.268 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 5.347 5.114 -8.987 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 12.329 10.630 18.249 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 24.466 -38.185 -16.386 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 -5.371 10.347 0.763 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 6.269 25.600 -10.630 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 6.440 18.857 -10.356 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 -1.229 -1.474 -0.525 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 3.955 5.470 2.616 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 3.002 4.991 2.364 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 -0.970 0.986 1.030 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 3.804 -1.203 1.417 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 -2.251 -8.787 -6.265 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 -1.547 -1.754 -0.198 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 14.572 3.519 -21.995 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 -7.613 41.214 6.949 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 -0.994 4.237 -2.780 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 -2.775 11.888 4.663 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 -2.578 -7.326 1.603 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 -1.411 5.673 -2.837 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 0.695 -5.226 -0.489 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 -3.354 -21.618 11.421 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 -0.390 -2.773 4.299 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 1.776 -20.060 34.872 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 13.833 -18.296 -6.004 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 -3.982 0.637 1.226 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 -9.678 -14.464 9.044 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 -5.887 1.645 4.802 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 5.835 -0.718 2.809 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 15.801 -13.481 -1.096 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 -12.883 10.819 9.873 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 -4.661 -4.218 -1.101 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 9.192 -19.030 23.604 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 8.642 12.447 8.949 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 -2.188 1.507 1.630 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 13.675 -12.392 16.667 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 11.296 14.149 -2.961 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 0.411 5.811 1.296 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 1.413 6.129 -5.763 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 -5.341 5.548 11.833 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 4.081 -2.351 0.196 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 -0.552 -13.232 0.562 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 11.323 27.644 -3.427 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 -0.747 -1.571 2.542 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 -1.304 -28.394 -8.657 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 4.821 -1.220 -21.644 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 -0.793 -0.991 0.883 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 -0.689 -1.386 -5.481 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 -1.510 -1.272 3.189 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 0.517 -0.593 -1.251 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 5.152 -0.819 -5.098 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 6.464 -25.315 7.802 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 0.758 -4.200 5.649 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 0.998 -14.927 7.129 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 9.204 0.549 -7.265 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 3.244 2.156 -0.881 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 0.435 3.739 1.430 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 -20.538 23.246 -0.870 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 -3.721 -1.066 4.432 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 -2.877 -20.901 10.248 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 8.370 -15.535 8.436 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 -0.792 0.060 1.132 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 -3.741 -1.974 12.495 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 4.044 13.834 -3.630 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 0.232 4.652 4.746 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 -4.756 -6.139 4.442 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 -2.583 -6.782 12.405 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 1.128 2.976 10.660 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 5.644 2.926 -6.142 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 8.975 13.641 26.636 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 -9.395 4.745 -3.751 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 -9.764 12.241 12.264 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 -10.499 8.413 8.101 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 -2.769 -6.035 -1.583 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 3.514 6.611 -7.805 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 7.870 19.567 16.879 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 2.187 -5.261 0.427 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 -12.070 -7.327 1.515 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 -7.368 -6.724 2.202 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 -6.020 -0.639 -3.293 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 10.767 29.244 -10.130 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 -9.328 -14.390 -31.025 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 2.484 4.603 -2.765 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 -10.716 9.565 -18.680 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 -21.121 1.903 -16.394 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 5.769 -6.960 3.188 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 -6.048 14.130 7.279 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 -4.880 10.403 7.531 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 5.323 5.635 2.459 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 14.366 -9.232 -2.980 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 1.133 13.101 -2.193 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 -2.144 -1.667 -0.868 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 -12.090 14.382 -26.984 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 -7.029 2.538 17.234 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 4.145 -1.372 1.203 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 -21.516 -5.461 0.636 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 -10.325 -4.047 1.478 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 -1.589 -1.397 1.556 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 1.153 -13.098 -4.651 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 -5.233 16.733 -2.799 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 2.835 -2.088 5.067 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 -11.429 8.188 10.677 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 4.845 3.979 14.986 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 -1.758 -3.565 -0.755 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 3.205 1.532 -20.179 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 16.763 14.311 12.449 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 -3.097 1.615 -3.821 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 8.109 10.342 1.516 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 1.656 -6.327 -7.562 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 -2.520 1.625 0.866 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 4.074 -8.602 -3.414 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 5.941 -12.786 -0.947 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 -1.635 -0.225 4.897 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 -15.911 -0.156 -0.530 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 5.143 9.243 -19.112 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 -2.630 6.992 6.186 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 3.006 15.907 -1.329 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 3.715 2.299 0.503 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 -3.698 -3.839 3.601 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 -12.965 7.182 3.006 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 2.695 -2.108 7.359 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 2.866 1.186 -3.584 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 4.284 0.831 -2.462 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 3.546 4.032 7.611 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 0.206 4.053 2.990 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 10.207 16.072 5.021 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 10.253 -9.112 -1.699 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 0.889 -0.481 5.159 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 -11.033 -18.761 -3.211 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 -9.936 -16.950 -0.106 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 -2.752 -3.015 1.142 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 -11.090 -13.128 -12.304 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 -5.017 -8.758 0.395 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 2.660 10.135 1.621 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 3.924 20.303 -8.946 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 -2.844 0.755 -4.469 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 1.650 -3.772 -0.947 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 3.637 -8.829 6.359 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 2.286 3.949 -12.410 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 1.034 -4.022 3.429 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 -7.414 -10.493 -1.708 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 7.685 -8.352 11.601 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 -6.921 1.302 6.573 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 -14.778 0.144 7.200 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 -6.961 -8.565 5.078 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 2.787 2.449 0.634 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 9.440 10.579 -17.006 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 -29.512 14.258 3.693 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 2.157 -4.913 13.215 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 -8.106 -14.119 -3.440 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 1.673 -7.690 18.377 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 -5.715 -4.221 0.441 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 2.488 -8.279 2.658 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 -8.984 2.677 1.637 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 8.942 -6.498 -3.084 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 -8.187 9.199 -6.701 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 7.522 -16.290 -24.030 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 3.033 -7.087 -7.846 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 4.108 -21.485 -4.823 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 17.008 -0.355 -8.573 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 4.131 7.631 6.440 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 7.309 11.573 5.232 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 13.295 -14.461 3.093 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 3.298 0.480 6.769 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 -9.048 -11.128 8.342 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 -7.308 -9.719 7.997 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 4.355 3.341 0.251 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 3.752 5.354 1.013 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 1.262 -9.485 4.237 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 -1.426 -5.260 8.625 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 6.895 7.105 3.348 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 -19.518 20.389 9.661 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 1.756 -6.582 -0.363 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 -17.894 5.879 -7.295 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 12.560 -13.385 3.785 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 4.783 -0.016 2.709 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 -1.419 4.738 12.000 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 -1.797 2.809 -6.882 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 2.163 -3.233 -7.626 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 11.686 -27.029 11.402 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 10.618 13.048 22.464 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 5.270 -5.704 1.559 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 8.568 -6.364 -5.082 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 1.619 2.070 -2.325 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 -6.030 3.863 6.076 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 -2.360 0.894 7.314 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 7.261 -5.116 2.677 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 -0.880 1.789 1.291 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 24.128 -6.354 -15.519 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 -11.417 34.900 4.641 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 -0.249 3.395 5.241 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 9.504 6.275 4.556 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 -6.259 -5.978 16.584 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 2.428 4.554 -3.411 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 15.768 -16.224 -15.771 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 -9.202 18.674 -24.236 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 5.760 -2.716 -0.524 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 -4.259 7.354 11.976 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 8.093 -1.017 -11.193 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 -4.088 7.468 0.018 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 -6.849 -0.076 1.061 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 -1.888 0.808 12.227 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 3.182 8.756 -2.553 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 -3.269 18.601 -7.402 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 33.722 -8.711 -13.715 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 1.806 -1.718 3.169 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 -12.280 -0.679 -9.831 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 -7.182 -0.688 22.187 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 -1.211 -0.467 0.341 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 6.178 3.876 -10.479 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 -1.972 11.052 8.742 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 -7.253 -3.082 0.277 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 -5.707 -13.894 1.917 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 -16.660 6.902 1.402 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 1.288 1.343 0.419 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 7.043 -5.062 -5.833 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 -36.398 8.435 -1.528 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 -3.167 -2.097 1.143 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 3.251 -3.395 -8.752 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 -1.801 -7.072 -4.806 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 3.687 3.729 5.010 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 4.753 4.448 1.292 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 1.225 -2.915 5.339 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 -0.267 1.295 2.803 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 3.221 0.488 3.886 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 -19.804 -0.310 -25.320 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 -1.039 4.805 -2.584 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 -0.457 5.424 -3.680 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 -2.438 12.447 -7.330 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 -1.121 -1.005 -0.402 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 -6.639 15.969 13.352 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 0.278 19.210 20.968 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 -6.311 5.265 -2.021 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 19.044 1.100 -8.635 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 12.453 6.017 11.008 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 2.387 2.300 -2.677 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 -23.154 16.583 -1.774 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 -22.822 -35.373 6.453 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 0.801 -0.845 -0.830 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 -6.104 -30.997 -1.019 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 3.622 13.810 -4.365 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 2.648 3.501 3.553 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 8.578 -16.224 -25.845 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 10.707 5.302 -8.746 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 3.744 -4.116 -2.475 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 18.178 -15.459 -12.636 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 5.180 19.495 38.779 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 -0.781 4.504 0.981 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 -3.115 -1.396 -8.352 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 -24.388 1.362 -14.612 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 -10.589 4.715 3.448 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 19.836 -30.268 -9.656 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 12.565 30.140 10.197 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 -3.496 -2.636 -1.106 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 -27.243 -6.743 -16.330 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 21.207 17.560 -20.445 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 3.880 3.837 0.187 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 9.741 -5.626 -4.738 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 11.561 8.482 8.288 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 -2.711 2.741 4.765 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 -3.817 5.667 18.736 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 -4.604 -1.310 9.126 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 1.001 -2.808 1.689 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 8.643 15.255 -13.170 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 -22.835 -6.660 -4.620 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 -5.158 1.850 6.585 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 -10.042 1.051 3.445 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 -5.058 5.574 12.277 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 4.684 -1.793 11.940 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 -1.651 -11.578 15.838 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 2.509 -0.516 0.594 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 1.512 0.257 5.497 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 1.634 0.713 8.025 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 -21.881 -13.254 11.567 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 -0.753 5.096 1.042 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 -0.365 17.764 15.954 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 -2.476 -10.142 4.389 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 -1.708 -4.302 -2.051 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 -2.312 -6.625 -0.884 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 1.727 1.467 -4.316 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 -0.980 -0.022 1.145 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 -25.752 -7.054 31.698 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 -11.825 -15.261 -9.136 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 -2.475 -2.998 -3.346 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 -13.426 4.659 5.766 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 14.060 -0.839 25.909 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 0.423 -0.853 -0.968 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 4.424 -11.756 -2.340 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 11.812 6.051 7.509 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 -4.053 -3.638 -2.746 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 -4.736 3.351 7.500 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 -1.836 -10.315 -4.453 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 -1.325 3.394 0.115 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 -6.386 3.214 -2.086 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 5.364 -4.448 13.361 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 2.248 -3.781 2.737 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 1.079 -18.830 22.769 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 21.970 -16.258 -14.338 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 -0.209 -3.360 -6.706 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 -6.872 6.231 1.565 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 5.722 3.867 -4.630 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 -0.875 -0.922 4.860 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 -4.982 -3.375 0.280 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 -1.210 -3.839 14.657 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 1.700 7.962 -6.431 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 10.465 5.339 -5.116 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 -4.250 9.566 -7.431 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 -2.622 1.480 1.043 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 -7.870 8.313 0.481 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 7.013 -2.052 -6.937 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 4.502 -0.320 -1.718 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 23.187 20.185 -2.234 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 -7.611 -12.957 -0.147 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 8.275 -0.796 4.059 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 4.694 -8.549 9.792 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 2.072 -5.489 4.549 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 -1.022 -1.786 5.673 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 -7.764 -15.161 -4.393 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 6.157 8.686 15.020 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 0.003 -1.219 -4.236 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 23.202 19.301 -14.110 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 6.255 -3.944 -3.333 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 -5.282 -6.314 1.670 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 -14.379 -12.053 1.680 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 1.317 -13.388 -16.092 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 -1.698 2.995 5.790 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 -3.455 -0.304 2.879 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 7.075 -1.387 5.013 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 0.877 9.196 0.540 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 2.692 -1.863 -10.794 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 15.955 -12.043 -4.839 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 3.127 1.839 -3.889 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 3.018 4.063 15.389 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 9.858 -18.073 -2.763 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 -5.192 2.114 -7.100 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 -3.608 -16.218 11.891 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 -14.805 15.929 -2.339 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 1.560 -7.509 1.167 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 -6.129 -1.642 -13.398 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 14.303 -19.031 -5.444 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 -2.849 3.658 -6.842 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 6.574 6.713 1.230 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 -11.233 -1.965 0.024 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 -2.942 2.986 2.022 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 -7.255 -2.915 -7.397 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 2.525 -5.826 10.172 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 5.317 -6.111 -2.497 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 -8.024 -7.933 6.637 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 6.263 -13.310 -8.967 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 -3.087 -4.207 -1.538 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 -2.759 -15.254 8.430 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 8.106 -15.880 -11.532 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 4.355 -1.101 -1.509 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 6.122 -8.828 2.630 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 -7.550 5.273 -1.911 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 -8.673 7.008 3.047 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 -13.727 9.297 -2.051 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 9.687 -6.654 14.284 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 0.836 -1.109 -2.253 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 11.154 -8.863 -2.610 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 -11.894 8.319 -6.086 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 2.979 -4.076 -3.563 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 -7.290 7.741 -2.438 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 -1.351 -9.447 -4.357 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 -4.022 -0.704 -0.333 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 2.990 3.512 -6.479 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 24.785 -12.319 -3.027 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 -2.018 5.750 0.338 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 19.782 9.848 -4.098 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 -6.453 13.449 -8.465 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 0.014 3.720 -2.551 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 3.254 6.463 5.133 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 8.691 1.838 -5.752 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 -1.565 -2.830 2.237 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 14.575 2.750 6.113 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 26.503 -2.690 16.419 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 -1.734 2.398 -0.433 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 0.997 -9.286 -2.326 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 26.809 17.997 -8.435 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 -3.141 -1.307 2.877 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 1.085 -16.094 -11.243 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 3.720 15.299 -6.938 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 -3.088 -3.222 -8.093 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 -6.408 1.420 -3.712 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 5.052 -16.021 -10.469 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 -0.516 3.412 -1.919 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 0.436 8.401 -13.657 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 -3.856 -8.379 17.918 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 2.208 2.046 5.382 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 -1.081 -5.097 8.806 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 -1.304 4.314 -5.271 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 -0.785 6.732 2.895 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 0.111 -5.327 15.091 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 -7.007 1.172 -0.145 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 -2.599 -1.194 3.572 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 0.080 10.561 23.253 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 -10.015 20.931 4.415 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 -4.498 0.535 -2.067 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 -0.526 5.581 4.925 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 7.871 16.046 11.086 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 4.943 -0.540 -1.833 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 17.338 -23.023 21.867 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 -0.474 3.609 5.623 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 -0.314 1.119 -6.475 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 -4.484 -4.556 -1.159 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 -2.067 0.449 -5.319 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 2.312 1.780 4.708 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 13.129 2.470 5.464 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 3.667 4.355 5.389 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 4.445 -2.266 -0.069 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 -3.728 2.915 12.336 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 0.557 12.888 19.620 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 -1.777 4.298 -2.563 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 4.423 3.094 -11.868 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 -6.272 2.784 0.915 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 2.062 -6.296 0.099 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 15.419 -5.686 1.622 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 17.821 -4.694 -2.046 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 4.249 4.122 3.723 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 25.134 4.837 21.647 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 17.488 7.941 15.173 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 0.691 1.801 -1.772 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 16.484 6.140 -15.657 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 17.885 -8.903 -2.672 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 -8.084 -7.272 -1.182 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 5.015 14.783 6.189 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 1.051 1.153 -17.565 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 -1.428 -7.772 1.542 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 0.410 18.080 -2.886 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 4.984 -21.618 -3.081 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 4.103 3.774 -1.536 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 6.136 3.074 19.873 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 5.831 5.035 -8.509 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 7.280 0.119 -3.732 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 27.701 -12.554 1.408 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 -9.398 -7.154 12.068 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 -4.554 -1.487 -1.200 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 7.183 0.099 4.026 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 -3.617 3.533 -10.794 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 7.669 -7.621 2.875 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 17.606 -7.332 14.579 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 8.152 0.402 11.045 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 7.655 3.641 6.367 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 0.603 4.118 6.428 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 -19.178 7.837 6.131 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 -2.862 -4.571 -9.498 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 17.793 2.175 -8.007 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 -21.863 1.880 10.122 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 0.055 -1.758 0.513 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 10.101 4.138 10.118 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 10.781 13.678 16.032 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 -0.805 3.086 -0.027 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 -6.061 -5.710 6.371 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 3.900 13.117 -5.839 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 -0.321 -4.400 -2.377 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 6.910 11.728 16.768 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 -20.950 2.199 3.180 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 0.331 -1.390 1.368 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 2.372 -5.529 0.003 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 2.637 -7.248 -0.447 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 -2.642 0.535 0.129 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 8.925 -4.720 5.911 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 5.495 -4.824 6.544 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 -4.114 -7.186 -1.696 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 6.825 -25.309 -3.945 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 -1.007 -13.243 -6.219 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 -5.473 2.326 -4.819 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 1.725 5.251 -4.086 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 -11.615 5.227 -4.159 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 -3.268 -1.214 -3.014 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 -3.165 -7.262 -4.581 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 -5.061 3.884 -2.903 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 -1.427 4.788 2.309 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 -8.760 18.785 9.149 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 -0.162 2.054 1.279 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 3.879 2.552 -1.152 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 -0.309 4.193 4.700 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 -10.872 -11.052 3.200 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 5.089 4.145 0.833 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 -0.347 -5.177 -0.749 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 5.407 5.027 -1.221 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 -1.669 -4.510 -3.672 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 -16.153 -1.186 -2.621 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 22.220 -25.933 -30.756 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 -2.612 3.882 5.552 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 7.783 -12.651 17.404 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 3.276 4.917 9.541 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 -1.581 -6.111 0.269 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 8.633 1.293 -10.464 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 11.500 -7.607 9.870 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 -0.711 -0.436 0.644 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 -3.278 5.320 10.111 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 6.991 -7.469 -14.432 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 -3.382 4.062 -2.788 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 -4.196 7.204 1.717 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 1.806 -8.604 -5.710 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 9.028 -2.031 2.935 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 -4.615 1.149 -7.544 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 3.782 -20.897 14.781 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 2.007 -7.440 0.164 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 17.156 -12.797 0.991 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 -7.357 -23.050 -6.129 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 -4.553 0.214 3.511 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 -1.595 -5.173 2.662 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 -8.840 17.950 3.894 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 -1.945 -2.204 1.655 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 1.829 8.888 -0.104 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 -6.797 5.210 13.845 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 -8.308 -8.344 -3.779 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 -10.818 -2.181 -8.121 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 12.812 -15.609 7.167 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 0.332 -3.441 -2.653 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 12.281 6.591 -1.720 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 -11.810 1.342 8.155 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 0.770 -2.287 1.170 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 8.161 -10.354 4.511 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 6.528 0.778 8.974 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 -0.408 2.536 -3.466 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 10.134 3.891 -29.388 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 -6.490 -1.740 -6.817 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 1.136 2.351 3.973 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 -20.950 26.327 -10.477 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 23.433 -24.556 -9.196 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 -8.245 0.686 -7.895 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 -13.548 -1.006 0.550 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 -14.328 -13.484 -0.772 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 1.195 4.977 -6.971 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 1.833 -0.274 -5.660 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 6.752 -25.545 2.542 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 4.429 0.623 4.910 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 16.469 21.859 -1.078 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 19.948 1.296 28.891 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 -0.705 -0.404 -1.903 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 -7.032 -4.602 30.264 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 -1.309 -0.668 0.469 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 -9.586 0.515 0.577 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 -19.693 16.744 0.262 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 8.154 0.235 -11.325 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 1.337 3.955 1.476 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 6.418 6.936 5.283 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 16.449 27.144 3.534 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 -3.941 4.539 2.851 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 -1.998 5.405 -0.547 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 -0.632 6.032 -2.940 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 1.420 2.384 -0.774 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 1.100 0.356 -0.007 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 0.342 6.794 -0.737 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 3.245 -4.102 2.273 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 3.830 -2.550 3.242 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 -6.091 -0.683 7.767 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 1.592 -2.738 1.394 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 -5.937 -18.011 1.758 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 6.057 -1.004 2.214 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 2.800 -0.167 -2.459 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 -18.897 -23.798 -3.221 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 -0.165 12.890 -8.928 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 4.099 3.820 -0.664 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 -26.308 11.629 -8.640 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 8.459 -1.999 -3.363 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 0.206 -0.098 3.106 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 -13.328 -8.205 -5.517 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 -24.432 -14.621 -12.745 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 7.891 3.275 3.155 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 7.055 -3.812 25.403 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 -18.177 3.299 7.080 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 -1.662 0.571 10.830 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 -1.540 -28.565 -19.767 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 -8.259 -17.885 -8.956 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 3.402 2.816 -5.991 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 7.990 2.105 9.948 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 -8.577 4.458 -24.934 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 -2.848 -1.630 -0.473 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 11.504 -5.147 -0.007 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 9.578 5.910 8.733 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 -2.062 -3.789 0.054 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 -8.061 6.408 -12.647 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 3.608 -2.617 9.859 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 0.772 -0.072 0.309 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 -3.824 0.835 10.069 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 7.662 -13.509 16.343 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 -2.844 -1.224 -1.736 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 -8.997 -1.037 13.600 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 -1.017 -16.980 9.805 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 -0.041 3.399 0.001 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 -6.988 3.320 -5.890 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 0.246 1.850 -20.930 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 4.606 -4.383 -4.712 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 9.479 -6.560 6.733 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 -3.365 -20.726 13.920 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 1.451 0.024 -3.418 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 7.762 7.124 1.702 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 -0.855 16.949 -7.309 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 -1.456 3.599 3.030 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 0.736 0.536 1.595 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 4.161 0.419 -21.876 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 1.127 -8.084 8.733 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 -5.044 5.272 2.185 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 -0.700 -1.696 5.690 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 -1.583 5.155 3.509 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 5.057 1.018 13.189 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 13.504 -0.486 6.771 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 3.071 7.624 -7.535 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 9.736 3.939 -17.316 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 -7.824 -6.035 -7.950 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 -5.271 0.472 -6.167 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 26.365 -26.853 -15.039 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 -9.043 14.591 -9.228 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 3.166 4.171 0.504 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 -18.057 -22.892 -27.127 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 0.426 -6.664 -39.176 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 -5.283 -4.761 -3.778 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 -11.264 -4.295 17.117 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 11.044 0.075 -27.682 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 5.657 -0.457 -2.287 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 7.952 14.877 2.146 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 9.398 0.117 -5.591 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 -9.802 -5.796 -0.942 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 9.999 -4.913 -0.261 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 0.920 -5.600 -3.896 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 3.353 -0.720 -0.592 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 -7.709 -22.346 25.576 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 -20.614 -2.732 8.721 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 0.608 -0.251 2.358 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 3.064 -4.920 5.506 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 -6.648 -2.001 -5.837 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 3.105 -6.438 7.018 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 6.618 -12.542 7.459 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 9.359 -17.687 -4.998 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 -5.260 -2.122 -3.791 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 0.021 3.034 5.932 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 13.438 3.845 -12.355 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 2.491 -2.235 -3.209 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 -15.367 -3.858 -6.493 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 -18.019 -11.406 -12.839 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 7.739 -7.383 -2.126 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 1.516 -4.190 4.343 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 16.888 -2.024 -6.895 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 -0.527 -1.604 -4.223 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 2.187 -6.736 -4.456 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 0.525 -6.326 5.105 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 2.123 3.248 -2.229 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 -4.040 -26.630 -4.882 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 4.041 12.713 -0.034 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 1.259 -0.827 -2.015 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 -10.052 -9.690 7.020 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 -6.780 -5.389 0.014 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 0.887 1.022 -6.158 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 -4.760 -25.321 -4.037 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 -20.595 9.603 1.805 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 -1.399 -6.235 3.897 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 -23.957 -5.548 -1.760 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 -8.061 -3.906 -4.677 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 1.741 2.638 -2.923 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 -0.751 1.557 -11.260 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 10.623 -9.318 12.656 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 2.907 0.390 1.928 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 5.606 1.521 1.251 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 9.243 5.701 -3.312 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 -4.145 3.230 1.727 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 6.090 -5.810 -14.301 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 -4.547 7.513 2.955 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 -6.139 0.777 2.934 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 -0.221 1.271 -7.567 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 -1.085 28.684 6.008 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 -2.227 7.450 -2.072 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 6.339 6.900 -2.560 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 -6.462 -12.415 -2.643 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 -2.194 -8.085 -3.116 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 35.574 -1.871 5.719 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 5.510 -17.160 -10.191 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 -6.953 0.678 0.520 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 20.296 12.311 -3.681 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 2.020 10.083 4.318 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 -2.180 0.990 7.112 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 11.943 -4.455 10.630 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 1.214 0.265 0.031 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 0.743 -2.176 -0.163 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 -3.110 -8.859 -0.881 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 -8.675 4.226 -5.015 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 3.757 0.149 -8.123 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 7.688 3.043 -11.730 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 3.555 -2.036 -12.162 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 -0.369 -5.263 -3.501 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 7.675 -19.301 -10.512 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 -16.588 -9.969 11.846 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 2.407 -0.555 2.866 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 11.113 1.570 4.143 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 10.979 11.006 -2.862 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 -2.639 4.105 -7.049 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 -1.450 1.724 -6.794 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 -12.698 2.774 -11.166 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 -2.447 1.062 -8.781 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 -9.324 2.537 -7.179 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 -10.046 10.724 -10.990 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 0.346 0.910 -0.430 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 -28.324 6.065 -2.388 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 5.264 5.538 0.407 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 3.548 0.405 2.556 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 6.344 0.454 2.171 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 1.835 -1.919 1.626 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 -0.216 5.699 1.265 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 -0.923 2.633 2.285 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 -0.195 3.717 1.538 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 6.605 -1.691 -2.015 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 1.779 -2.544 -5.708 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 -11.032 -11.390 -7.190 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 2.394 7.354 -3.762 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 -0.765 2.292 2.758 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 5.128 -1.271 -5.640 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 1.206 -7.298 3.612 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 -3.660 -10.793 6.352 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 -0.372 -5.530 -27.515 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 -0.088 2.292 8.219 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 -4.207 7.618 7.928 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 -5.368 -12.744 -4.071 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 -5.221 -0.004 -1.329 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 -13.875 0.503 -3.772 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 -8.317 -3.067 -2.014 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 -4.791 4.125 -2.375 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 -30.361 7.834 -4.212 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 -11.042 15.968 -2.399 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 -1.253 0.158 -2.182 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 -6.144 5.284 30.386 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 -4.582 10.138 -14.124 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 6.407 -1.733 1.041 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 3.414 3.085 1.206 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 4.683 8.284 -0.183 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 2.765 2.678 5.954 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 8.162 22.905 -18.205 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 -13.171 17.637 3.854 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 5.400 6.598 -4.710 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 -1.104 15.364 -19.423 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 4.855 1.774 -5.543 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 -2.146 -3.892 -4.412 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 -14.219 5.200 7.801 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 11.534 -2.072 -1.953 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 2.553 -3.937 7.149 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 -13.137 0.539 4.479 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 -12.564 3.221 -5.390 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 -4.391 0.730 3.023 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 13.934 5.983 10.548 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 2.795 -4.108 -16.506 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 4.789 -5.856 -4.388 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 16.473 -3.130 -24.436 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 -9.938 -7.383 11.226 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 0.502 3.513 -3.710 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 -11.029 3.345 16.065 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 15.268 5.223 -17.508 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 -0.751 1.940 -1.849 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 -5.623 4.565 24.550 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 18.920 -3.309 13.549 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 -2.238 -0.256 -1.518 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 6.767 3.419 5.645 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 2.686 2.314 1.542 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 -0.133 -7.297 3.074 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 10.512 -10.285 -0.626 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 -5.483 1.738 1.690 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 3.209 3.285 -2.923 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 6.934 7.442 6.952 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 2.932 -33.725 35.131 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 2.541 -1.087 -2.805 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 -7.710 -9.295 10.842 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 22.507 2.661 -13.236 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 -2.747 -3.992 -2.864 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 5.515 -7.580 -9.816 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 3.469 -3.425 -0.376 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 1.582 -4.206 4.864 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 7.926 -16.155 7.194 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 -22.678 14.529 1.510 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 8.422 4.296 1.833 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 24.428 -9.235 -22.959 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 2.450 30.477 10.295 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 -4.289 0.626 1.755 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 -31.889 5.062 -15.732 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 8.765 -17.242 -17.685 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 -0.011 7.503 -3.115 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 -2.414 12.766 -5.837 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 -0.600 8.859 3.727 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 1.680 9.987 5.023 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 18.693 -6.439 1.726 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 10.132 -2.422 3.405 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 6.945 1.260 0.674 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 11.707 3.353 3.226 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 4.829 -1.911 4.912 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 -6.904 1.776 0.092 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 6.874 5.040 12.087 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 9.262 6.125 12.242 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 3.877 -2.068 -6.510 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 3.042 -4.921 11.831 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 4.880 16.244 -6.690 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 3.882 -1.256 -6.791 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 3.025 -15.390 9.266 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 -10.789 14.403 -3.719 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 0.746 4.907 -3.385 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 5.788 4.313 -19.937 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 -26.912 -30.627 -22.503 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 2.927 2.053 10.889 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 0.236 5.285 -12.142 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 6.714 -7.957 5.680 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 -2.163 7.351 -2.735 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 -0.984 -16.403 -8.493 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 2.783 -3.389 -3.317 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 0.226 6.062 -3.348 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 -0.893 9.617 -2.481 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 0.402 15.407 21.382 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 1.040 -3.930 -6.722 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 5.497 3.529 -23.986 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 4.358 2.430 -19.702 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 -1.393 -3.398 -5.124 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 4.639 -12.485 17.010 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 -0.749 -6.974 6.577 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 -0.270 -3.008 1.561 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 -12.476 -0.886 -18.927 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 15.428 -20.761 -1.824 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 -2.915 -0.372 0.462 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 -23.831 3.575 -9.529 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 0.743 2.436 0.241 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 -1.039 6.030 3.444 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 9.944 -0.245 -4.225 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 5.270 3.043 6.620 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 2.048 -4.174 -4.708 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 8.248 21.998 -17.365 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 1.964 1.651 23.916 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 0.411 1.268 3.644 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 30.959 -4.944 16.770 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 4.104 1.017 7.683 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 -1.921 1.172 4.502 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 -21.249 0.534 4.040 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 1.310 14.541 18.093 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 4.270 -0.196 -4.168 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 -6.882 -1.010 32.382 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 5.016 -1.197 -17.235 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 2.521 5.396 2.733 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 -4.949 2.650 -7.405 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 -16.325 -9.172 -16.593 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 -3.760 3.579 -2.232 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 -7.526 8.093 3.396 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 -14.026 -0.780 4.127 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 -2.404 -2.597 7.343 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 -0.632 0.371 6.358 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 4.705 6.108 2.560 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 -6.838 4.110 -4.330 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 -13.793 -13.384 14.697 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 -4.601 6.067 -12.714 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 -0.777 -2.167 1.072 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 -6.613 -3.854 1.795 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 0.980 -3.112 -4.383 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 2.624 0.773 4.713 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 9.776 -12.767 -13.264 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 -20.638 -13.174 -8.299 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 -1.943 7.043 6.157 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 2.954 6.171 6.327 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 -3.308 6.490 1.473 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 -2.420 0.206 2.098 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 14.584 -2.126 12.356 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 -15.375 3.231 -1.036 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 -9.149 0.746 -8.398 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 5.340 -26.250 -15.448 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 8.474 18.114 16.279 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 0.098 -5.342 -0.932 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 -2.745 -10.897 -1.727 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 5.019 -6.942 3.135 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 -0.659 -0.481 1.962 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 -12.910 6.947 14.128 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 1.999 17.419 -13.116 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 -8.900 5.992 -7.660 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 -1.132 7.688 1.742 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 -15.788 15.516 14.769 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 1.903 1.964 -0.307 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 -6.512 3.319 6.621 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 10.263 2.917 -4.199 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 0.573 2.074 -2.843 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 -2.454 -20.131 -0.028 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 7.834 -14.313 -2.198 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 -0.467 1.369 -4.176 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 2.114 -0.086 -4.858 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 -2.585 6.655 -7.181 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 0.379 3.756 1.608 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 2.879 14.337 7.626 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 -1.208 -2.758 -6.602 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 -0.616 -1.449 3.496 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 6.932 -8.740 9.740 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 3.185 -5.308 6.497 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 -1.376 -6.215 -0.226 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 -10.901 -14.263 -8.758 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 4.777 3.102 9.803 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 2.112 -2.892 0.951 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 2.827 -12.620 18.678 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 21.004 1.048 1.781 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 1.775 -4.626 1.285 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 10.636 -10.588 -12.395 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 17.154 -1.275 11.007 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 -1.709 -2.961 -4.846 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 -2.358 -11.123 -9.729 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 -5.834 10.097 -1.763 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 -2.425 3.089 -2.710 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 3.734 -13.597 -0.815 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 15.237 -6.019 -19.876 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 -6.942 -9.345 3.192 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 -35.119 -3.287 2.729 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 -18.687 -18.004 -1.516 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 2.382 2.430 -0.188 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 4.166 12.402 -7.875 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 -5.475 -14.590 5.526 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 6.369 1.770 -9.409 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 16.940 -3.191 -3.606 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 -4.199 9.936 -13.538 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 -4.671 -2.321 0.143 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 1.867 5.234 -1.161 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 0.676 -1.245 5.079 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 2.689 -6.656 2.211 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 3.630 8.832 -15.152 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 -1.236 -5.396 -16.154 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 0.395 0.289 0.615 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 -21.219 -11.253 -28.411 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 -12.695 10.802 1.027 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 -4.159 3.668 1.747 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 6.390 -8.093 -7.515 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 -11.457 -2.167 10.656 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 -3.500 6.432 1.110 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 -0.189 11.939 14.851 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 8.305 13.795 2.433 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 5.885 -2.596 -1.401 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 -23.731 18.622 -1.033 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 2.359 -5.476 9.481 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 1.538 -3.074 0.994 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 23.539 -10.210 14.966 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 3.009 -1.248 5.002 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 3.961 4.598 -7.937 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 -1.832 4.996 -3.695 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 2.272 -2.103 -3.821 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 6.822 5.237 -1.757 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 12.179 6.451 -10.650 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 4.405 4.370 -7.246 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 -2.932 -0.302 -3.044 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 -13.180 15.408 -1.058 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 -4.652 -6.488 13.989 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 -2.301 -3.067 1.014 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 8.779 -10.739 26.269 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 -38.930 28.340 9.588 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 -2.022 -4.234 -1.308 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 2.864 -1.354 -4.846 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 -19.319 -7.853 7.928 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 5.737 8.758 -0.333 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 -21.694 -6.149 16.295 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 23.587 -8.251 14.121 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 -6.054 -8.375 -5.851 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 -19.072 -22.112 -0.638 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 0.057 1.501 -6.127 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 -7.459 -0.133 3.356 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 -3.278 -13.670 -10.684 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 9.842 4.621 11.020 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 5.123 -3.118 2.587 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 18.806 -9.820 -0.217 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 -12.123 3.613 -1.675 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 -4.422 -3.271 -0.622 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 -12.744 -3.762 -13.121 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 10.078 -4.792 -4.998 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 -6.810 -4.796 3.211 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 -10.907 -1.682 5.024 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 -2.298 9.477 11.085 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 2.440 -0.662 4.071 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 -10.288 -6.555 19.279 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 -11.972 -2.114 -19.786 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 0.798 5.426 0.730 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 -8.010 11.840 7.392 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 12.827 1.431 12.882 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 1.033 -11.718 -4.403 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 -6.830 10.114 -6.942 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 -25.873 -9.309 24.782 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 -1.552 2.671 2.369 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 -4.123 13.637 -1.688 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 -1.722 -5.687 -3.792 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 2.745 -2.775 5.049 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 -4.520 -8.907 -3.291 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 5.289 -3.557 18.814 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 4.457 1.543 -3.861 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 -2.927 -8.532 -6.736 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 5.442 0.002 5.900 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 3.169 0.746 -6.987 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 3.977 11.048 -3.358 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 24.496 1.095 -8.597 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 0.872 10.165 4.256 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 -8.305 9.307 -14.481 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 2.148 2.844 9.041 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 -1.017 1.986 -3.381 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 18.230 -17.926 -1.280 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 14.404 28.241 -9.708 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 -0.632 -1.408 1.936 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 9.928 -9.549 -1.476 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 6.597 6.289 8.676 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 -11.171 -2.638 -1.467 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 -10.346 -17.957 -1.056 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 -3.218 3.981 -15.326 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 3.010 -0.386 5.831 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 10.024 28.183 -2.788 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 15.115 17.764 3.002 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 -2.089 2.532 -1.663 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 -3.291 -11.272 -7.696 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 -5.968 5.347 18.948 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 1.033 8.778 0.595 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 -18.206 0.330 0.701 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 5.103 10.809 0.502 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 0.387 -1.191 -5.358 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 5.392 -9.474 -9.472 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 -2.188 20.113 14.034 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 3.387 3.271 -4.837 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 -11.815 4.992 -7.177 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 -11.311 0.858 9.029 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 3.079 -2.501 -2.744 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 18.950 -19.367 -60.069 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 2.359 -1.033 1.546 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 0.431 2.720 -5.716 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 -19.234 -0.096 -6.902 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 -2.966 3.173 3.369 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 2.778 -3.130 -4.450 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 -1.274 34.374 9.766 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 32.044 -9.551 -12.620 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 9.677 -0.334 -4.491 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 13.525 9.795 6.462 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 -7.379 -2.911 8.830 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 -10.697 -3.405 -3.054 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 -10.255 2.618 1.049 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 -21.351 17.471 -11.591 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 0.412 2.034 -1.628 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 10.676 -0.898 5.677 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 -15.998 2.541 4.799 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 6.479 -2.656 4.766 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 8.075 4.871 -10.213 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 4.135 -1.951 16.628 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 0.857 1.401 -0.942 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 0.309 0.858 3.292 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 3.886 3.306 -2.019 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 4.427 0.371 -1.955 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 -1.045 39.862 12.959 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 13.546 18.534 21.551 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 3.512 2.562 -5.085 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 6.220 12.367 -9.748 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 23.857 -0.634 -14.483 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 6.462 1.851 1.077 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 13.922 1.947 20.606 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 25.207 0.361 37.278 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 4.556 -2.324 6.200 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 9.840 1.949 -3.005 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 5.680 4.959 14.072 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 0.663 0.893 -7.177 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 14.131 -3.434 -14.227 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 3.623 13.833 2.783 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 2.328 0.629 1.946 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 13.322 6.403 6.923 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 19.901 16.849 7.857 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 -4.216 -5.593 0.756 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 -11.167 2.667 8.664 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 3.548 2.290 -1.976 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 -0.660 3.199 -0.624 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 3.402 -2.714 -0.707 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 -8.687 -4.982 2.518 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 0.109 6.192 0.819 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 9.764 1.589 -0.892 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 -11.714 17.243 3.206 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 -0.284 -2.580 -3.534 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 -9.402 2.439 -7.128 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 -4.773 -4.268 -8.732 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 -1.184 -2.698 -0.129 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 5.733 -6.720 -9.725 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 12.846 -16.304 13.362 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 -1.559 0.579 -8.087 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 -17.573 11.382 -11.037 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 -1.968 16.169 2.478 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 2.770 0.251 4.427 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 -4.571 11.969 -1.680 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 0.602 -19.733 9.182 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 4.921 0.962 -1.884 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 -35.471 -31.904 3.824 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 -3.238 10.152 5.887 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 -1.805 -3.157 -4.019 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 5.410 1.366 14.978 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 -4.559 -3.727 -10.684 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 5.542 -1.884 -0.407 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 3.308 1.095 18.297 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 3.086 -2.646 8.924 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 -3.810 -3.319 1.878 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 1.147 10.623 22.928 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 -14.506 14.058 -14.314 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 3.147 -2.777 0.257 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 9.579 -7.426 7.646 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 5.978 2.671 16.452 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 -0.752 -3.742 5.001 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 30.429 23.413 -2.759 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 -8.950 -8.612 4.279 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 -0.909 -1.919 2.811 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 5.920 -2.052 3.578 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 5.150 -4.527 0.057 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 4.885 1.893 -2.893 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 -6.645 -8.209 -12.322 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 47.498 -2.221 -9.117 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 0.102 5.230 0.840 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 -18.883 21.773 -8.892 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 24.499 4.271 -10.836 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 -4.365 5.761 4.054 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 8.581 14.153 -4.702 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 -16.646 0.918 -18.420 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 5.110 -4.523 -0.308 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 6.282 -6.725 6.219 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 -1.665 -1.377 -0.448 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 4.947 -1.493 -0.528 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 -7.129 -5.586 8.998 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 1.406 15.043 -7.923 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 2.363 3.901 2.106 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 -2.854 -6.023 35.658 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 10.600 -2.795 -2.222 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 -5.310 -0.201 -4.117 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 -1.455 0.601 -4.613 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 -6.198 -5.692 -9.906 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 -4.002 -6.144 4.157 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 0.475 -4.668 10.264 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 1.882 -3.867 12.018 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 5.851 -1.033 4.578 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 5.133 6.989 12.001 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 11.792 6.388 -2.342 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 7.444 -2.693 1.518 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 21.075 -14.765 -8.682 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 -9.810 2.559 -11.769 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 5.181 -1.691 -0.690 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 19.416 0.757 12.131 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 8.278 9.775 -13.185 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 5.807 -9.898 -4.944 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 -1.205 -9.873 2.074 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 8.826 -4.036 -9.821 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 -4.788 -3.090 0.034 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 11.038 10.304 4.113 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 -11.249 -10.083 -7.535 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 -0.143 3.266 -1.054 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 -16.018 -0.418 -13.089 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 8.267 7.111 -19.882 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 0.145 -6.914 3.889 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 -0.241 -0.871 7.577 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 -7.393 -9.220 5.739 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 -2.922 -2.417 -0.149 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 -6.398 -7.076 -5.234 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 0.371 -15.089 7.902 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 5.910 -1.387 -0.009 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 7.480 1.581 -0.354 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 6.321 -3.514 -5.804 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 0.921 -2.561 -2.870 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 -16.566 4.784 4.899 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 -11.205 -8.028 -13.008 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 -7.919 -1.949 -4.496 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 8.618 -1.494 -5.625 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 -29.193 -10.239 4.646 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 0.295 6.199 -5.264 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 -9.557 8.373 17.198 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 -0.719 10.304 8.026 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 3.007 -3.718 6.451 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 0.883 -2.231 3.364 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 -8.853 0.553 -7.223 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 1.286 -3.045 -5.111 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 -7.201 -14.823 -3.201 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 5.958 1.220 -23.436 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 2.969 -0.571 2.770 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 -0.745 7.217 4.366 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 17.096 -14.147 -0.732 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 4.166 -3.328 -6.192 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 6.116 -22.032 -16.775 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 5.574 -2.169 -8.430 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 -1.344 -5.576 -3.947 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 1.214 16.887 -15.468 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 -1.372 -18.725 -4.324 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 -4.585 6.759 4.017 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 -10.289 19.677 0.649 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 -9.125 4.218 -11.092 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 -2.369 -0.252 -2.045 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 6.359 0.854 -5.185 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 -4.293 1.574 -0.288 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 2.827 -2.042 -1.338 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 -0.622 -16.844 -1.200 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 -7.610 -7.800 9.524 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 0.588 1.591 0.899 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 -2.164 -7.735 -1.018 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 4.094 0.063 11.208 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 -2.398 1.742 2.559 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 -9.889 -6.374 2.326 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 1.055 -14.120 -12.022 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 5.925 -1.338 -3.487 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 -18.839 11.065 -20.279 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 -4.620 7.711 17.679 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 -1.568 -2.266 -3.639 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 -13.296 17.240 3.308 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 11.762 2.306 -8.513 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 -0.624 -1.624 -1.227 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 1.832 -9.408 4.706 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 7.516 0.572 -7.466 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 -4.515 -0.354 -8.523 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 -5.474 9.719 -19.588 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 -15.632 -3.721 -2.511 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 -1.537 -4.939 0.249 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 1.888 3.079 -12.780 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 3.715 -0.057 11.103 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 -1.272 2.622 2.965 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 4.872 -18.992 8.396 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 -9.900 2.142 -1.519 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 -3.479 0.403 5.009 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 -8.516 8.832 12.614 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 -6.909 11.904 0.368 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 -6.256 -4.885 6.010 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 9.198 -21.300 -2.741 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 -24.388 16.978 30.698 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 -2.054 4.133 -3.441 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 -26.006 12.511 -2.228 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 5.739 16.815 10.562 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 -1.812 -8.715 -1.095 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 -2.520 -19.340 -1.329 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 -2.494 15.755 0.908 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 2.522 -2.529 0.461 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 2.762 2.603 -10.615 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 -4.892 -5.409 -17.986 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 3.898 1.377 4.154 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 -12.232 -2.528 9.193 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 -11.565 -4.515 1.720 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 8.692 2.056 2.187 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 -20.446 9.736 -17.030 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 6.553 -7.095 14.861 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 0.816 1.625 4.891 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 -4.871 -1.840 -16.255 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 -0.757 -1.604 14.560 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 5.053 2.597 1.591 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 8.032 13.112 4.922 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 -0.728 -13.566 -1.072 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 3.008 7.562 2.905 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 17.068 9.430 9.492 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 9.196 1.291 -9.948 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 2.161 -3.442 9.032 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 4.773 8.067 -3.589 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 -17.935 -0.929 -4.881 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 -0.401 -2.214 0.850 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 23.281 31.410 -24.690 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 8.364 1.643 20.140 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 2.300 2.605 -1.791 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 -8.819 -9.043 8.842 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 12.150 18.013 15.392 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 1.117 1.504 -1.490 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 8.280 -3.469 1.690 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 3.756 3.860 -8.598 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 3.116 6.749 -5.783 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 4.829 3.359 -9.781 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 10.187 2.733 -21.461 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 -3.917 -0.767 -0.452 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 13.437 -6.141 -5.202 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 -1.145 -3.402 3.216 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 4.020 0.940 1.582 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 -1.092 6.239 -5.968 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 -2.544 1.223 6.959 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 -2.458 0.209 -1.965 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 -2.059 -6.132 0.163 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 0.171 10.420 -6.483 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 -0.281 -5.006 -2.749 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 -7.538 -10.454 -3.087 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 -10.540 -8.602 -16.350 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 5.248 6.123 6.978 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 -6.479 -7.594 19.523 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 9.461 -2.456 -11.491 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 -9.205 0.098 0.768 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 -15.397 -32.214 33.130 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 -4.374 5.587 13.698 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 -5.068 0.579 6.602 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 0.389 2.163 -2.486 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 -20.648 4.875 12.322 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 -0.132 -4.169 2.966 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 -2.583 10.718 8.060 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 -6.265 29.271 20.581 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 -4.150 1.952 4.681 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 -6.540 8.968 9.504 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 -8.513 -1.432 -9.828 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 -2.407 0.990 0.694 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 -5.814 -30.771 8.620 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 12.879 -1.605 11.639 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 -0.527 1.595 -0.778 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 -12.772 5.146 -4.095 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 6.349 -22.991 -16.448 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 -7.333 1.706 -2.551 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 -8.562 8.590 -7.009 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 -2.860 5.689 -14.269 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 5.192 10.697 3.454 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 -1.919 12.231 -22.934 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 3.897 -16.430 8.198 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 -0.453 7.550 -1.742 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 11.324 14.136 11.068 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 5.442 13.921 -17.420 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 -5.855 -1.825 -2.834 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 12.518 -20.786 4.686 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 7.863 6.301 2.758 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 0.450 -4.602 -1.581 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 10.879 15.639 4.710 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 -0.089 -5.324 -9.676 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 -0.485 -7.171 -5.436 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 -11.590 -6.522 11.954 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 -4.498 -7.882 9.106 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 3.880 1.863 0.248 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 4.435 4.441 -7.298 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 4.008 8.305 -8.602 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 7.865 1.169 -2.400 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 -9.710 -14.803 2.443 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 -20.197 3.572 -11.993 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 -3.568 7.758 -3.635 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 0.068 6.467 4.107 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 -1.848 0.180 -11.521 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 -2.246 -10.627 2.517 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 -12.741 -15.538 -14.811 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 4.535 -11.625 -4.204 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 6.184 4.040 -3.535 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 4.064 -5.754 -0.172 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 -3.831 0.770 6.657 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 3.421 -2.093 -3.756 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 -0.418 -17.616 -1.213 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 4.539 -17.819 1.560 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 4.931 2.835 0.865 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 -20.158 -6.444 -9.985 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 -4.082 9.585 -1.964 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 -7.852 -7.779 4.860 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 -1.956 -11.644 2.990 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 3.522 -20.682 16.909 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 -2.834 2.676 2.591 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 -14.937 0.990 -11.797 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 -6.697 8.266 -0.297 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 2.262 2.298 -2.510 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 13.094 -10.874 -9.596 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 0.834 6.497 -12.668 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 -0.863 2.964 2.560 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 -4.115 4.061 7.656 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 3.670 -2.387 -0.237 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 -1.788 1.478 -0.424 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 -7.572 -5.127 -8.921 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 -16.212 -0.407 0.458 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 3.580 4.250 -0.590 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 -5.153 27.645 16.823 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 11.167 -7.384 1.548 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 6.446 0.867 -0.722 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 5.159 -4.260 4.164 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 4.813 0.393 -4.450 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 1.345 -2.031 -2.307 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 -11.268 13.329 0.042 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 3.958 -2.385 -3.083 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 2.962 1.162 4.647 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 -9.212 -7.360 1.431 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 -14.990 -12.567 -1.092 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 -3.917 -0.266 3.010 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 -15.488 12.271 -5.092 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 2.201 -1.836 6.862 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 5.060 -4.096 0.598 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 -14.565 -10.566 6.842 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 7.776 -6.681 5.642 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 1.177 5.435 2.175 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 6.155 -22.120 4.126 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 -3.895 23.616 -9.478 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 -0.360 4.030 1.483 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 -10.249 -3.709 -6.588 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 19.113 0.451 -5.686 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 -2.455 -2.478 4.728 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 2.870 9.466 -14.168 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 -3.083 -0.387 -3.534 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 7.168 -0.239 0.498 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 -4.295 -34.855 0.517 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 -0.578 8.623 18.518 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 -0.464 -1.659 1.158 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 -28.096 -3.707 8.947 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 -12.314 -6.759 5.640 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 -1.855 -5.737 -6.052 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 -2.298 -9.117 4.883 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 18.750 -2.650 -0.940 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 1.292 7.759 -1.175 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 9.926 -10.253 5.386 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 -18.877 0.136 -2.599 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 4.221 3.178 -4.479 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 -3.915 -0.832 -15.053 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 -13.381 -4.710 -21.220 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 2.468 -1.300 -1.100 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 -12.687 -20.677 -27.084 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 0.533 4.076 -3.599 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 -0.380 -3.182 0.166 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 -27.835 -25.538 -15.411 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 6.767 10.251 -1.243 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 -1.106 1.259 -7.294 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 -5.570 8.190 3.707 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 -11.749 1.715 -9.978 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 4.733 3.595 -0.981 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 6.165 -9.155 -2.518 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 -9.027 4.692 -13.352 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 3.919 4.103 -1.531 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 1.264 20.937 2.463 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 -5.797 10.149 25.357 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 7.864 -1.276 0.898 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 -13.052 -1.121 8.675 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 32.285 2.499 -10.005 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 6.467 -7.707 1.120 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 -7.259 11.443 14.493 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 -4.915 -3.567 6.052 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 0.354 -1.629 2.015 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 -11.259 -12.518 -2.876 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 6.433 19.210 19.073 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 -3.320 -0.322 -0.027 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 2.235 17.494 -1.958 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 -6.382 -18.583 -22.717 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 -1.499 -2.001 -3.560 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 -3.852 6.344 -7.617 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 3.381 5.781 -9.855 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 0.263 -3.914 -0.800 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 -3.994 -1.953 0.295 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 2.340 -14.377 -4.880 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 -3.653 0.467 0.788 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 -9.098 2.586 -7.907 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 -2.216 1.235 -10.064 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 -2.916 -2.937 -5.061 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 -15.810 -14.486 3.329 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 4.103 9.532 7.660 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 5.248 0.236 -0.809 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 -7.524 19.186 -20.130 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 0.871 12.471 -20.828 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 -5.137 0.915 -1.841 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 -5.210 21.859 -3.642 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 2.245 17.289 -12.633 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 0.993 0.207 11.485 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 10.156 -3.693 12.082 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 15.058 21.912 11.653 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 2.391 2.026 2.667 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 -4.702 1.104 11.595 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 10.905 -2.196 -6.885 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 -4.210 0.588 7.762 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 -5.413 5.019 -2.817 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 5.703 9.029 13.830 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 -2.158 -1.552 -2.900 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 -5.514 9.984 7.534 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 -14.131 9.476 -9.812 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 0.896 -0.794 -3.293 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 5.893 -11.164 -0.701 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 -3.763 -2.067 -0.089 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 2.290 -1.218 -5.612 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 -4.126 20.499 -14.137 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 23.105 -15.922 19.803 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 2.066 8.770 3.081 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 7.296 3.817 -3.824 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 0.378 0.538 10.633 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 0.470 3.513 0.559 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 10.813 6.531 4.151 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 15.981 13.144 9.534 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 3.474 0.883 2.144 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 -6.229 0.982 7.293 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 13.106 -7.073 -6.287 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 -1.801 1.566 2.984 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 -6.736 13.775 -0.642 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 -11.393 13.556 0.693 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 0.133 3.988 3.922 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 15.330 -5.742 -1.664 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 -14.525 -2.340 -9.077 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 3.074 3.192 3.423 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 -4.745 -11.079 4.286 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 8.160 -15.148 -4.042 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 2.869 -0.867 0.242 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 -2.114 -27.070 -9.451 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 -55.269 -23.240 -5.564 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 3.863 8.882 4.539 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 -1.082 9.320 -11.190 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 8.266 -2.862 -0.236 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 1.380 6.408 -2.064 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 2.093 -3.627 -5.317 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 1.012 -5.800 -6.020 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 3.477 -7.722 -1.189 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 -6.173 -11.043 -10.648 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 26.700 -7.744 -9.904 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 -0.025 -5.077 -4.501 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 -31.926 16.388 2.332 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 -7.190 1.792 6.818 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 -1.878 3.655 -2.859 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 7.273 6.680 7.770 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 2.521 15.793 -13.936 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 -2.396 1.364 -1.168 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 3.749 2.859 0.928 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 4.389 -3.620 -7.167 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 -5.749 2.503 -0.074 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 -6.812 8.554 3.666 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 1.168 6.327 0.923 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 -0.216 -0.851 0.191 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 -9.767 -14.806 -4.377 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 -11.044 7.535 -14.773 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 0.933 -0.537 0.265 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 -2.446 4.745 5.703 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 4.190 -6.129 -4.825 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 3.269 0.555 -2.505 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 -8.172 1.302 10.226 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 0.686 -9.216 -1.591 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 -2.857 -1.503 0.561 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 0.672 8.319 2.106 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 -7.042 0.037 0.466 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 0.046 3.405 1.136 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 -5.734 2.749 1.817 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 -21.857 10.425 -7.733 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 2.444 -5.845 -3.518 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 1.606 -28.830 4.302 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 11.714 4.420 16.326 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 10.515 -4.929 2.873 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 1.137 11.488 7.242 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 16.221 -9.526 -1.556 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 -0.957 -0.752 1.016 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 10.786 -11.984 1.193 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 -9.406 1.077 -11.506 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 -1.397 -2.955 -3.808 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 -19.113 14.672 -7.215 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 -7.151 1.261 -4.475 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 -1.328 3.969 -5.103 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 -15.772 -10.190 -8.629 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 -0.756 1.489 -9.439 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 2.208 5.860 -2.532 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 6.987 8.882 -5.004 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 6.172 -9.690 -6.593 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 -1.442 -4.258 3.474 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 2.631 -12.449 -18.003 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 -14.674 3.873 1.767 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 1.157 -2.746 -7.275 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 -9.262 5.892 4.689 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 4.743 -7.402 12.351 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 -5.508 -7.152 -9.839 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 -26.827 14.643 -24.171 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 -3.694 -6.693 7.769 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 0.209 1.809 4.008 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 -2.593 7.064 2.581 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 1.030 -4.700 -4.834 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 -7.435 -1.932 8.414 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 10.755 1.652 -3.857 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 -20.942 -18.832 -0.426 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 -3.034 0.410 -2.118 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 0.852 4.799 9.106 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 -15.194 -16.350 -2.097 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 3.893 3.777 -2.951 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 8.831 3.929 -15.279 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 -8.789 0.016 -4.543 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 -10.827 -3.767 -0.488 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 -17.607 -3.102 22.746 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 40.251 -2.063 -0.122 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 -5.605 2.485 -0.773 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 -1.700 15.584 7.171 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 -11.313 3.848 -13.074 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 -0.523 6.779 3.003 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 0.390 1.045 -8.167 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 -0.753 8.949 9.813 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 1.910 2.635 2.202 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 3.948 2.234 1.930 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 -4.779 7.093 4.747 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 2.769 -4.122 -1.385 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 -0.760 0.219 6.741 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 -3.083 -17.243 -4.512 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 1.955 0.307 1.640 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 5.196 2.827 5.461 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 10.759 -5.205 -6.423 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 -8.664 5.660 9.536 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 -28.151 18.164 4.963 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 -4.350 -9.513 10.935 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 2.106 -6.180 -2.185 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 -0.833 1.031 9.675 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 -19.257 8.532 10.843 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 -1.184 4.357 3.042 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 10.639 -16.368 21.507 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 13.005 4.698 -24.900 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 3.928 -6.794 5.704 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 0.339 -2.581 19.103 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 14.122 7.978 -11.444 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 6.692 1.236 6.186 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 16.829 2.253 1.200 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 13.328 -9.063 11.509 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 0.914 4.049 5.203 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 0.341 -4.072 5.775 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 -0.888 16.854 -1.991 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 -2.106 1.615 -1.183 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 -1.166 9.620 -4.651 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 -1.138 4.028 -1.818 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 3.071 -2.646 9.635 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 -17.947 -16.816 4.574 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 13.368 7.532 -14.122 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 -1.027 -4.853 -6.918 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 -2.023 -15.876 7.018 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 1.033 -14.059 1.639 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 -2.606 -2.021 3.081 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 -8.645 -11.654 0.566 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 -0.808 -0.156 3.358 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 1.354 1.910 -0.717 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 -8.404 -17.961 -4.918 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 -5.390 -2.701 -3.635 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 -0.256 -2.266 2.450 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 -7.256 -10.703 -15.774 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 -2.451 3.896 34.708 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 -2.225 -3.671 -4.255 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 -1.813 4.111 5.531 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 -0.251 8.259 -29.790 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 4.488 3.783 3.171 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 -18.139 9.379 -9.639 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 -8.070 -17.538 18.113 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 2.953 -2.694 -6.208 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 18.009 19.964 -11.829 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 -17.742 11.417 -6.317 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 -0.695 -2.305 -4.217 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 -4.587 -7.132 -6.044 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 -7.988 -3.179 7.208 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 -3.453 10.097 4.340 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 -3.067 20.222 -14.650 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 -17.921 -1.316 9.658 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 7.434 -4.084 -3.054 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 1.635 -2.517 17.201 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 -10.694 -14.245 -12.709 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 4.329 -1.372 0.121 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 9.223 -8.741 -7.054 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 -1.473 10.043 -2.403 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 1.368 1.719 2.398 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 2.578 1.044 -6.082 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 -2.363 -2.514 4.937 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 -0.374 -7.696 2.329 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 -3.141 -9.951 30.543 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 -1.386 -6.950 4.067 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 6.460 -1.438 -3.012 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 -5.749 0.603 -5.158 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 21.358 -6.353 9.497 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 1.877 2.300 -2.546 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 -3.433 4.351 -1.335 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 0.930 -11.177 -8.704 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 -6.093 4.205 -3.209 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 6.708 6.291 -11.486 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 15.902 -2.975 11.731 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 1.750 -1.578 -6.733 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 21.277 -22.334 -2.116 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 -3.242 4.112 -7.393 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 -0.930 -6.179 -1.885 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 -0.315 6.880 2.722 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 -14.593 -25.833 -22.857 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 1.073 1.782 -1.563 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 10.373 -16.261 -7.806 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 -1.902 31.480 -13.220 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 -1.292 -1.657 -2.636 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 14.177 -3.467 -22.293 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 -4.283 -1.172 0.372 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 -1.284 0.132 -10.021 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 9.196 -17.336 10.065 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 2.589 5.237 -17.826 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 3.666 -4.842 -2.516 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 7.292 12.468 0.183 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 5.270 0.425 10.959 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 -4.140 -4.394 -3.958 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 -5.660 1.214 0.728 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 -3.855 -7.182 -4.616 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 7.924 7.571 1.911 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 -22.274 5.468 -1.270 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 15.171 17.459 -19.395 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 4.503 -3.410 -1.540 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 5.165 -2.422 0.585 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 -0.347 -12.921 -21.857 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 -1.393 1.487 0.025 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 -2.674 13.181 10.561 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 11.119 -1.244 0.543 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 -0.811 2.651 0.164 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 -1.528 -2.366 4.063 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 -6.896 4.807 -0.781 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 -2.217 0.658 5.166 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 -19.584 16.183 -16.503 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 9.013 9.626 5.814 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 -0.168 0.327 -2.805 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 -12.453 -28.824 -20.413 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 -6.155 -18.905 -6.968 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 -0.229 -11.643 2.856 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 -10.466 0.760 -0.899 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 0.052 -11.684 3.089 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 1.537 -2.726 4.624 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 2.968 17.975 12.530 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 4.980 -15.654 5.885 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 6.835 3.147 1.540 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 -15.083 -11.367 32.366 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 -3.858 18.350 40.460 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 -8.539 0.249 1.691 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 7.917 -6.832 3.438 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 24.211 -6.627 0.700 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 -1.404 -4.407 4.341 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 7.649 10.012 15.507 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 -17.005 -20.398 -9.549 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 -0.464 -7.630 2.093 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 1.265 -9.436 -3.686 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 1.693 -2.162 4.358 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 -7.100 -0.618 0.995 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 -6.175 1.699 -1.583 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 -8.148 -5.946 5.319 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 6.304 2.505 -6.969 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 7.470 -5.603 3.614 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 -1.536 -7.371 -14.625 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 -2.527 5.788 -8.719 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 0.904 4.369 -5.752 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 -0.667 -1.263 -11.807 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 -0.576 -8.765 -2.494 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 -11.843 -1.180 -8.835 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 9.141 -9.612 -23.057 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 -0.339 0.333 -0.723 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 -0.602 -3.461 11.317 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 1.521 -1.351 5.713 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 -2.119 5.079 -2.070 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 17.589 8.893 1.910 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 -4.672 14.171 -20.227 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 -3.026 -3.135 -1.085 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 3.138 -8.704 -4.833 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 -7.110 -0.674 -1.728 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 -0.545 -2.714 -9.430 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 -21.479 9.966 -13.202 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 -3.336 -17.041 10.359 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 1.958 3.915 4.006 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 -4.944 -2.266 9.647 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 2.544 4.832 5.943 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 -1.021 2.584 2.016 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 13.836 -14.747 5.184 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 -6.084 6.002 -3.410 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 4.884 -2.851 7.715 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 -1.785 -7.190 1.591 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 4.393 -2.287 11.081 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 -2.447 -5.200 -0.116 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 3.752 2.084 -39.665 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 18.921 16.536 8.951 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 0.369 11.411 -6.523 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 0.962 -2.225 7.165 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 -2.472 11.202 -25.916 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 8.063 -7.446 -4.786 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 -9.793 -3.649 -3.838 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 -2.311 -3.969 -15.938 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 -1.217 0.446 -3.889 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 -1.518 -0.503 -1.420 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 1.647 -1.256 -0.647 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 1.030 2.038 6.542 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 12.587 15.004 7.507 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 -6.591 5.224 2.533 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 -2.540 -4.442 -1.382 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 -11.989 3.042 0.242 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 -18.363 6.219 10.692 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 -4.832 -4.225 2.340 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 -2.717 -4.988 0.256 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 -15.808 5.683 3.855 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 3.088 2.354 3.230 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 14.858 -0.214 2.566 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 7.578 2.947 0.547 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 2.277 -4.868 -1.182 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 0.573 0.413 8.214 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 12.572 -3.480 3.864 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 1.615 8.094 -0.490 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 13.209 -7.193 -6.008 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 -0.049 15.124 -13.651 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 -1.477 -2.604 1.889 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 -3.586 2.073 -1.653 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 -4.731 4.854 -1.360 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 0.987 -6.775 0.053 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 -1.735 -12.881 2.397 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 -2.823 -9.445 -2.146 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 -1.298 7.808 4.434 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 -7.330 10.203 7.251 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 -6.178 3.662 3.389 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 0.201 3.517 -0.752 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 7.789 2.272 -3.436 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 2.859 0.502 8.758 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 1.511 -3.326 -1.698 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 8.579 -0.629 -13.050 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 19.517 22.518 10.371 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 -5.417 -2.946 2.796 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 7.831 13.162 2.906 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 -18.043 -8.378 -1.894 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 -2.764 -3.082 2.194 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 26.294 2.718 -1.674 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 -13.860 -7.430 -4.089 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 -0.846 -5.716 -3.166 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 -6.761 5.094 -3.272 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 -11.175 10.654 2.399 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 -2.422 -9.207 0.300 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 -10.148 2.258 -0.299 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 -15.223 -29.708 27.302 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 -3.666 2.446 -2.367 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 -12.925 -11.621 -16.865 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 6.119 17.084 6.714 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 -6.367 0.179 2.123 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 2.614 -12.643 1.674 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 -3.340 -1.345 11.274 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 -2.164 -4.737 2.401 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 -4.498 -8.733 -4.027 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 19.498 -14.442 -0.119 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 -0.744 -1.370 -2.485 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 9.389 3.710 20.124 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 -0.015 -4.852 -11.288 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 2.130 1.127 5.092 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 24.148 1.186 -5.085 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 -12.513 -2.675 4.802 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 0.554 2.209 -3.981 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 -16.281 -1.663 1.598 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 -12.022 -3.281 2.269 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -5.530 5.933 -1.125 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 2.700 6.279 -11.707 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 -9.666 20.319 6.954 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 -5.204 0.197 -1.804 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 -6.570 -13.460 -10.185 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 -1.652 3.532 -3.826 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 -2.412 -0.032 2.972 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 -6.241 5.122 -2.440 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 -8.898 -11.326 -8.910 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 -0.013 -2.214 -2.118 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 -14.792 -1.831 -7.332 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 2.634 -0.659 3.165 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 -0.900 -2.637 0.881 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 -7.455 15.483 -11.594 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 12.990 10.452 -4.958 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 1.828 1.659 -1.421 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 8.216 -12.453 2.452 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 -18.462 2.707 -5.743 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 -0.623 -0.606 -2.436 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 -22.339 5.559 -18.049 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 -21.535 7.156 -18.086 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 0.355 -3.984 2.602 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 5.067 -9.143 9.926 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 4.432 5.642 -12.254 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 0.447 -2.809 9.324 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 -2.260 -9.294 21.661 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 -0.729 4.880 -3.929 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 2.741 -4.993 3.602 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 -18.675 -10.524 -7.499 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 -0.962 13.410 -1.599 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 8.451 -0.036 -1.071 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 -20.513 -21.474 30.317 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 -13.975 -0.403 -12.099 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 -3.213 3.641 -1.586 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 -6.361 14.416 2.756 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 -7.176 14.920 -11.793 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 2.308 5.132 -6.628 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 15.073 2.155 -16.446 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 9.424 1.106 -7.252 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 0.807 -0.310 -4.561 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 -5.656 6.896 -1.049 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 7.746 3.498 -4.709 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 -5.941 -2.334 -4.363 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 13.557 6.039 -15.982 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 3.639 2.136 -3.884 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 -4.162 -0.210 -4.683 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 1.539 -0.680 25.956 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 -2.920 0.068 6.447 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 0.935 -4.780 4.919 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 -22.932 13.233 -1.048 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 -6.001 11.446 5.725 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 2.863 -3.995 3.531 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 9.063 16.176 -2.624 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 -0.497 8.747 6.611 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 -9.428 -3.254 9.195 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 -12.131 26.017 -0.811 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 -2.784 1.311 6.916 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 -0.258 -4.852 6.163 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 -5.063 -16.474 -6.527 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 -11.511 -7.328 11.724 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 1.432 -0.779 -2.473 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 11.173 11.448 2.683 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 -0.925 -5.184 -19.153 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 3.122 -4.045 -0.187 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 -5.065 -0.731 3.851 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 7.480 -1.296 10.570 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 6.257 -4.168 0.580 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 -1.191 0.509 -4.169 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 -0.483 -0.274 -7.177 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 -4.813 1.977 6.238 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 4.548 -13.474 17.671 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 -4.574 -10.067 3.710 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 4.285 3.054 -1.973 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 -5.611 -2.857 -2.637 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 1.754 -1.528 -3.345 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 -2.460 3.552 -0.356 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 -6.127 0.191 0.902 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 21.810 6.406 9.463 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 4.163 4.000 5.886 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 16.716 17.741 -1.758 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 -2.990 -4.230 -9.881 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 1.770 -9.673 1.639 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 -4.520 -13.536 -7.205 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 -1.290 -8.664 -1.248 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 -8.117 2.627 -1.496 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 -3.295 -1.748 0.555 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 -1.104 2.420 5.284 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 -2.375 2.416 0.209 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 6.126 10.151 -13.543 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 -32.783 3.584 6.784 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 1.766 8.129 -3.553 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 -7.319 14.758 -14.260 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 -7.280 -6.421 -5.968 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 -0.325 2.436 -3.416 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 -7.304 -5.526 -22.474 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 17.064 -6.775 -0.467 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 5.729 1.715 3.878 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 8.240 1.701 8.581 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 2.627 4.511 -4.198 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 -0.277 2.186 -0.635 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 3.707 -5.156 20.457 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 -5.368 4.683 1.448 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 -0.048 -4.392 1.548 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 -0.086 -9.776 -3.155 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 -1.976 2.602 4.638 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 -0.681 -2.223 -2.387 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 -0.922 -10.778 5.467 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 -1.328 4.660 -7.078 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 5.275 -3.813 6.390 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 -13.188 -12.247 6.452 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 5.136 0.885 -0.381 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 -0.186 4.815 -1.959 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 0.724 7.115 -1.165 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 2.438 -8.437 -9.693 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 -4.195 1.609 -0.128 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 6.122 8.227 9.589 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 -17.589 -24.201 12.530 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 -0.672 -3.318 -3.021 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 -9.199 -8.076 -7.671 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 4.316 -7.493 -1.829 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 1.467 -1.468 -1.949 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 -8.522 7.824 0.749 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 9.692 11.674 19.079 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 -2.478 6.271 1.260 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 -21.659 -10.918 -37.902 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 30.443 -11.319 -7.902 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 -2.275 -2.150 7.253 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 8.804 2.315 13.926 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 2.647 -13.927 12.662 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 3.156 3.612 -1.480 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 -0.509 0.525 -1.315 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 -8.164 -36.498 -0.427 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 0.318 0.682 0.038 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 24.948 -29.043 -4.330 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 -28.751 17.090 -21.126 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 5.842 -2.358 3.984 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 -13.559 -2.413 31.740 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 17.078 -1.479 -18.193 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 -6.342 -2.543 0.474 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 2.466 -10.703 12.025 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 -11.181 -4.889 6.269 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 -4.534 -0.194 3.721 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 -14.077 13.673 6.759 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 11.688 -25.377 -2.203 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 -4.582 1.891 6.323 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 8.123 -11.244 -7.008 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 8.984 15.467 13.489 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 -2.451 3.979 -1.683 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 2.822 0.200 -5.586 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 2.674 -4.626 4.664 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 -3.085 -0.034 0.118 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 -8.700 9.666 5.965 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 8.292 2.471 4.442 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 8.277 -1.437 -1.887 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 19.809 5.114 28.407 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 28.434 8.352 -11.934 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 3.306 1.464 4.351 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 2.450 6.322 18.687 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 2.566 13.401 19.016 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 -1.904 -1.510 7.246 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 -0.221 -1.777 3.800 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 -6.689 2.220 21.514 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 1.365 -2.981 5.179 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 3.922 11.291 -15.323 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 4.847 -1.494 6.823 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 -1.924 2.183 -0.006 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 -14.591 11.853 10.928 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 -17.489 11.359 4.142 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 2.570 -0.253 -4.012 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 -8.580 -1.412 -1.225 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 3.094 3.324 18.427 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 3.609 -5.458 -2.109 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 9.973 22.113 10.869 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 16.089 -28.900 -6.898 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 -3.841 -1.351 0.141 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 -9.647 1.543 17.089 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 -5.714 -3.083 -5.256 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 4.146 3.800 6.337 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 8.761 -18.926 -21.124 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 6.457 3.448 20.399 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 0.334 -1.576 -2.570 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 -6.788 4.102 -7.097 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 10.965 -9.860 6.408 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 5.330 -9.800 -1.230 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 -2.617 -10.484 -1.157 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 9.498 -11.048 -0.835 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 -2.097 -1.084 3.603 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 -7.050 -0.169 13.605 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 -17.620 -9.693 6.688 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 2.779 -1.604 3.987 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 -7.657 -11.641 -8.398 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 -4.382 15.964 2.035 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 -2.851 -7.183 1.478 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 -13.539 9.796 10.711 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 15.592 -2.500 11.777 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 -1.830 1.607 -2.952 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 3.477 -18.555 13.313 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 -35.312 11.760 3.754 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 0.338 -0.348 0.665 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 -9.222 7.365 5.065 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 7.734 -5.243 1.411 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 1.660 0.520 -6.752 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 0.586 -1.050 9.499 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 -0.184 2.155 -8.075 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 2.299 6.969 10.900 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 13.720 -2.833 -1.184 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 -17.823 0.394 14.109 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 -0.186 11.884 -2.318 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 -3.696 3.323 -7.908 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 0.084 8.269 -10.773 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 -4.675 -0.574 -2.508 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 -22.795 0.207 4.823 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 -38.278 2.755 -5.856 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 -2.054 1.163 -2.981 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 -16.625 22.244 -11.035 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 -8.048 -14.623 -12.814 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 -3.333 -1.114 4.805 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 19.910 42.977 8.593 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 -6.859 -24.801 32.263 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 3.939 4.841 6.759 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 -5.207 25.213 7.458 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 4.408 14.622 -9.559 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 -2.299 -1.315 1.505 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 -5.126 3.737 15.099 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 -8.236 -2.573 16.259 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 5.192 -1.078 -0.620 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 -8.992 -1.597 -11.437 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 9.012 -7.962 -25.487 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 1.844 -1.565 -2.445 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 15.536 -11.149 -3.735 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 -3.187 -8.393 12.751 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 -1.655 -6.651 0.756 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 -7.583 -2.600 -0.425 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 -6.787 -22.340 25.628 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 -1.846 -2.005 3.944 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 1.386 -18.099 -9.795 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 15.156 -8.073 0.120 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 7.452 1.232 3.465 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 7.049 26.369 -26.523 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 11.890 19.536 15.231 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 -8.447 -8.038 0.295 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 1.966 9.569 -4.577 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 3.068 -12.351 8.571 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 1.145 4.019 -0.617 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 -14.063 -0.018 6.389 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 3.554 15.495 8.105 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 -1.338 -1.291 -8.190 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 -12.107 -5.625 -8.307 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 12.602 26.131 3.087 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 5.896 5.623 -10.712 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 -5.212 -19.278 -15.540 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 8.452 3.018 3.619 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 3.643 6.467 -0.106 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 11.965 -0.270 -4.112 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 -1.081 19.695 16.929 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 -3.634 -7.311 2.696 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 3.856 -8.969 0.902 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 14.703 11.360 23.728 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 1.531 6.910 -6.072 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 8.503 0.782 -2.118 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 -17.105 -5.381 -13.817 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 -7.256 6.964 -4.764 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 3.676 8.567 -3.234 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 -6.806 5.382 -1.783 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 1.692 1.151 0.296 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 0.924 -4.836 -3.525 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 -7.259 -24.139 -9.146 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 4.145 7.528 2.591 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 -2.768 34.471 27.436 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 26.687 16.674 -3.898 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 9.820 0.143 0.051 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 -7.631 -1.759 -8.532 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 -12.240 10.605 -7.791 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 -2.885 2.727 -4.347 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 2.773 -22.291 25.507 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 2.027 18.339 -21.318 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 -2.061 2.794 3.629 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 4.323 -4.394 5.916 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 -12.738 11.074 5.644 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 2.514 2.209 -0.274 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 -0.586 -7.772 6.616 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 -7.395 -15.213 -6.815 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 -2.585 -3.322 7.941 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 3.910 -2.924 0.083 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 -1.253 19.395 21.495 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 -3.103 1.380 -3.939 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 15.347 -4.179 -3.987 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 -5.357 13.061 11.867 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 -2.855 -5.462 -6.246 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 3.190 9.211 -3.208 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 10.357 -13.298 -9.104 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 -3.574 -5.835 4.245 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 10.179 -0.171 -0.547 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 -15.408 1.397 -3.612 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 5.464 0.808 -0.762 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 27.858 -10.998 12.932 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 -13.223 11.817 -8.029 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 -2.468 0.879 2.571 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 17.561 -3.494 6.864 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 -4.094 -1.637 -8.525 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 -2.519 3.251 -1.336 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 -8.776 6.187 -0.765 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 13.265 6.119 -2.512 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 -5.802 2.415 5.895 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 -6.824 1.339 7.783 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 -4.058 0.927 5.633 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 -2.832 1.961 -5.803 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 -1.590 -9.638 -4.643 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 -7.149 7.242 8.806 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 0.885 -1.594 6.996 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 0.348 -19.102 -4.630 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 14.849 -10.371 3.281 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 -0.929 -5.752 -3.497 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 -6.321 -5.461 1.829 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 2.711 -0.685 -15.596 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 2.499 -3.905 3.714 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 10.674 10.397 36.680 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 10.785 3.940 -14.774 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 3.143 -4.800 3.862 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 -11.777 -6.859 10.153 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 -22.878 -7.356 -1.042 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 -5.207 5.292 0.878 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 5.462 16.255 -18.381 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 14.303 27.298 14.554 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 -1.481 4.277 3.615 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 11.410 17.516 2.887 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 4.558 -11.806 -5.988 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 -1.333 -1.739 -2.616 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 -2.136 0.929 -6.231 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 -3.544 1.931 0.157 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 -2.780 0.194 -1.344 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 -9.107 13.117 -17.095 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 -8.405 -12.632 6.443 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 -5.474 0.597 -0.876 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 8.438 -0.114 -10.168 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 -6.781 -0.037 -1.228 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 -1.445 -0.335 -1.799 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 -5.285 1.099 5.460 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 15.146 -1.752 -6.856 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 0.956 -8.110 -1.429 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 11.222 -1.094 -9.475 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 7.474 -1.942 23.845 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 3.808 -3.392 5.491 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 7.678 -5.020 11.851 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 3.411 -9.155 4.418 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 -3.051 -6.547 -1.581 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 -7.474 -11.415 19.927 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 11.510 1.270 -15.702 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 2.999 -3.134 8.841 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 -8.494 16.829 4.176 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 -7.475 14.658 10.212 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 -2.441 -2.817 -6.067 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 -29.771 -10.440 1.782 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 -2.301 4.944 -9.626 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 4.138 -0.143 1.232 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 -8.428 31.599 -0.389 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 20.787 -18.175 -3.373 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 1.852 4.087 1.481 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 26.098 -24.848 12.593 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 -4.587 3.349 3.976 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 0.236 3.435 3.063 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 0.407 15.002 -1.385 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 -8.030 -23.197 7.976 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 3.943 2.015 5.453 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 4.060 10.117 -15.455 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 2.089 -0.956 6.111 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 -1.397 -4.440 2.334 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 0.156 -21.733 3.062 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 -16.469 -18.413 -9.261 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 -0.844 1.297 1.937 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 32.414 0.786 -7.423 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 -34.408 2.715 8.660 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 -6.947 2.562 6.135 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 -1.642 22.585 1.120 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 -0.632 19.445 9.722 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 -2.789 5.272 5.572 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 0.604 15.932 29.831 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 3.941 5.915 13.694 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 3.384 -2.240 3.503 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 11.525 -14.292 -15.143 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 5.241 7.355 -15.915 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 1.402 1.285 0.952 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 7.608 3.082 3.281 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 3.942 -0.997 0.238 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 -2.037 1.165 -0.663 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 -3.038 12.288 46.401 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 18.323 23.682 -35.962 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 -2.066 -0.152 -1.646 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 16.644 4.808 7.735 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 -10.130 7.906 10.972 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 5.525 -1.929 1.173 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 6.547 -21.834 -14.826 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 -0.813 -10.080 1.146 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 1.265 -0.009 -4.201 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 10.087 -6.476 -1.799 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 5.536 -16.700 5.592 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 1.745 0.550 3.530 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 4.196 4.737 -9.884 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 -10.721 -2.848 1.876 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 3.445 1.754 3.283 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 -5.375 16.248 -21.310 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 15.377 -11.065 24.218 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 2.501 4.186 -2.938 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 -1.788 10.012 -16.016 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 -3.284 15.475 -14.537 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 -4.121 0.651 7.458 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 12.323 -0.609 -0.032 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 6.969 -0.011 1.244 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 5.077 -1.182 0.709 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 -9.968 1.133 15.655 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 7.482 18.282 -7.801 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 2.429 -0.854 -1.843 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 1.844 -2.747 3.285 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 -13.094 5.073 2.431 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 2.087 2.823 -8.433 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 24.748 9.144 1.167 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 -7.648 -2.432 6.168 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 2.091 2.348 -8.377 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 -3.068 3.508 1.097 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 -14.511 9.067 -12.206 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 -5.804 -1.720 -2.104 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 -8.134 -15.256 7.780 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 -6.226 9.217 -11.092 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 4.354 -5.717 3.096 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 1.865 -15.045 12.092 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 -6.992 -21.030 29.519 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 0.017 -8.620 -5.758 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 0.022 2.812 -9.396 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 -6.819 -2.584 -7.650 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 -4.158 -0.361 -4.209 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 -14.457 10.832 -9.446 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 -32.645 27.930 -35.808 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 7.368 5.413 5.484 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 -7.164 -9.518 -25.890 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 16.964 -10.136 5.778 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 1.982 3.228 -0.593 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 9.814 2.573 -1.756 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 2.857 8.043 0.831 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 -4.925 0.424 -4.745 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 -2.281 10.180 -12.203 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 17.721 19.583 10.042 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 4.168 2.559 3.871 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 9.683 -10.991 2.864 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 8.156 13.511 5.459 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 -1.072 -1.110 -0.745 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 8.252 -17.060 -0.555 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 2.151 5.746 3.386 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 -0.565 0.382 -4.566 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 -3.095 3.142 12.452 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 -13.920 2.503 8.536 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 -3.137 3.065 2.102 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 -10.137 6.447 -0.523 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 -6.083 19.350 2.164 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 -4.164 -1.709 7.769 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 17.116 -16.756 13.968 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 17.648 -5.262 44.456 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 -1.919 4.731 -2.480 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 1.857 5.630 1.008 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 13.599 15.589 13.155 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 0.726 -4.589 -2.135 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 0.875 -3.494 -2.640 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 2.941 22.379 -4.592 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 2.025 1.367 -3.303 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 -16.543 1.588 -3.576 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 24.421 1.219 0.501 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 2.318 3.307 -2.757 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 -10.553 -4.242 -21.528 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 2.212 11.201 -1.054 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 1.862 3.540 8.299 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 -4.781 2.495 12.579 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 11.256 21.815 14.728 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 -0.054 -2.433 -0.609 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 0.318 -31.402 11.819 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 9.124 1.914 -15.205 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 8.797 -2.077 1.278 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 -4.532 -9.488 -1.274 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 -2.891 12.090 -13.275 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 -4.262 -4.417 -5.945 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 -11.057 -13.254 -2.648 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 5.628 -5.594 1.292 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 -13.580 -1.557 -2.394 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 -24.994 -26.333 -8.094 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 20.088 10.945 -3.948 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 1.496 -0.841 -2.075 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 17.551 9.156 -2.037 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 -5.850 3.070 -31.453 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 -3.618 -0.873 -2.884 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 -3.951 -2.885 -3.512 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 16.248 -2.690 17.422 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 3.334 -4.716 6.051 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 10.390 14.723 -10.018 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 4.892 4.161 0.088 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 2.980 1.022 -0.894 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 -8.516 -11.945 5.078 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 9.232 -5.880 -16.602 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 -0.260 -4.812 3.209 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 -5.689 1.052 10.697 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 -5.170 -24.651 19.009 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 1.411 -2.689 2.123 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 4.417 2.049 -4.699 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 -9.431 -2.545 -0.505 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 0.028 3.837 1.331 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 6.674 15.651 20.132 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 -1.725 -3.716 -4.892 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 3.418 -5.256 -2.862 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 -4.858 -17.047 11.530 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 -11.990 7.682 -0.462 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 4.143 2.815 4.875 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 -27.844 6.767 9.284 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 -4.899 -4.199 12.718 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 1.934 -3.076 6.251 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 1.878 -3.862 6.582 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 -9.140 4.722 8.809 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 -1.111 -0.009 -5.733 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 -4.658 2.167 8.582 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 19.022 5.325 21.112 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 -0.008 4.384 -3.710 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 2.882 13.185 -4.529 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 -1.206 1.100 -3.870 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 -0.253 -2.128 -1.248 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 -3.852 1.625 2.725 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 -9.875 6.148 -0.753 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 -4.816 3.065 -1.572 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 -20.386 4.501 -14.376 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 4.495 27.990 -3.564 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 1.875 -4.165 8.947 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 -6.428 -4.963 -15.274 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 -13.125 6.532 16.421 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 -4.281 -0.159 -2.528 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 -14.643 -11.844 -2.225 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 15.362 -3.666 12.869 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 0.707 -1.424 1.232 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 3.751 3.180 -4.469 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 -8.568 -19.170 11.778 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 0.248 -1.046 -3.074 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 3.279 0.061 -3.997 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 0.826 -4.765 5.480 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 -0.020 1.662 4.427 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 -16.675 -17.336 -2.805 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 4.180 -11.497 19.009 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 -0.919 4.675 -1.425 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 7.305 4.552 3.628 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 -3.220 -1.700 -2.716 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 -2.877 -3.528 -4.223 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 0.694 -3.414 0.567 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 2.003 -0.088 21.414 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 -2.607 -0.576 -0.968 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 7.684 -4.292 -12.413 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 -2.981 4.508 18.507 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 1.317 -0.426 -0.614 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 0.456 -4.285 11.148 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 -5.635 0.420 -10.421 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 -0.749 -1.343 1.087 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 -1.134 1.454 4.502 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 -2.603 2.737 6.530 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 0.910 4.938 5.927 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 17.054 -17.984 -2.771 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 0.994 2.651 3.772 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 3.320 -1.683 3.135 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 12.484 -10.388 19.081 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 12.223 -14.914 -10.415 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 6.183 -7.166 -2.697 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 4.604 14.885 -13.432 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 9.271 -28.435 8.565 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 -4.614 4.447 6.661 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 10.162 10.739 12.982 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 0.032 -7.597 -6.093 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 7.362 -1.715 3.776 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 -19.687 -4.223 9.164 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 16.189 -30.456 18.138 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 -2.055 1.235 -5.474 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 -17.347 11.192 2.584 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 -0.473 -13.150 -24.089 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 0.703 3.618 4.623 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 -8.340 -18.565 -3.397 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 14.216 14.981 -0.977 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 -2.136 -2.811 -6.404 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 0.153 -15.483 -4.309 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 5.320 -10.798 0.162 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 4.140 3.657 1.211 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 -0.008 13.593 20.371 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 5.609 3.654 -1.745 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 1.984 7.009 6.458 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 7.104 -12.795 14.606 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 -1.621 11.477 -0.483 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 -4.979 1.969 2.785 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 -7.355 8.078 -3.493 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 4.596 16.501 -1.162 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 -0.486 -8.061 4.799 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 -33.330 12.958 0.684 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 -0.578 -25.241 19.751 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 -3.087 -1.979 1.720 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 -13.095 2.016 4.041 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 5.039 -9.089 13.611 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 -4.345 6.503 3.179 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 -15.671 34.091 -7.643 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 0.265 -2.239 5.335 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 -6.200 -4.646 2.647 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 -3.799 -7.174 1.366 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 -5.535 -8.293 2.948 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 0.806 -2.206 1.716 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 4.308 -16.911 -1.266 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 -4.241 6.700 -5.499 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 4.869 -1.918 1.319 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 -0.455 7.404 -6.215 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 6.206 -23.465 8.739 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 -5.645 -2.730 -0.044 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 -3.948 -6.760 -10.556 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 -5.578 -2.310 2.733 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 -0.891 -0.083 1.384 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 -0.151 15.219 9.165 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 5.553 -4.502 -1.113 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 -2.269 3.360 2.712 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 26.534 17.833 4.926 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 -9.924 0.573 2.802 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 3.876 2.913 -5.915 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 -9.717 33.848 18.643 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 9.030 -6.727 -20.556 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 1.223 2.795 -0.103 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 -15.819 15.137 12.412 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 -2.324 -0.252 -0.721 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 -2.438 1.373 5.473 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 2.467 6.672 12.093 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 -13.514 -16.039 -3.773 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 -2.313 1.363 -8.227 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 5.489 2.285 -16.537 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 11.258 5.473 -4.482 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 1.995 0.959 0.237 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 5.621 -5.270 9.132 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 -19.896 -3.173 -21.089 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 2.479 0.121 3.777 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 4.487 -0.916 5.853 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 -3.367 5.421 -10.617 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 -6.218 0.140 -6.813 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 -3.755 -4.727 -9.460 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 -10.633 -3.340 -3.922 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 -2.653 -2.147 -0.226 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 -0.427 -7.521 -2.122 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 -1.706 -3.261 -6.988 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 0.784 0.404 7.601 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 5.580 8.002 13.540 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 -7.975 -11.852 -1.590 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 5.484 2.289 2.563 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 -22.557 18.957 -9.426 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 22.286 12.334 15.901 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 -8.516 -4.654 4.349 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 -9.484 -2.553 2.842 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 -7.053 2.835 -1.263 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 -7.003 -6.393 3.485 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 -15.870 -7.906 -11.625 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 -5.386 18.759 -14.272 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 -3.573 -3.493 -0.853 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 -26.491 25.278 26.782 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 -17.733 -11.486 17.594 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 -6.219 1.802 5.786 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 -6.758 2.665 4.227 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 -5.186 1.181 6.586 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 -2.053 -1.531 -3.952 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 -26.999 -16.504 16.478 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 -10.278 -8.160 -4.517 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 2.533 -1.568 0.162 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 -0.597 8.302 -19.212 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 10.248 -0.926 16.244 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 -1.252 -5.112 -1.681 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 10.081 -8.426 0.903 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 5.454 6.969 3.119 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 6.076 -6.352 -3.999 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 5.308 -29.857 -10.261 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 10.924 26.812 -13.064 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 -0.149 0.764 1.315 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 16.369 -11.150 -18.370 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 -3.120 -11.786 15.909 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 3.974 -4.042 -7.614 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 5.100 -4.296 -3.291 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 -0.204 1.806 -12.355 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 6.881 -3.544 -0.609 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 3.699 -1.223 1.068 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 5.718 -3.769 1.256 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 6.519 0.044 0.547 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 6.872 0.637 -0.489 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 -0.146 -17.360 4.589 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 -0.783 0.992 -2.995 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 -3.849 0.032 -0.682 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 9.753 6.147 -14.183 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 2.014 1.149 1.076 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 -3.434 -2.815 8.565 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 6.465 -6.814 -3.383 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 1.170 -0.516 -0.908 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 -7.288 -3.716 15.693 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 9.741 1.658 -0.626 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 5.387 -4.942 4.616 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 6.949 8.882 9.661 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 17.539 -1.751 -8.592 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 0.771 -1.081 -1.570 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 -5.385 -10.740 -2.074 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 9.160 19.490 6.754 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 -0.996 -3.303 -1.951 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 9.087 4.832 23.503 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 -3.715 -22.918 -4.784 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 2.121 -4.045 3.994 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 24.977 -3.079 -16.484 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 11.626 17.595 -2.842 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 0.946 -0.866 1.900 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 -10.454 -6.259 5.162 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 1.564 13.103 -9.314 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 -2.107 0.787 -3.051 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 7.335 -5.894 27.104 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 -9.635 -10.126 -4.497 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 4.481 -2.333 -2.553 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 -5.554 2.645 -5.568 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 -6.964 16.980 -3.469 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 1.382 -4.378 -1.778 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 -11.152 -2.153 -9.372 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 -1.892 -18.657 -5.864 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 4.475 1.197 -3.800 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 -5.383 7.988 2.219 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 -2.048 9.123 12.115 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 1.419 3.666 2.327 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 -5.697 2.070 3.415 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 -0.334 10.117 1.901 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 -7.304 6.463 1.363 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 -9.801 -10.363 -13.376 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 -3.169 -16.078 -8.675 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 -1.683 0.831 -3.208 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 10.702 0.035 5.523 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 -10.423 -6.203 -8.678 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 -0.342 -5.131 -2.430 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 -0.189 15.770 -18.305 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 8.813 -4.868 -12.940 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 -3.896 0.064 -3.426 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 5.139 1.173 1.647 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 -4.084 -20.273 -19.868 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 -2.575 -7.252 1.538 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 25.108 8.952 -7.569 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 -3.674 -5.122 24.696 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 -1.941 3.289 -3.311 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 1.169 15.436 -12.146 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 -7.532 -6.308 5.709 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 3.129 -1.584 -2.870 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 0.754 -16.160 -5.867 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 -25.776 40.574 0.491 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 -0.202 -6.037 -3.362 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 0.057 -18.975 -28.757 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 -26.158 -7.119 7.658 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 7.593 -1.467 0.631 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 9.073 -6.839 -2.204 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 11.787 -0.174 -0.135 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 0.633 -0.819 1.215 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 -7.896 -7.188 2.646 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 0.942 -3.689 4.829 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 -6.778 -2.789 -4.530 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 -7.899 1.390 -2.684 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 9.020 -11.327 0.748 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 -5.605 2.986 0.644 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 -9.700 -0.447 7.837 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 -4.847 12.462 12.437 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 -1.268 -0.823 4.970 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 -10.062 -8.229 -28.791 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 20.936 -12.229 16.864 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 -0.197 2.737 -1.103 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 -7.782 8.232 -9.929 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 8.429 13.606 -6.417 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 -3.486 -3.474 -0.207 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 -5.081 -1.359 4.654 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 11.361 -7.511 -2.208 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 0.924 -1.504 -1.366 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 -20.481 9.586 -23.406 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 3.349 22.957 4.805 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 -7.137 1.311 -0.006 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 0.693 -2.601 -16.484 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 4.733 -1.584 -18.215 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 -6.479 -2.145 4.614 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 -11.630 -7.409 -4.764 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 -3.175 -4.746 14.702 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 -0.858 1.322 -3.255 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 -11.015 -1.583 -9.434 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 -5.467 -3.267 -4.653 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 -2.079 3.181 0.087 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 8.155 15.182 -8.076 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 9.717 -0.912 14.151 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 1.328 -0.426 -6.089 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 -16.838 2.856 -12.269 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 31.270 0.474 -9.536 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 -0.786 -2.793 7.854 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 -9.353 3.830 -6.265 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 1.916 -6.305 4.309 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 4.019 -1.934 4.213 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 -5.314 -1.531 6.215 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 3.431 1.446 -2.810 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 -1.866 -9.258 -5.745 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 2.189 -9.552 -37.385 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 28.151 -7.556 7.418 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 -1.155 0.008 -5.124 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 6.614 -17.749 6.711 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 -1.518 3.001 -8.222 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 2.189 0.989 2.008 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 2.446 17.197 -26.866 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 1.836 -12.027 25.373 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 -0.000 -0.291 2.285 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 5.899 -21.940 -10.721 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 1.690 -3.235 3.349 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 -7.734 5.234 0.872 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 -10.159 6.685 2.305 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 -1.196 -3.056 2.598 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 0.570 -0.799 -3.041 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 4.894 -7.665 8.262 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 -7.947 -4.810 -2.542 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 -4.712 2.113 -0.501 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 -4.280 -23.414 5.856 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 -34.856 5.127 -30.319 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 -5.462 1.261 3.337 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 6.599 -1.227 5.563 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 -0.776 3.486 -3.792 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 -2.706 -0.348 -0.571 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 5.353 -2.449 7.812 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 4.916 -1.779 6.782 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 0.499 -0.002 -1.947 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 15.880 5.426 22.905 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 -9.285 -35.659 -27.827 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 3.238 -0.338 1.055 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 -5.610 9.441 -1.176 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 -0.451 25.853 -22.528 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 1.927 2.564 -3.260 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 33.500 12.704 9.015 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 -17.096 -3.185 -1.171 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 -0.187 3.993 3.617 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 8.451 -1.459 14.487 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 -9.318 4.245 -12.532 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 -0.820 4.057 -0.709 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 15.126 -3.170 12.285 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 -2.141 12.015 -8.117 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 -0.817 3.323 -4.045 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 8.380 13.086 -19.888 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 14.320 2.425 -13.157 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 -2.736 1.287 1.584 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 -4.794 -2.662 -4.141 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 9.256 -1.708 -6.743 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 0.461 2.406 -3.275 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 6.981 -0.355 9.515 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 -8.924 -4.173 -12.025 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 -1.958 0.127 2.989 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 4.659 -12.113 6.864 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 -5.289 4.982 -1.374 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 5.392 -2.679 -6.966 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 12.310 4.198 -4.935 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 10.575 -4.095 -1.190 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 0.146 1.665 -1.877 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 -14.893 -33.200 21.307 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 -2.338 0.964 -3.099 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 -0.163 1.932 -4.126 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 4.404 0.011 -4.852 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 7.305 -0.975 -6.033 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 -1.901 -0.064 1.243 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 1.999 -8.219 -1.193 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 21.094 24.724 -3.328 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 -1.759 -5.635 -3.804 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 15.724 -9.450 9.279 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 14.422 -7.562 15.366 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 -2.515 1.301 -4.937 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 2.992 5.401 -17.793 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 -14.484 -15.072 13.833 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 2.546 -1.952 0.226 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 -20.219 -2.919 8.049 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 6.226 -16.466 11.337 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 -1.304 -0.763 4.980 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 -12.361 -2.442 7.858 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 -25.084 6.127 -0.580 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 1.327 1.316 -0.450 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 -25.282 -36.518 -8.788 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 19.023 7.359 -4.713 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 -6.372 3.130 1.352 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 -9.869 0.908 2.679 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 20.584 20.347 -10.739 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 -0.938 8.207 5.393 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 1.799 22.370 27.485 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 0.590 12.326 3.429 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 0.314 -4.363 1.232 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 6.893 -5.727 4.795 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 2.402 2.266 -1.731 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 6.230 -6.824 -7.985 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 0.993 -12.457 -8.440 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 10.583 -4.700 -8.097 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 -7.173 0.716 -1.448 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 -8.435 9.405 -4.102 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 17.131 -1.183 -6.724 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 0.712 0.867 -3.940 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 -21.841 0.222 -10.695 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 14.269 -21.758 -17.595 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 0.882 -0.832 1.365 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 -17.596 9.307 -7.303 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 -12.491 23.036 -18.041 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 -0.165 -3.835 -1.893 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 1.586 -3.780 -7.006 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 -7.787 6.664 11.019 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 -1.643 1.835 -6.579 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 -3.368 3.436 -2.970 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 23.144 0.922 -23.908 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 4.255 4.444 -2.807 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 7.270 35.072 -28.597 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 23.856 1.600 11.684 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 -0.831 -0.730 -2.764 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 -18.549 18.985 10.419 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 -23.875 5.673 8.788 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 1.349 -4.723 3.063 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 4.814 -4.424 5.670 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 19.643 -18.346 -0.245 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 -1.892 2.382 7.425 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 4.671 4.766 0.768 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 -12.141 1.522 1.173 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 -6.452 -8.507 1.647 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 4.317 -1.546 0.457 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 -4.045 -20.451 9.895 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 -6.264 -3.049 2.509 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 -1.996 -2.366 14.349 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 -5.044 7.862 5.508 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 -2.821 0.054 1.712 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 15.522 6.325 -1.253 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 15.399 7.032 10.394 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 1.096 0.854 -2.365 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 1.598 -19.518 13.952 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 -10.945 11.844 3.808 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 0.149 1.680 -2.008 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 -10.239 -0.516 -6.327 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 -9.350 15.650 -7.468 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 2.126 2.396 0.364 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 -7.256 3.884 2.137 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 7.664 5.796 -9.268 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 2.977 0.797 -5.526 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 7.626 9.897 2.637 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 -2.316 -7.264 8.231 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 -0.373 1.109 -3.971 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 4.681 0.494 28.400 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 5.854 25.258 -6.681 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 3.190 1.962 -7.402 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 12.717 11.140 -6.920 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 -3.144 6.378 -18.230 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 -5.521 -3.471 -12.913 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 -6.626 -9.331 -15.791 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 8.646 28.157 -1.475 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 1.445 4.961 -1.249 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 2.384 6.285 1.396 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 9.885 20.151 -2.275 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 -4.772 1.646 1.008 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 -6.170 -25.028 -2.646 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 19.414 -34.038 13.197 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 -3.419 6.330 -0.364 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 10.354 6.190 16.134 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 1.672 6.218 -18.070 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 -6.031 2.506 3.323 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 -14.034 -0.527 6.475 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 -17.690 -1.632 9.558 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 -2.375 -5.360 0.770 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 4.849 -5.460 -20.206 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 9.262 11.459 5.222 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 0.055 -3.148 -1.896 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 -31.859 -1.278 13.597 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 -1.247 -16.980 3.339 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 -0.926 -4.687 -1.652 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 8.856 -12.803 6.742 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 -12.523 -0.800 -12.803 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 -2.671 -3.190 1.187 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 7.652 19.773 10.052 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 -19.313 -19.716 -9.398 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 6.645 8.355 -4.512 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 2.291 20.724 -22.914 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 9.132 8.750 -4.367 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 -1.899 -2.718 2.311 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 5.703 0.388 23.566 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 -1.060 -4.117 8.143 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 -1.228 4.117 2.851 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 -4.965 10.810 4.824 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 -21.669 -30.229 -17.665 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 -4.986 1.965 2.864 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 -12.692 -0.789 5.035 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 0.167 -6.417 2.306 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 1.185 1.929 5.055 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 -7.864 12.948 16.849 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 20.892 -3.402 -16.904 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 -3.629 0.871 -3.400 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 8.022 -12.045 -11.909 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 -0.477 -10.679 -11.175 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 -0.742 -0.447 -1.706 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 -8.254 15.436 13.534 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 -17.031 18.264 -0.768 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 -0.671 -6.071 2.842 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 4.348 10.204 24.190 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 34.832 4.245 -32.134 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 5.619 -3.586 -7.344 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 11.704 -3.597 -3.199 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 3.906 3.876 -5.538 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 7.103 -1.306 -3.898 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 16.817 9.495 17.715 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 -13.073 15.894 -11.799 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 5.919 -3.142 3.048 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 -0.331 -7.244 12.106 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 5.099 -1.123 0.990 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 -3.436 6.504 -1.286 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 -11.760 17.446 -15.950 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 5.525 -3.362 14.049 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 2.502 -0.885 4.391 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 -11.400 -1.136 -10.735 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 14.409 -16.621 -0.065 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 7.971 0.306 -1.869 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 -1.084 -9.622 -0.176 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 -3.099 -5.065 -5.851 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 -6.419 3.086 -1.691 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 -25.709 24.888 21.343 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 7.626 -13.488 9.173 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 -0.686 2.771 1.347 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 0.559 12.179 -1.839 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 -6.372 -8.874 4.407 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 -7.570 -3.967 -9.595 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 -4.690 -8.835 -20.375 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 -9.069 5.967 -15.627 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 4.364 2.678 0.749 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 3.481 22.392 4.014 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 -9.210 -15.298 -29.633 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 -5.235 1.129 4.018 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 1.876 18.836 12.744 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 15.134 -24.085 -3.514 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 1.749 4.572 -2.405 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 23.236 -4.773 -20.671 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 -8.417 9.107 6.032 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 -1.187 -2.288 -4.174 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 5.359 -0.713 -14.715 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 4.186 1.672 3.409 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 -3.613 -1.481 -6.044 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 -11.061 -8.669 8.814 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 -8.297 -5.914 3.380 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 2.748 -2.304 4.272 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 2.442 -15.210 12.956 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 24.823 -4.844 -3.219 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 -1.382 1.002 -6.453 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 4.892 -11.532 -12.642 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 5.377 38.101 5.570 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 -0.716 8.585 -3.031 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 5.938 -7.116 -3.775 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 -2.560 13.744 -2.263 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 2.917 0.897 4.341 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 13.593 -2.438 5.364 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 -2.651 1.892 6.584 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 1.386 -3.631 -5.244 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 -14.407 3.771 -12.147 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 -0.755 2.481 3.829 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 4.252 -5.454 -0.257 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 -3.915 -19.661 7.088 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 14.311 -14.398 -28.724 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 -0.727 -3.424 0.478 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 1.572 -14.225 7.462 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 -13.003 -1.996 1.818 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 -3.544 0.783 5.973 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 17.124 17.680 13.224 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 -6.310 -5.772 5.762 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 5.601 1.689 7.035 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 8.000 8.885 33.678 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 -4.139 10.983 14.401 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 6.560 -1.733 -6.066 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 22.763 -1.557 3.179 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 -15.462 17.413 -1.419 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 0.513 -0.550 -0.178 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 -9.120 20.232 1.557 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 3.405 -16.707 -5.676 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 3.304 -1.177 1.756 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 -1.626 -2.697 0.488 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 -12.181 8.875 -13.643 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 0.134 -4.290 -1.214 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 10.394 5.551 -19.633 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 -20.264 -4.255 3.969 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 -4.570 -3.086 2.907 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 9.109 13.040 -10.258 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 8.948 -2.685 9.215 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 1.503 -0.551 -2.345 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 9.499 -2.058 21.639 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 -3.380 1.439 -2.119 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 -1.098 0.435 4.641 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 -31.081 12.904 -4.090 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 -16.153 5.199 1.838 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 -8.554 -1.890 0.820 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 0.093 -3.135 16.979 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 -3.350 3.509 -19.523 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 1.214 3.233 -4.015 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 5.210 -27.362 -22.202 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 0.570 14.907 3.579 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 6.064 1.615 -1.820 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 -4.064 15.893 -12.856 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 22.762 -3.723 21.413 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 3.265 -4.168 1.485 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 -9.759 -3.702 1.401 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 -5.249 -13.325 -1.041 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 -5.297 -3.246 2.089 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 -0.178 -13.672 -5.987 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 -14.133 1.322 9.546 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 -5.503 -0.562 5.753 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 -21.684 4.058 -2.966 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 12.107 4.794 -2.411 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 -0.329 -1.311 7.181 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 6.614 2.439 5.201 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 0.771 -5.268 9.900 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 -5.209 -2.399 0.918 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 -5.899 -2.098 0.233 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 -8.820 12.543 -25.121 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 -6.672 -2.057 -2.652 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 -0.869 -12.677 -7.299 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 -5.203 -1.467 -1.490 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 -4.123 0.931 4.228 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 0.036 -1.868 9.445 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 -15.739 -3.101 -2.463 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 -2.559 -1.170 -0.315 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 3.866 2.321 10.080 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 -7.772 -4.684 5.048 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 -6.637 0.157 5.431 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 -22.884 -3.352 13.801 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 5.835 19.821 10.656 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 -2.416 -4.925 3.863 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 -0.565 -16.219 -15.751 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 12.510 20.969 -4.945 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 4.668 -0.154 2.228 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 3.310 -0.261 -4.308 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 4.559 -1.449 9.928 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 1.471 -3.390 3.312 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 -10.721 -2.330 4.364 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 12.582 -3.055 1.008 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 -2.605 -1.409 2.632 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 -2.469 18.559 5.306 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 -7.286 -14.901 -0.053 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 2.999 -3.035 0.680 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 -4.620 -2.162 -7.806 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 9.581 -2.547 7.846 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 3.589 1.131 4.065 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 2.929 -3.717 17.352 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 4.818 4.969 -6.910 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 2.118 -5.313 1.691 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 12.210 3.169 12.512 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 -3.644 -1.912 -6.798 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 -1.153 4.195 3.354 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 -3.424 -2.519 3.322 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 -17.818 13.311 2.796 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 -12.044 3.925 -5.508 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 -4.463 9.019 -15.998 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 -5.338 -8.202 -2.721 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 -5.841 -7.811 2.194 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 -13.956 -3.795 7.847 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 -12.901 -11.151 8.190 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 -7.478 -2.336 -3.938 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 9.254 9.565 -6.112 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 -4.744 -1.750 -2.151 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 1.609 10.636 -2.415 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 3.995 10.124 -5.810 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 10.645 10.391 -7.241 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 -1.087 -1.640 -3.774 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 2.499 0.888 -7.043 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 14.390 -9.953 6.878 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 -2.172 0.662 5.943 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 5.150 -11.549 13.019 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 -5.280 3.392 -5.020 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 1.907 0.612 -7.004 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 15.436 5.102 -7.225 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 -25.576 -6.013 -20.255 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 -8.490 3.291 -5.057 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 -7.863 3.142 -4.772 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 -15.364 3.476 -14.873 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 -5.083 2.806 -0.671 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 -11.013 6.504 -0.753 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 2.509 -1.758 -0.715 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 4.624 -2.985 -9.509 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 -5.141 -21.230 -12.530 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 7.951 9.781 -3.909 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 -0.952 4.116 -1.295 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 -0.245 9.016 8.775 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 -5.783 -6.264 16.881 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 1.344 -1.591 1.355 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 0.340 2.520 23.936 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 3.790 0.974 14.971 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 0.904 2.787 2.709 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 3.509 15.576 9.763 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 7.855 30.760 12.584 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 4.428 5.107 1.797 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 -11.799 11.537 -7.853 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 -17.600 7.545 -11.125 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 -2.463 -10.091 4.201 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 -8.086 -0.097 15.788 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 -5.486 -28.699 5.499 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 -5.589 -1.435 -0.827 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 12.237 -0.923 2.793 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 -4.713 9.137 -4.998 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 4.258 4.071 -2.947 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 2.132 2.521 -10.680 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 6.981 0.737 -9.722 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 -1.735 -3.722 -0.113 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 6.742 1.711 -6.865 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 0.385 13.677 -9.307 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 0.707 0.907 -6.815 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 3.555 -5.233 -6.105 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 -4.681 4.721 -12.869 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 4.222 -1.681 0.553 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 11.865 -3.167 3.744 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 0.246 -35.456 -10.010 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 -3.854 -0.040 1.308 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 -21.855 15.568 20.311 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 27.781 -25.262 -2.573 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 3.885 2.100 3.400 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 -16.517 -2.151 -3.084 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 7.241 17.111 32.977 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 -1.185 3.836 6.045 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 18.209 -5.844 -3.954 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 12.674 -7.578 0.591 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 0.472 0.291 8.600 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 -1.066 -0.536 7.657 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 0.010 1.833 8.213 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 0.514 0.715 -1.177 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 -0.502 7.862 -14.285 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 -9.751 -11.866 -3.394 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 0.704 -6.607 2.326 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 -23.212 25.475 -6.828 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 -3.236 -0.101 1.616 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 -0.143 -1.186 2.668 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 -14.809 -1.419 34.549 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 -53.993 21.087 9.442 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 -7.414 3.783 0.943 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 -31.158 -3.030 -13.131 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 4.909 0.424 12.927 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 -0.052 -1.554 6.922 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 7.246 9.397 6.444 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 7.830 10.717 6.743 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 1.922 0.006 0.260 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 13.981 10.063 19.843 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 10.631 1.496 -1.707 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 -1.524 0.148 -1.380 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 10.106 18.378 21.985 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 -5.239 16.930 -19.760 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 -4.127 -8.125 7.538 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 -10.704 -23.157 23.636 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 15.251 3.173 17.496 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 8.235 1.137 -5.202 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 8.289 1.064 -3.836 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 6.910 14.414 -4.218 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 3.216 2.592 -5.288 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 -5.606 20.045 3.152 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 -2.049 -8.958 -13.662 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 -1.835 3.598 -6.590 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 -8.518 29.773 -15.732 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 8.521 -22.132 8.433 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 5.919 -1.675 -2.572 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 -1.528 17.645 15.428 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 -1.214 28.279 -20.329 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 -8.006 5.475 -1.738 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 2.554 -4.954 3.542 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 1.733 3.724 2.658 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 2.482 3.952 -1.914 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 -1.103 -10.618 0.426 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 -20.277 5.459 0.189 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 4.074 -3.369 -4.285 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 13.982 26.697 6.465 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 -11.355 27.996 -21.231 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 0.933 -1.850 -1.850 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 3.178 -0.893 9.602 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 -7.497 -8.851 -2.771 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 0.877 0.384 8.368 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 0.072 12.040 -1.993 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 -17.398 -9.122 13.396 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 -2.990 4.495 -1.259 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 12.495 7.898 13.070 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 -16.523 18.424 9.697 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 -6.594 -0.812 -4.615 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 -2.494 -3.284 -15.849 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 -9.875 2.461 8.377 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 -1.723 1.802 3.162 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 -15.427 1.562 11.377 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 -34.202 -25.437 5.632 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 0.639 4.197 0.757 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 -13.448 28.492 -7.594 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 24.419 -18.977 -34.515 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 -5.595 -3.360 7.472 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 2.897 0.086 4.643 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 1.242 -19.205 0.505 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 2.225 0.470 7.436 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 -8.904 22.306 3.640 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 -5.619 -2.334 -20.668 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 -3.514 -0.428 -3.824 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 -2.497 -8.854 12.495 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 5.664 -18.278 -24.657 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 -1.681 -0.161 -3.048 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 -4.519 6.201 -10.592 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 -3.654 15.484 -21.914 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 -2.289 -5.132 -3.107 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 -1.179 12.430 5.210 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 -2.067 -8.628 -5.246 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 -5.108 4.795 9.422 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 -9.397 0.202 20.826 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 1.822 -3.099 -26.814 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 1.104 3.174 0.057 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 -14.014 8.393 3.771 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 10.439 3.966 14.382 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 -3.000 -8.823 -4.317 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 -13.247 4.511 -2.533 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 12.881 -3.064 -6.814 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 -2.846 3.249 0.891 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 0.173 -9.709 -11.788 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 -12.649 3.631 3.093 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 4.668 -4.960 -3.903 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 2.579 5.302 7.927 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 -6.934 -6.215 -2.792 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 1.581 -0.218 -0.736 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 -7.407 6.485 3.800 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 8.367 -8.000 3.059 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 -1.067 3.207 1.618 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 5.430 9.548 -2.600 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 -0.022 7.421 9.670 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 0.448 2.831 -5.688 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 10.934 0.845 9.500 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 -3.621 2.554 -21.600 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 -1.995 2.843 0.204 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 4.228 4.829 -1.895 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 -0.942 -3.489 -0.811 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 4.364 0.602 -0.654 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 -5.747 1.794 -7.082 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 -9.131 5.968 -6.455 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 5.032 1.460 4.622 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 7.100 11.018 28.647 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 -7.647 9.708 -3.649 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 5.481 -5.653 0.170 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 -5.423 -30.529 13.753 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 17.031 14.545 10.206 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 -8.187 -3.482 -2.953 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 -13.158 16.671 1.716 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 -2.294 -16.485 -15.647 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 1.893 -2.170 -0.371 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 -0.681 -2.528 -9.482 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 8.641 -10.917 22.135 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 -2.844 1.218 -1.946 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 -36.359 5.964 -1.940 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 -16.465 -3.551 -5.989 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 -4.475 -2.019 1.142 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 14.145 14.956 -2.925 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 -9.414 -12.728 -13.445 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 -2.719 -1.557 -3.168 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 -14.170 0.421 -6.560 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 -0.377 2.700 3.802 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 3.759 1.710 -3.046 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 -22.852 10.308 -2.402 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 -8.192 -5.785 5.884 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 1.488 0.209 -5.096 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 -4.226 7.171 -1.440 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 14.223 -7.420 -5.789 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 -0.721 -1.059 -0.588 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 -8.435 -11.925 17.063 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 23.044 5.858 2.438 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 -0.278 -3.516 -1.110 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 -4.009 -2.975 -0.674 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 0.195 0.789 1.060 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 4.376 -1.063 -3.448 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 13.877 7.375 0.288 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 -7.439 3.807 -12.537 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 -1.131 5.870 3.635 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 -9.144 5.379 -4.335 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 -1.504 -1.543 -12.544 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 3.656 3.861 -3.183 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 11.759 -33.085 1.882 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 7.006 1.852 0.413 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 -1.523 2.216 2.390 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 -4.868 6.859 -0.645 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 8.168 16.287 -9.324 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 -2.090 -3.889 -3.674 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 9.087 -1.436 -4.916 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 -5.833 -3.189 -3.549 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 4.907 -1.675 -4.896 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 -1.560 -7.925 2.216 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 10.805 12.079 -9.415 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 -3.832 3.259 -3.396 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 0.313 14.053 0.679 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 -17.140 21.433 5.937 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 4.208 -3.251 4.948 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 -0.318 4.683 17.939 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 9.972 4.563 4.841 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 1.193 -2.797 -11.090 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 2.025 -4.278 -15.871 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 -2.355 6.035 15.657 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 -1.468 1.384 -2.282 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 6.830 -6.210 1.145 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 -1.383 -2.569 -9.016 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 -4.707 -5.910 0.576 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 10.467 -5.329 -5.644 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 7.838 -9.151 4.645 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 -0.245 0.354 1.850 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 0.676 -9.707 9.365 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 -15.198 -2.463 -10.666 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 -0.838 2.258 -4.611 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 -4.078 -2.024 4.105 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 -6.324 9.134 -9.146 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 -3.105 -6.310 4.879 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 -10.557 -1.329 5.882 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 10.712 -2.638 6.323 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 2.381 -6.280 -6.334 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 -19.101 9.137 -7.250 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 -2.758 -10.919 -11.807 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 3.017 -1.159 -0.065 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 -20.741 -4.744 -26.444 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 0.376 16.591 11.751 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 1.482 -0.813 -4.647 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 -3.191 -2.426 -10.165 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 1.101 -14.602 -8.246 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 -2.806 0.188 -6.497 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 1.716 13.600 -1.038 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 -6.063 -8.830 -9.779 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 -3.182 1.872 1.472 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 -0.359 -3.736 6.519 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 -14.485 4.592 11.770 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 1.832 0.790 -0.535 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 -7.013 -8.079 -2.090 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 11.233 -5.868 -22.639 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 -5.123 -2.368 7.679 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 -6.806 -7.676 13.662 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 -1.685 -4.523 -21.264 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 -4.726 -2.740 1.969 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 3.613 -17.422 -17.938 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 6.430 25.474 -6.530 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 3.217 -2.268 3.776 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 4.438 -1.286 0.179 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 -1.785 -6.327 18.579 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 -6.985 5.698 -0.011 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 -9.086 -12.782 8.218 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 -12.131 17.876 3.953 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 0.783 -2.692 0.476 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 5.565 -13.434 -6.140 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 4.338 1.394 -10.373 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 0.593 0.704 -1.661 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 1.710 0.185 6.387 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 7.070 -7.864 23.344 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 0.098 1.681 8.367 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 -4.748 4.193 -10.118 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 -3.628 -16.640 14.963 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 -1.097 3.965 3.459 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 -9.033 13.368 14.601 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 -9.051 7.578 -10.961 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 1.000 1.164 -3.973 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 13.448 14.764 9.184 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 -8.308 -0.597 10.649 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 2.592 0.411 3.459 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 -13.302 6.545 17.128 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 1.250 -21.692 3.570 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 0.448 0.447 -10.199 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 -6.765 -0.816 -5.353 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 25.525 -1.658 -5.916 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 2.357 3.800 1.083 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 6.550 7.234 -2.928 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 -2.916 1.225 10.505 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 1.260 0.843 6.270 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 -4.913 15.506 -8.815 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 15.496 9.958 6.226 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 4.229 4.084 -1.017 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 5.615 5.463 9.928 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 9.236 -1.740 -9.461 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 1.464 -1.716 6.447 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 -4.883 2.763 0.562 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 7.381 -0.635 2.223 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 1.927 5.003 5.005 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 2.359 -10.227 -3.208 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 -11.503 3.348 -6.357 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 -3.649 3.792 1.854 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 7.943 -7.511 0.530 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 -9.453 -4.344 -2.389 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 2.815 -3.274 0.324 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 13.853 -4.763 4.837 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 1.656 5.493 -12.967 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 -1.107 -2.911 -1.108 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 29.666 4.446 21.739 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 -19.108 -10.430 -16.733 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 2.544 1.127 2.757 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 17.323 -1.327 1.194 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 -9.164 0.440 8.884 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 -2.790 6.856 -2.486 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 -10.901 5.044 5.944 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 16.181 -6.056 1.350 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 -3.793 2.659 4.520 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 23.510 -6.099 5.019 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 -4.973 5.930 -1.633 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 -2.926 -1.812 -2.357 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 18.643 14.844 -0.042 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 -10.871 12.731 -7.668 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 5.712 2.856 -0.478 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 -6.223 2.485 -17.295 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 10.418 -2.234 7.672 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 0.854 -5.904 3.582 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 -17.437 -36.943 4.840 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 1.581 -1.516 2.845 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 6.726 6.371 -3.913 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 6.141 9.554 3.556 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 8.814 -8.740 -16.776 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 -3.456 2.161 3.433 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 -1.637 -1.815 3.668 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 2.550 6.694 4.678 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 -4.570 0.371 -4.050 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 -4.775 12.765 -16.536 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 4.892 -14.720 19.520 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 -2.444 7.541 4.656 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 18.605 6.720 -14.892 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 -14.213 22.862 -9.238 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 -2.537 5.322 7.077 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 1.773 -2.196 8.213 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 6.639 -20.541 9.319 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 3.668 -4.047 0.621 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 3.555 -29.152 12.022 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 25.321 -4.359 -0.758 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 1.447 3.128 -1.360 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 -9.189 4.983 5.810 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 -18.005 2.280 -1.168 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 -5.917 1.944 1.935 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 5.647 -14.251 9.472 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 19.610 15.212 -6.287 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 1.516 -1.559 -1.895 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 -18.286 -18.761 16.857 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 -4.593 14.621 14.329 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 4.101 -2.222 -0.597 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 21.397 -18.590 -17.630 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 -30.049 -10.664 26.725 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 1.257 -1.795 -4.582 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 4.784 10.451 25.378 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 1.522 8.191 -2.716 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 0.208 -3.172 -2.405 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 16.666 -5.855 2.715 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 -23.069 -16.504 -6.881 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 -2.724 3.829 -0.170 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 -0.905 -5.038 24.768 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 -10.720 0.116 -2.878 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 -4.203 0.773 0.040 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 -3.006 -0.711 -12.643 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 8.671 -1.609 -2.170 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 0.665 -2.608 -1.977 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 -17.934 -6.118 1.107 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 4.783 9.552 14.138 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 -2.970 5.580 4.942 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 -3.956 8.060 0.672 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 -0.696 4.813 3.178 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 0.705 5.247 -2.026 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 0.095 1.681 -2.642 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 -5.301 -2.530 10.463 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 5.652 2.271 2.511 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 17.916 22.270 -4.854 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 8.882 -1.166 18.372 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 -1.282 -2.294 0.282 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 14.198 4.202 -3.599 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 -6.379 6.477 7.627 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 3.587 0.488 2.725 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 4.142 15.053 -12.743 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 7.750 -0.792 4.881 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 5.655 2.642 1.766 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 -19.376 4.459 -12.148 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 6.370 2.300 1.290 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 -5.595 12.808 0.193 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 -6.478 -18.425 -3.141 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 -25.916 17.969 -8.621 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 2.803 1.193 -0.863 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 13.135 -21.785 1.488 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 -1.586 9.470 -1.568 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 -1.213 2.777 -6.431 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 0.768 0.351 -5.037 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 2.393 -5.168 -1.163 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 -2.969 -6.043 2.136 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 -12.697 2.065 -14.612 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 -3.166 -5.132 4.612 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 -2.320 -1.323 0.834 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 1.715 0.425 6.664 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 12.256 5.274 13.999 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 -0.183 1.793 1.938 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 -4.422 -6.067 5.140 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 4.522 3.097 5.390 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 1.191 -2.536 -0.047 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 2.720 0.349 4.820 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 -20.920 2.039 -6.269 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 -3.588 4.988 -1.057 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 -1.617 9.837 -1.414 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 -3.331 -0.200 -1.524 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 3.328 7.022 1.396 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 -13.774 2.237 -1.983 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 2.723 17.361 15.074 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 -0.346 3.986 7.210 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 -21.118 17.470 -12.561 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 18.997 23.157 1.726 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 -7.093 0.779 -4.330 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 -6.397 0.611 -4.748 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 -29.543 1.547 -14.967 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 2.928 8.086 -2.775 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 -8.665 2.600 0.549 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 -11.138 5.966 -12.783 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 -2.867 3.094 2.711 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 10.677 -29.425 -0.639 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 3.239 1.460 1.454 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 -0.343 5.745 2.918 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 2.576 3.586 5.685 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 8.039 -20.521 13.335 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 2.838 4.723 0.177 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 -8.473 -4.589 10.962 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 17.267 -9.003 -0.440 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 -4.190 2.518 0.010 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 -10.383 -7.063 9.914 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 -10.512 -1.176 -11.811 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 -1.845 -1.964 0.964 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 -10.405 -7.126 12.995 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 12.339 -20.607 -5.590 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 2.333 -1.328 -2.920 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 -6.242 9.888 -18.801 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 -3.940 3.279 -21.649 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 4.093 5.020 2.736 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 -4.199 14.901 15.179 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 3.304 -1.493 -7.969 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 -1.254 -3.612 9.009 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 17.595 0.977 6.524 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 -13.901 -4.056 -5.172 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 -1.176 0.282 2.888 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 4.703 9.506 -6.728 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 -15.494 -1.526 9.872 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 0.137 -10.620 10.394 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 14.285 19.414 7.476 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 -14.193 26.081 6.747 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 -0.886 7.662 -1.725 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 -2.201 5.951 -1.202 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 -4.962 8.985 -5.973 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 -3.225 3.402 -0.075 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 -7.971 -7.902 11.940 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 9.669 -23.497 10.210 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 -3.406 5.087 -6.677 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 -22.156 -8.386 -9.909 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 -2.083 -0.237 0.256 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 -4.446 3.703 1.101 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 -4.061 -5.086 -12.174 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 11.400 5.174 7.191 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 2.750 1.263 5.869 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 2.337 -3.546 15.998 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 1.458 -3.057 -3.821 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 -2.826 3.992 3.867 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 0.160 -7.897 -11.354 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 4.237 -10.631 -19.620 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 -1.849 5.991 0.692 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 0.446 -6.764 -3.405 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 -0.687 5.787 -6.581 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 -1.777 -0.445 -2.660 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 -22.102 -0.995 -0.110 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 12.557 23.496 1.051 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 -3.437 -9.707 -1.813 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 -1.530 -13.450 1.904 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 -2.377 3.059 -11.067 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 -0.452 -5.917 -7.094 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 -11.835 17.310 -17.878 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 5.438 -10.436 0.420 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 0.648 -9.565 -1.861 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 1.122 -9.329 -1.276 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 6.874 2.170 -7.072 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 0.820 0.455 -6.901 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 -4.116 4.220 -2.041 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 5.748 4.038 -8.862 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 3.570 3.123 -3.135 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 5.573 -6.464 -2.247 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 2.735 -12.647 5.741 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 -3.160 -0.842 0.670 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 -1.948 -11.714 -13.139 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 -11.350 -12.725 -26.425 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 0.937 -0.161 -4.286 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 -1.538 16.992 -8.613 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 -12.209 8.363 13.879 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 -2.504 -9.958 -2.423 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 13.134 5.392 -28.669 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 8.771 -9.643 13.836 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 -3.746 -1.238 -1.679 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 -8.110 -2.415 11.868 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 -12.303 0.507 -9.527 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 -0.234 5.101 7.868 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 -15.328 -12.207 8.913 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 0.237 4.960 -0.780 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 -1.974 1.319 0.732 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 20.619 -11.359 11.596 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 4.869 -41.693 13.546 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 -4.281 -4.801 -2.048 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 -22.201 -4.116 -1.210 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 0.721 -1.193 12.238 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 1.774 3.170 -2.413 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 14.385 11.419 -8.539 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 26.260 -3.573 7.860 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 -2.132 1.245 4.393 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 4.767 -7.209 14.186 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 -2.909 1.731 3.567 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 2.764 -2.560 0.867 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 -6.983 17.489 -0.390 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 10.454 -3.409 -12.897 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 0.675 -0.909 7.376 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 6.621 -0.146 3.166 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 -3.820 10.852 -3.448 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 1.871 -8.686 -3.936 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 3.300 3.150 4.746 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 7.563 -13.445 8.683 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 -6.802 -6.385 -4.116 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 -12.867 -3.411 -26.452 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 -15.520 -20.851 19.963 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 -4.017 3.694 1.239 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 -22.156 0.906 25.968 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 -7.899 19.584 -16.409 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 -4.196 -5.429 3.276 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 -9.864 -4.546 10.941 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 -4.220 3.527 -3.378 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 -2.043 3.172 -0.415 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 5.508 -9.572 -14.812 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 -24.532 -14.399 -13.902 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 -5.722 2.718 1.932 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 -11.255 -7.222 3.393 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 -8.106 16.702 1.713 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 -5.636 -3.132 -3.601 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 -12.306 1.541 16.560 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 -20.557 -4.680 -9.473 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 2.718 -3.977 1.561 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 -3.526 -6.767 -15.233 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 11.030 1.712 22.048 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 2.303 1.147 -0.559 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 3.146 2.626 1.482 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 2.714 14.435 11.304 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 1.829 6.547 3.897 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 -2.228 6.564 10.918 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 3.579 11.576 2.025 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 1.179 -1.991 -1.225 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 0.306 12.055 4.860 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 4.355 -7.111 -7.262 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 -0.033 0.412 1.307 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 -7.527 -6.254 4.442 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 4.673 6.735 15.581 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 -5.810 1.903 1.329 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 -16.318 6.544 2.840 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 0.498 0.688 4.322 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 -1.882 2.576 3.243 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 1.918 8.929 -6.186 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 -13.245 11.592 11.708 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 4.217 -0.940 -2.409 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 -9.028 -8.668 -6.992 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 5.119 -15.293 -4.367 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 -6.551 -5.093 -1.334 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 -18.507 14.964 15.317 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 24.228 5.674 8.899 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 5.876 3.718 0.694 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 -16.342 -14.162 -20.728 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 18.986 22.024 -4.068 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 -1.155 -0.777 0.007 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 -10.113 -2.712 -21.066 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 9.696 -23.094 21.167 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 -3.084 -6.642 5.393 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 -7.230 -7.131 -13.123 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 -0.980 3.129 0.686 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 3.856 -2.847 -3.414 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 3.198 19.861 1.986 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 8.843 -7.267 -25.300 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 3.206 -4.006 -0.946 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 14.382 -20.516 -6.760 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 -0.809 -41.896 -12.552 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 4.723 -4.951 2.863 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 9.098 -5.913 0.502 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 6.093 -3.761 1.272 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 -1.372 -4.635 -4.302 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 11.363 -1.099 -2.466 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 -6.846 -0.247 6.248 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 -3.924 -3.185 2.939 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 -6.473 -19.308 14.569 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 0.299 2.295 2.689 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 -5.472 0.968 -2.061 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 18.806 -10.113 4.661 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 -10.764 16.794 12.559 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 -1.587 -0.280 0.216 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 -9.663 14.609 -2.581 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 -10.189 18.802 -3.004 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 2.547 3.727 1.117 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 -11.001 -25.678 3.349 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 27.303 1.884 20.683 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 -3.635 1.042 -8.834 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 -15.409 14.467 -5.577 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 0.775 -19.407 13.096 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 1.267 -4.712 -2.483 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 -0.843 19.425 22.989 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 -20.260 -11.998 -5.061 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 5.027 3.093 7.564 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 -2.860 -0.942 9.183 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 17.959 24.395 4.919 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 -1.617 -1.479 -3.683 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 6.609 10.847 -11.291 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 -5.900 3.097 -9.247 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 0.520 4.798 2.337 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 -21.704 8.152 -9.349 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 -1.872 12.614 -14.282 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 -1.993 4.233 -2.970 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 -22.316 8.109 -3.043 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 -11.436 -14.174 -9.316 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 -2.972 1.009 2.078 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 10.866 -3.761 7.547 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 2.214 -0.272 5.476 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 6.694 4.792 0.084 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 -8.630 -7.947 -9.240 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 -17.527 -13.036 6.993 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 3.773 0.517 -3.972 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 -12.021 -12.773 8.358 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 -2.434 0.723 -8.206 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 -1.708 -4.974 4.070 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 13.405 2.254 3.597 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 -18.738 -1.882 11.790 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 -0.983 -4.933 -3.018 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 -5.485 -20.971 -1.684 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 16.392 2.792 -5.852 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 -5.282 -4.410 2.548 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 6.463 1.876 7.748 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 -8.007 1.137 -1.856 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 -0.454 6.576 -2.065 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 -4.057 0.377 -3.926 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 12.372 1.606 8.596 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 -4.585 -2.135 -1.727 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 6.285 4.279 2.194 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 -14.872 1.922 -10.952 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 -0.103 1.931 2.604 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 10.300 -13.255 14.944 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 1.675 1.544 17.715 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 -1.486 -2.504 -1.429 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 -7.013 -28.427 -8.305 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 -4.331 6.030 9.329 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 2.042 -3.682 2.967 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 3.495 -2.724 -2.435 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 4.319 2.213 3.413 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 3.800 1.412 -4.612 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 -1.826 4.785 -14.329 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 1.311 16.752 -1.204 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 4.257 6.195 -4.446 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 1.309 4.526 -4.552 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 -30.870 -17.411 3.373 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 -1.159 3.768 5.271 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 -6.502 23.754 18.767 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 -10.659 1.786 -1.784 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 -0.654 -5.919 -1.850 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 14.396 -5.646 -8.361 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 -10.924 -6.033 -14.198 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 2.391 -3.316 5.206 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 1.250 -5.021 7.092 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 0.859 -8.327 12.026 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 -2.076 -11.525 0.903 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 -1.377 -18.102 -0.701 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 4.988 -3.159 4.582 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 -2.231 0.348 7.412 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 -6.798 -7.035 -5.208 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 -2.387 4.684 14.014 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 6.793 -2.647 4.581 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 -4.776 -8.843 -3.587 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 7.929 11.645 -3.355 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 1.836 2.033 -0.101 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 -15.016 -5.676 4.628 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 15.408 -18.431 -9.579 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 -1.710 -3.735 -3.607 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 -1.124 -12.828 -1.637 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 8.955 0.764 -0.980 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 2.327 -1.437 1.988 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 23.102 -4.174 15.893 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 1.847 -13.707 0.731 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 6.229 -3.809 -2.648 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 -7.117 -18.297 -3.301 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 -1.965 -14.608 23.594 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 6.060 1.594 -2.611 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 -14.325 -8.266 -5.269 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 14.349 -0.435 8.864 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 0.941 -6.098 -7.883 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 -2.903 -2.085 3.930 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 -0.961 13.196 -11.473 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 -0.706 3.371 -2.803 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 8.560 0.472 -3.695 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 4.252 5.102 0.909 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 -3.562 -1.224 2.411 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 3.884 1.651 9.143 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 6.875 -11.190 -0.196 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 1.971 -9.961 0.535 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 -18.895 -11.071 1.364 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 18.095 -1.562 0.551 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 -1.115 0.333 11.674 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 2.276 5.171 17.049 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 -17.197 -7.398 8.202 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 1.933 -4.757 3.726 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 -13.488 3.163 10.803 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 5.712 -11.825 4.827 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 -4.125 -0.830 -1.858 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 -9.353 0.634 0.910 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 -5.239 2.779 2.381 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 5.299 -2.833 8.500 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 -6.703 3.887 3.222 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 2.671 -6.429 7.439 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 -2.645 2.629 -3.034 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 -30.011 -18.616 -2.340 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 2.796 4.838 0.054 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 0.588 4.476 -2.871 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 -35.722 -10.186 -28.437 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 -2.108 21.910 -13.224 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 0.009 -6.941 4.308 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 2.655 -3.666 -2.379 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 -7.419 5.622 3.368 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 -6.555 -3.833 2.286 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 -11.651 -4.633 13.436 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 4.965 -4.592 1.652 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 -1.012 4.761 -0.127 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 -1.084 -1.748 0.542 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 12.628 2.554 14.841 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 0.014 -0.225 -1.967 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 -6.351 -0.352 2.804 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 -2.019 -10.182 -3.644 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 1.289 4.889 -0.406 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 12.408 -15.075 4.548 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 20.868 -42.717 -6.541 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 -7.277 -1.074 -7.009 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 3.482 4.146 -2.746 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 -1.730 -12.038 -7.476 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 -2.785 4.388 6.326 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 1.718 4.863 -0.860 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 -13.384 -17.168 1.627 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 -4.964 -8.960 0.150 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 -20.480 -10.718 3.350 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 -8.283 7.360 -11.231 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 1.285 6.104 0.656 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 -6.438 2.180 -41.810 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 -6.750 -0.426 -32.522 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 -7.054 -4.067 2.325 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 -10.455 5.230 -8.108 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 -5.667 -13.248 13.909 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 6.591 4.134 2.866 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 1.643 -13.941 -22.067 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 15.071 13.878 -3.256 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 4.037 -3.987 -4.606 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 3.025 13.183 -14.651 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 5.855 -8.680 -7.631 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 9.533 3.991 1.154 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 9.053 6.556 14.010 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 -17.385 2.976 26.907 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 2.178 4.307 -1.285 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 23.412 -4.764 -0.764 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 -3.406 11.890 14.535 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 -2.895 6.005 -2.064 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 -5.358 7.605 -17.213 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 -5.419 8.867 4.287 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 -8.547 -4.473 -2.281 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 -18.569 15.970 15.300 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 -16.168 8.688 6.952 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 6.193 -2.752 -3.476 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 -1.740 7.325 -11.127 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 -1.863 -14.125 -6.877 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 -6.887 4.459 -5.164 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 -8.177 -15.761 -22.185 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 -18.465 15.333 -1.217 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 1.387 4.110 0.692 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 14.186 10.980 -0.867 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 -0.830 -11.192 -4.068 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 -2.663 4.123 3.149 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 -4.730 13.973 1.858 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 -1.221 -1.815 -2.026 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 -1.613 4.674 5.303 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 27.603 0.383 12.028 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 1.516 -11.029 1.692 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 -7.742 3.356 2.315 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 5.656 36.793 3.604 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 -42.278 -0.151 5.845 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 -1.292 -1.671 -2.087 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 5.489 -1.510 3.442 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 6.989 -1.883 -1.578 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 4.506 -0.655 -1.670 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 13.910 1.344 10.062 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 -9.886 -1.947 1.550 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 -6.265 2.857 -0.827 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 -11.393 -2.138 1.261 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 -3.280 8.096 3.246 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 0.710 0.817 -5.498 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 5.362 -3.458 1.309 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 -0.557 -2.315 -13.702 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 -8.378 -4.348 -9.427 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 10.473 9.522 13.939 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 -36.238 -4.843 1.693 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -2.106 -3.033 -0.692 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 -8.655 6.194 -2.309 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 -1.011 -5.702 -1.213 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 2.749 -2.353 2.753 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 1.839 8.781 8.486 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 13.140 -25.971 -8.664 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 -9.219 -2.660 -2.498 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 7.938 13.016 -15.141 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 -1.975 19.549 -5.824 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 -2.266 2.445 -1.124 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 3.760 4.755 -11.043 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 3.953 7.353 7.582 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 3.162 -0.781 -1.632 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 -2.850 -5.232 -4.347 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 -0.946 -0.855 17.709 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 -3.356 4.929 -2.345 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 -6.526 25.916 5.910 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 26.358 9.855 6.895 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 -3.951 1.094 -5.161 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 0.122 10.943 17.259 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 -12.151 19.799 -15.910 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 7.924 1.808 -1.844 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 5.857 8.030 12.980 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 -10.221 7.414 24.350 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 -3.546 0.583 3.582 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 7.032 -25.529 -1.542 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 -6.139 -2.760 24.166 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 -4.827 0.747 8.050 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 -1.021 -20.766 23.493 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 10.052 7.398 -8.256 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 5.692 5.354 6.237 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 6.081 7.125 5.646 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 -8.241 -17.618 8.883 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 -7.713 1.703 -5.858 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 3.485 4.410 -20.338 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 -3.356 -6.814 -12.739 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 -2.981 0.813 -7.591 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 2.942 16.252 -27.763 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 -4.189 -22.522 -0.542 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 -4.504 1.228 -3.384 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 9.089 -4.524 -2.976 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 -8.644 -2.644 3.766 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 -0.144 0.293 -6.599 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 -5.866 6.274 -13.404 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 19.118 -6.418 -5.437 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 -1.965 -0.441 -1.897 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 -18.615 -11.868 1.036 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 -15.077 12.063 2.814 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 4.589 3.073 -0.942 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 -8.942 15.330 7.939 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 8.806 5.002 -5.388 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 -6.646 5.164 2.553 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 18.889 7.193 17.155 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 13.184 -35.275 -13.564 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 1.449 2.151 1.476 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 -0.455 -1.932 -11.143 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 -8.084 2.739 -6.452 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 -0.483 -5.359 -2.687 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 -3.814 9.829 -0.515 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 5.086 -1.779 -2.009 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 -2.397 -13.463 -0.249 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 0.462 -9.873 0.419 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 -4.487 -0.259 10.302 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 -3.228 -2.201 -0.816 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 29.651 21.290 9.955 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 20.183 12.253 5.785 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 3.550 -0.348 6.090 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 17.383 2.110 -4.564 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 10.361 -7.355 16.101 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 -2.523 0.475 3.927 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 -4.963 12.674 -8.417 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 -5.572 5.104 -21.913 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 -0.016 2.489 2.312 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 3.559 -14.923 -8.548 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 20.187 1.316 -16.132 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 -2.589 4.952 3.055 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 8.900 -6.387 -26.417 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 -33.303 -15.121 1.785 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 5.356 -3.538 1.433 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 5.391 5.211 9.034 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 -0.698 -10.883 2.477 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 -1.189 -2.543 -1.017 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 26.134 1.625 5.353 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 -0.978 -5.038 -7.730 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 -6.432 2.481 6.678 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 -16.847 -2.834 -2.984 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 12.706 -15.256 0.606 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 -1.953 1.393 -5.649 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 6.741 -4.842 4.302 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 -11.226 -6.580 0.993 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 1.433 -4.247 0.271 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 2.817 0.450 -1.402 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 -5.426 1.196 8.897 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 2.340 1.668 1.758 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 -11.831 12.933 1.966 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 5.421 -0.938 1.284 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 -4.025 -4.556 -7.963 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 2.553 22.316 -10.371 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 4.646 -12.832 14.593 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 0.658 6.135 -0.427 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 -4.343 3.362 25.266 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 -11.884 28.984 -4.611 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 3.744 7.345 -1.496 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 15.921 11.899 -25.697 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 -34.917 19.625 -10.517 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 -3.996 6.780 -8.964 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 1.588 2.451 -18.047 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 2.595 -4.976 -10.497 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 3.143 -4.749 -1.628 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 0.141 22.008 10.214 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 10.008 -4.271 3.753 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 6.953 1.582 0.013 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 -3.246 -2.763 4.675 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 5.181 3.789 8.222 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 -0.871 0.261 -4.930 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 2.788 5.433 11.489 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 2.873 -15.986 -8.862 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 -5.440 -0.223 -2.701 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 -29.231 -19.644 -19.372 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 -7.498 18.180 20.631 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 -0.719 1.872 -5.403 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 -18.625 -27.125 7.672 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 21.992 -8.972 -16.784 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 1.648 -3.043 1.448 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 1.593 -1.611 9.022 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 -2.927 9.781 43.556 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 -0.154 0.023 0.130 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 -17.796 13.574 8.853 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 -24.824 12.954 12.681 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 4.884 -1.750 -4.377 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 1.708 8.678 -12.854 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 -16.422 -8.633 31.574 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 1.707 -5.669 4.624 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 -13.525 -10.672 3.331 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 -4.118 3.111 -10.952 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 3.669 3.800 -2.530 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 -2.060 19.108 -20.013 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 9.213 -10.143 11.208 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 -0.353 1.568 5.161 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 13.737 -6.852 -7.464 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 -17.877 8.112 -11.452 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 -5.276 -7.715 6.862 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 -1.192 -2.522 19.819 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 0.112 -15.704 -18.148 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 -3.183 -4.739 3.062 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 -4.013 -15.356 6.791 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 18.041 -18.250 -12.597 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 -0.389 -0.107 5.737 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 1.737 -3.785 22.855 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 -5.318 -14.332 -2.140 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 -0.594 -3.215 2.185 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 -14.590 4.116 0.830 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 -16.796 1.568 -0.840 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 -1.845 5.848 1.486 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 1.978 -7.364 11.435 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 -6.455 6.770 -4.798 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 -0.041 -6.661 -3.597 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 -7.064 13.125 -6.325 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 -0.849 -13.252 0.695 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 7.273 -3.924 0.392 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 11.331 12.274 5.163 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 1.601 -12.271 -2.806 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 3.559 1.804 -1.578 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 5.457 7.868 0.139 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 2.792 1.631 0.289 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 -3.672 4.553 0.466 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 1.831 5.220 2.438 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 -7.303 7.478 6.253 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 4.164 -8.107 3.568 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 3.239 -23.784 -18.643 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 1.745 12.459 20.458 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 -10.169 -1.097 3.333 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 -5.626 -4.922 16.694 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 -17.292 -5.884 6.070 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 -10.155 5.201 1.521 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 -11.072 6.559 0.755 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 -19.354 42.636 -9.454 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 8.370 -5.016 1.420 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 11.523 -16.761 -3.967 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 11.521 6.981 2.749 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 -9.225 6.469 2.057 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 -28.490 -24.612 22.998 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 -8.357 10.689 -0.759 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 0.955 1.045 2.362 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 1.088 -2.801 12.454 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 -3.919 -18.264 -19.041 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 1.683 -3.891 -3.253 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 -4.444 -8.950 -17.986 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 -0.606 -21.388 -18.778 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 -0.681 -0.289 -2.124 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 -31.924 5.724 0.819 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 9.779 5.548 29.141 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 -2.807 -1.892 4.437 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 -0.697 -6.604 5.355 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 -6.977 -1.401 4.514 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 1.809 0.291 2.053 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 2.654 -0.601 -2.035 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 -0.030 21.775 7.963 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 3.064 6.380 -0.895 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 -16.024 -1.540 3.315 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 -6.847 -0.642 -0.406 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 0.523 -0.351 2.325 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 0.542 0.536 -11.222 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 9.947 -0.729 -1.642 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 0.584 -4.421 -7.069 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 10.920 -4.587 -12.389 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 0.333 -1.840 0.620 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 -3.467 2.707 0.147 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 -1.379 2.486 -10.302 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 -6.780 2.198 15.710 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 -2.926 5.922 6.567 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 4.944 1.342 8.028 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 12.622 -12.870 -0.133 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 5.395 -0.693 8.788 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 -1.381 -4.682 -5.739 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 18.533 -10.763 12.508 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 0.329 -6.223 -2.945 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 0.829 -7.295 -2.182 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 10.557 -6.815 4.051 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 2.777 -1.205 -4.653 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 14.484 14.064 -16.479 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 15.603 -7.296 2.177 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 6.398 -1.813 5.042 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 5.672 -4.161 -4.785 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 5.518 3.864 19.920 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 -4.963 3.685 -9.697 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 7.418 -14.560 -4.148 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 -3.401 18.572 -3.471 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 3.045 -2.118 -0.557 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 -10.776 7.392 15.221 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 5.359 9.169 19.812 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 1.885 -6.886 -1.473 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 -23.571 0.798 -4.591 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 -5.814 21.072 11.529 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 -1.219 -8.041 -0.257 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 -18.374 5.179 -3.152 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 1.051 12.767 -2.362 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 0.568 3.113 6.023 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 7.960 -2.958 -10.569 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 -9.881 4.666 10.752 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 -5.621 5.435 -5.173 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 19.547 0.728 22.351 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 -12.459 -10.218 -9.403 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 -4.831 -4.813 -2.418 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 -16.471 -7.532 -2.411 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 -2.113 -12.421 7.614 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 4.611 1.240 4.750 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 5.129 4.403 -3.771 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 -3.975 -8.625 24.790 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 -6.937 2.646 4.802 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 2.357 8.325 9.874 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 2.092 7.275 -1.635 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 -4.226 -2.641 3.707 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 -0.298 -11.656 17.765 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 8.303 7.222 -0.149 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 0.598 0.911 -5.872 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 -15.015 -0.037 8.654 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 -13.198 -10.749 -6.094 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 3.684 0.755 3.126 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 7.734 0.277 -16.417 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 -4.378 -3.056 8.213 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 1.564 -1.890 -2.758 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 23.254 -7.274 29.880 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 -0.331 -11.719 -14.325 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 0.289 1.250 -1.249 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 10.247 -5.936 -2.430 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 -16.471 14.106 -12.711 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 -7.376 0.960 -0.742 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 -8.701 -2.583 -12.697 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 -2.017 -5.772 17.469 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 4.045 7.183 -2.023 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 -0.730 -12.976 -17.285 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 14.667 -10.629 3.315 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 0.523 -3.694 -1.400 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 31.009 13.679 16.699 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 -30.830 -11.752 28.536 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 -2.559 5.572 -0.096 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 -13.963 -0.999 -5.721 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 1.532 -1.356 3.955 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 -1.939 9.571 7.110 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 -21.949 11.791 4.815 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 3.493 -8.228 -1.751 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 -8.428 3.050 -1.862 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 -7.997 10.542 6.609 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 -48.081 0.821 -8.097 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 -6.259 -1.600 -5.642 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 2.133 0.692 -9.405 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 -6.449 -5.837 -17.925 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 3.099 2.033 1.454 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 -15.013 12.597 -11.590 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 -3.213 5.760 8.478 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 -1.995 5.370 -1.360 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 -10.071 4.398 -16.764 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 -14.310 12.876 -24.190 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 -1.037 -4.240 -4.137 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 -10.289 15.082 -2.743 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 22.980 -5.418 -4.300 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 5.352 3.304 -4.760 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 1.040 -2.541 0.482 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 -15.758 -4.646 19.499 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 8.447 -0.725 -4.723 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 3.400 12.820 1.826 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 19.449 -6.921 5.267 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 -7.067 3.703 -1.200 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 -18.517 12.256 5.973 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 -11.225 -12.075 7.126 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 -5.284 2.867 4.688 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 2.985 3.892 -0.240 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 -8.826 1.312 9.313 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 2.703 0.075 3.938 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 3.053 -13.591 -9.281 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 1.562 3.427 -17.980 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 5.108 1.592 4.297 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 9.144 -21.806 2.789 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 21.530 12.767 -9.231 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 -7.114 0.535 -1.425 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 -6.336 7.481 -19.062 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 0.051 9.468 0.964 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 -0.286 -2.104 4.629 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 12.124 -12.421 9.248 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 -1.122 3.861 0.133 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 6.159 1.550 0.217 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 10.212 5.481 -11.837 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 13.276 8.427 -21.383 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 -0.386 -3.102 7.575 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 10.326 -16.053 -0.666 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 1.497 -8.882 4.041 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 3.193 5.026 4.743 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 13.789 4.293 -11.227 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 -6.400 19.767 17.579 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 -5.627 -2.907 -3.746 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 20.950 -13.581 -2.628 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 -1.908 21.874 3.702 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 -0.675 2.736 -5.550 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 35.267 -3.230 -0.173 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 -13.898 4.166 24.973 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 9.036 -2.287 0.027 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 -2.461 -7.492 2.453 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 -3.918 17.670 1.310 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 1.261 0.851 -7.543 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 -15.206 -9.012 -2.893 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 -5.753 10.803 -5.168 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 4.665 -1.215 -1.934 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 10.535 8.787 -8.594 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 0.977 -4.283 2.293 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 -0.876 -5.785 -2.533 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 -8.447 -5.785 -23.456 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 3.441 9.597 2.364 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 2.905 -9.504 3.491 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 -6.958 -26.041 11.837 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 -16.350 4.360 -11.448 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 -2.508 1.954 -5.434 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 3.451 -21.312 6.175 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 -8.089 -1.561 -6.821 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 0.689 -0.100 7.508 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 -5.656 10.521 3.163 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 5.380 -8.687 16.226 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 1.580 -1.035 -0.732 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 9.632 5.470 -8.526 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 8.552 -4.315 -7.858 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 7.524 -6.859 3.902 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 6.011 4.579 -1.753 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 12.636 -17.565 7.370 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 -1.898 -7.244 -3.078 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 4.586 -32.978 -9.267 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 12.753 -0.237 12.020 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 0.824 4.537 -4.040 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 14.193 36.286 7.989 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 -12.199 -6.228 9.925 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 -1.787 1.801 -1.799 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 -20.073 -14.823 10.763 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 4.829 -11.807 2.134 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 -0.065 -3.673 1.839 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 -5.515 -9.187 -6.990 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 -1.926 -5.738 16.287 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 -0.538 -0.007 8.293 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 12.641 30.375 12.830 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 -2.706 -16.766 -6.076 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 -1.648 5.888 -3.727 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 14.688 -2.576 3.982 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 0.269 24.598 -9.220 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 -4.189 -1.401 -3.052 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 11.545 -11.620 -5.051 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 12.943 -12.594 -5.521 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 4.729 -1.073 10.789 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 -5.324 -8.204 -2.070 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 10.951 -9.890 2.509 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 7.848 1.341 3.493 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 -11.693 3.097 -21.789 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 3.934 -25.373 19.888 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 4.186 6.463 -1.552 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 2.700 26.014 11.474 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 -2.276 -26.080 -19.992 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 0.486 -1.476 -2.660 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 -2.308 -14.073 6.315 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 -32.463 3.234 -1.366 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 -0.710 -3.053 3.009 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 20.601 -5.393 3.320 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 -0.757 -1.215 4.445 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 -1.317 -1.451 0.565 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 0.930 0.536 0.746 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 1.376 0.568 0.164 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 -1.043 -4.675 2.734 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 -12.443 -10.314 -8.916 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 -6.023 6.791 7.067 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 2.545 -4.619 -1.771 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 -1.393 4.694 -32.965 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 -8.464 15.493 3.042 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 -1.703 -0.166 5.823 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 -20.786 -9.661 3.900 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 -2.867 5.438 13.639 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 0.343 0.067 5.857 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 1.228 0.345 4.513 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 -13.630 -12.244 -10.530 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 -0.372 -0.700 1.032 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 12.619 -0.597 4.518 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 -9.934 -9.054 11.942 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 -1.562 -1.637 0.392 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 31.673 1.873 -16.421 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 -26.811 -4.378 -21.184 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 -3.691 5.271 -0.003 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 -3.117 -2.228 -10.487 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 -3.898 2.474 -4.120 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 2.007 -2.111 -0.233 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 6.545 7.650 -1.387 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 15.650 -32.094 -6.056 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 -1.757 -5.865 -0.271 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 -2.798 -12.958 -7.977 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 -4.442 -12.348 14.662 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 -1.494 8.341 4.686 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 -9.813 -12.251 -7.847 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 -0.590 11.520 4.128 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 1.695 0.071 3.522 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 8.050 -3.105 15.919 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 12.122 -4.987 -5.169 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 -1.782 1.447 -1.397 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 -11.069 1.658 -2.309 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 14.038 1.522 0.696 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 -3.531 2.344 1.362 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 -17.571 14.700 6.925 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 -4.913 1.943 -18.313 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 2.015 4.132 -5.594 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 3.818 14.139 -13.354 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 11.954 -2.531 -5.882 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 2.667 -8.235 2.616 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 13.070 15.457 -46.669 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 1.135 0.185 13.485 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 -1.261 6.314 4.025 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 26.715 -12.063 6.862 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 -3.149 -57.958 -16.390 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 3.699 -1.821 -0.733 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 0.362 31.030 -7.012 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 -18.161 -19.659 -14.368 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 1.324 0.501 3.358 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 1.585 1.337 3.192 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 -2.672 -5.486 3.892 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 -0.901 2.322 1.572 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 20.567 -6.439 -8.718 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 -19.799 5.770 -3.739 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 3.098 -3.241 2.033 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 -5.604 -3.248 5.069 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 10.115 -0.969 -5.766 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 -2.888 -1.764 1.462 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 -16.241 -12.568 -17.245 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 -10.080 5.653 -22.263 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 2.772 -1.064 -2.810 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 -2.193 6.147 17.819 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 -5.419 12.539 14.295 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 -0.480 -4.497 -3.947 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 0.066 13.303 -15.268 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 -6.564 -16.791 17.814 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 -2.965 0.664 -0.905 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 -15.617 -16.640 17.416 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 -8.369 5.844 -6.288 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 2.533 3.607 5.642 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 1.525 -11.157 -3.283 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 1.492 8.662 1.585 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 -1.869 3.396 4.216 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 1.152 8.649 3.334 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 -10.435 -10.459 1.434 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 2.095 5.840 -0.892 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 -7.272 11.124 11.860 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 7.792 -3.543 -14.742 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 -7.116 4.069 -2.559 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 3.835 17.882 -6.066 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 23.539 -11.446 6.021 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 -4.866 -0.546 0.707 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 -5.670 1.486 -10.354 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 -4.356 -5.581 -8.713 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 7.247 -1.517 2.208 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 -5.720 22.190 -9.329 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 2.013 -7.854 3.245 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 -6.500 1.499 -3.546 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 3.698 -2.502 -5.140 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 20.431 -17.356 -3.466 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 3.892 -1.371 6.705 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 22.767 10.990 -3.707 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 24.815 15.081 9.843 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 0.231 1.552 -1.500 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 15.531 -4.899 -0.998 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 0.423 8.643 -10.498 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 1.638 -1.926 -1.206 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 0.766 -3.778 6.985 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 0.847 7.124 25.389 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 2.026 -0.455 -0.314 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 12.981 -4.608 11.678 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 3.527 13.018 -0.200 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 1.497 -1.236 6.221 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 18.738 -0.419 -18.832 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 -6.353 23.084 -12.671 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 1.296 1.234 0.177 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 -11.036 -0.208 -7.776 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 8.427 -6.126 -5.685 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 2.004 0.445 -2.157 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 0.364 -34.364 6.316 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 1.718 -23.861 4.605 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 2.700 4.584 -1.674 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 -2.276 -17.677 -11.555 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 -16.988 14.714 1.492 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 8.440 -6.575 -7.803 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 11.213 3.072 -15.984 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 7.324 -21.184 -22.050 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 -4.796 -1.058 -0.685 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 12.122 -1.491 -4.671 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 -12.398 24.426 0.277 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 6.630 2.829 0.720 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 -11.012 8.502 -6.949 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 -1.730 27.936 -1.176 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 0.204 -4.019 -0.058 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 -12.418 -0.876 -0.314 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 3.799 -4.264 -14.325 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 0.458 -2.159 -2.775 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 -23.467 -11.509 -13.942 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 -11.894 -8.153 -11.249 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 -2.397 1.484 4.154 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 -6.041 24.750 10.663 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 -7.735 3.061 -23.659 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 -3.620 -0.402 5.521 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 -9.050 -0.523 -1.356 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 2.717 2.476 0.526 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 3.623 -1.998 3.561 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 14.722 -3.288 3.341 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 9.342 11.651 2.460 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 -6.127 -1.050 6.560 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 -5.113 -5.499 22.334 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 -4.732 10.821 -1.753 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 3.310 -3.594 5.237 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 6.721 -0.461 -7.467 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 -9.586 3.427 7.349 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 5.149 2.040 2.720 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 15.643 4.245 4.105 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 0.305 6.874 -6.179 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 -6.228 -2.518 -5.206 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 8.651 12.710 5.732 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 -30.295 5.221 -25.938 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 3.656 -5.493 0.842 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 -14.066 -13.818 23.324 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 9.759 8.894 -12.561 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 6.086 3.538 3.552 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 3.384 -5.013 -3.719 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 -7.901 3.753 14.739 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 -4.567 -8.741 1.279 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 -22.294 -16.694 -2.476 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 -10.941 3.923 11.395 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 4.723 -3.967 -4.002 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 4.758 5.042 -1.401 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 0.924 -27.662 -2.809 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 2.537 -0.365 -4.676 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 5.389 11.537 -7.787 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 -2.948 12.380 -3.183 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 -2.461 -0.670 -6.040 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 11.511 -24.108 19.288 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 -14.762 10.088 -19.642 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 -3.051 -0.523 0.920 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 12.170 20.082 -22.074 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 6.496 15.176 18.891 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 -2.695 1.775 0.255 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 -0.172 10.792 -6.106 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 -6.379 -20.524 15.116 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 -5.272 -2.799 -2.370 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 -8.074 -4.946 5.950 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 -10.467 -1.678 5.822 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 -4.598 -1.116 -1.664 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 -4.930 7.949 4.463 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 -9.345 -4.869 6.978 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 0.190 1.899 -2.635 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 3.940 25.182 -16.294 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 29.057 6.215 10.902 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 1.198 -3.247 -1.087 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 16.932 -33.006 0.080 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 -19.977 34.950 -1.680 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 -4.938 -4.390 -0.113 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 14.087 13.144 -9.302 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 -28.736 2.006 6.020 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 3.827 5.633 1.176 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 15.960 -0.598 2.862 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 -30.525 -14.652 8.023 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 1.419 4.076 0.895 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 -2.468 -21.250 0.161 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 -23.487 16.192 -2.209 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 -3.341 7.443 3.208 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 -3.282 9.255 -6.508 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 2.602 -5.836 9.849 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 -3.618 -7.742 0.466 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 9.848 5.046 -5.156 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 -2.051 3.457 2.086 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 -1.246 -2.531 -6.199 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 -1.997 20.868 3.638 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 25.355 -10.264 25.271 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 0.068 3.099 3.839 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 -29.602 8.062 9.064 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 -0.549 8.370 -20.118 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 0.173 -1.545 1.265 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 -1.811 -6.477 -13.001 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 1.121 2.149 -3.811 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 -4.132 7.439 8.402 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 1.260 18.985 0.963 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 -0.072 10.915 4.131 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 2.104 2.914 5.932 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 1.825 -5.712 0.004 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 5.590 10.485 -0.615 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 3.222 1.855 9.470 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 -13.139 5.769 6.126 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 6.875 2.926 8.937 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 -2.650 2.447 2.630 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 5.253 -0.229 0.466 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 -5.302 2.524 -1.175 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 0.852 -0.934 1.256 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 -0.205 -8.731 0.539 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 -1.466 -24.639 1.145 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 -3.776 3.966 -4.333 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 -8.041 -0.325 -4.513 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 -9.352 1.661 -6.884 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 -10.123 -0.810 -2.377 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 -17.252 2.924 11.950 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 6.193 1.277 -0.162 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 3.763 -3.762 1.009 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 3.457 0.510 11.671 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 12.538 3.177 6.941 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 -1.394 -4.238 5.368 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 2.309 8.071 13.212 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 17.240 -8.721 -14.343 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 3.609 -1.412 1.284 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 -9.970 0.632 -4.197 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 5.103 -2.638 3.336 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 3.658 2.034 -0.162 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 6.171 2.321 0.396 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 5.222 7.884 -4.335 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 1.363 0.579 -1.797 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 6.643 -5.953 11.810 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 8.493 7.113 20.215 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 -8.485 0.640 4.480 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 -9.414 -1.165 8.432 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 -6.332 -0.809 -3.218 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 2.877 6.703 4.404 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 6.970 1.979 0.386 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 5.757 -1.656 -16.950 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 -3.862 3.522 0.651 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 -9.695 0.807 0.415 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 2.577 1.073 19.952 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 1.469 -8.694 -0.390 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 2.710 8.808 2.305 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 13.680 -9.650 -10.603 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 8.871 -3.976 4.972 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 13.245 -6.285 -4.167 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 -34.591 -9.685 1.680 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 -0.107 -5.343 -5.955 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 -23.918 -14.371 22.381 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 29.997 -2.578 17.329 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 -3.605 -4.510 0.147 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 -29.087 -13.503 9.662 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 11.045 11.243 0.437 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 -2.482 -1.895 -2.207 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 6.771 -7.440 -11.550 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 -7.197 10.475 9.944 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 -0.825 -0.135 -1.165 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 14.262 -4.774 -12.105 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 6.364 -14.556 14.950 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 -0.446 9.663 -4.207 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 10.190 6.244 10.428 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 -6.744 14.218 4.641 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 -3.009 5.516 1.709 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 -15.371 23.604 6.874 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 7.211 -8.153 -5.428 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 -1.080 3.642 0.215 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 11.860 -5.881 17.163 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 -0.953 23.774 -11.250 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 2.330 2.013 1.435 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 -11.874 8.262 1.103 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 -5.598 7.147 7.679 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 1.967 0.644 1.981 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 4.678 -3.152 2.447 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 1.885 2.880 -3.528 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 -4.790 -0.511 -3.567 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 2.219 1.012 -0.991 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 -2.139 0.010 -3.595 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 0.755 -4.163 7.854 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 -3.024 -7.593 11.368 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 12.413 -0.451 -13.542 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 -0.644 1.344 -1.278 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 0.520 -4.108 2.377 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 7.748 -3.360 -12.668 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 4.382 -1.145 1.880 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 -23.290 -10.864 8.620 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 2.139 -3.673 26.578 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 -2.799 -4.534 3.954 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 -6.833 -0.531 0.472 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 -14.214 -1.692 1.124 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 6.654 -0.029 5.226 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 -6.488 17.181 -14.430 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 7.432 -5.371 9.701 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 0.275 -2.946 2.549 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 12.329 -20.917 -22.146 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 8.799 -35.692 -22.715 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 -4.320 7.950 -3.485 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 -3.700 15.387 -3.698 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 10.882 4.176 4.992 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 -0.269 -4.083 6.706 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 4.588 1.181 3.632 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 2.843 -2.460 5.969 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 5.263 -1.551 0.628 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 15.732 1.929 -17.635 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 10.062 -27.309 -7.586 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 2.082 -0.681 2.942 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 -12.651 -11.345 2.344 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 9.353 -0.249 3.437 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 2.393 -9.956 -4.151 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 9.424 -2.774 -10.747 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 0.719 -11.023 -3.811 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 3.570 -3.935 1.578 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 13.728 0.274 7.480 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 17.254 3.439 -3.306 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 -6.218 -4.592 0.052 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 -5.549 -2.273 0.896 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 -5.502 -0.425 2.618 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 -2.159 1.052 -2.863 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 12.863 17.704 -28.977 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 4.445 3.718 17.609 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 -4.165 2.832 -2.667 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 -2.492 -8.314 -8.849 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 -9.748 12.901 -13.800 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 3.936 -0.111 -3.986 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 -12.100 3.711 -17.268 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 13.382 -6.116 3.952 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 -2.104 -0.207 -1.495 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 -7.461 1.579 10.479 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 3.866 -4.009 -10.316 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 -1.025 -7.616 6.057 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 -1.193 -16.119 1.160 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 -3.550 -5.296 -13.783 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 6.146 -0.850 -1.602 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 9.789 7.853 -2.970 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 10.993 16.107 -5.787 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 1.565 6.522 0.825 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 14.233 -2.932 0.974 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 -14.501 6.384 23.987 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 4.806 -3.006 3.506 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 -11.077 -4.931 14.785 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 16.319 1.223 -2.550 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 0.093 -5.294 2.061 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 -4.762 -7.850 -1.917 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 -2.027 -11.053 -0.293 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 -5.083 8.179 -3.041 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 10.130 9.472 -7.536 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 -11.445 0.702 -16.367 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 1.281 -2.211 1.475 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 -3.441 1.291 -16.909 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 9.097 15.886 9.961 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 -0.374 1.108 -3.808 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 -17.477 3.841 -6.529 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 19.014 15.578 -11.637 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 -2.324 -4.483 3.941 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 -1.886 -7.244 -16.524 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 29.040 5.754 -17.122 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 5.072 6.279 -0.647 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 -6.382 -3.051 5.555 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 -6.897 8.958 11.677 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 2.899 3.983 3.177 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 5.684 5.266 10.179 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 -1.498 -8.696 6.967 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 0.345 -4.486 3.658 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 7.095 6.219 7.630 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 10.922 -7.357 3.042 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 1.366 2.206 -3.902 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 4.685 -6.063 -10.210 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 -10.342 -1.373 8.414 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 1.151 -1.717 -4.149 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 -9.491 -0.423 -9.516 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 17.903 -6.696 -2.661 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -2.500 -4.864 -5.101 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 -3.479 -7.637 -11.324 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 9.953 4.293 24.551 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 -3.411 0.295 3.068 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 -1.074 7.935 -3.711 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 -9.009 -5.465 -0.871 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 2.148 6.140 2.672 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 -2.805 22.538 10.335 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 0.377 -8.024 -0.240 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 7.225 4.279 -4.988 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 -11.586 -7.917 18.180 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 -8.282 6.051 -3.410 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 4.607 0.962 0.810 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 15.697 15.190 -6.062 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 -11.384 7.723 7.473 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 -0.990 -1.280 6.712 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 -2.504 -1.124 -8.028 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 11.959 1.722 24.034 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 -2.607 3.463 4.249 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 -8.768 12.554 17.233 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 -1.900 -1.233 7.576 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 -5.645 -0.301 0.574 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 -12.307 0.380 4.376 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 -17.909 5.316 -4.460 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 8.503 -9.146 -8.500 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 4.282 21.907 8.452 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 -11.763 -4.288 6.523 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 2.316 3.366 3.182 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 -21.953 -13.301 10.814 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 12.839 -17.317 -15.488 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 1.201 -0.276 0.887 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 1.882 11.228 5.468 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 -9.560 -4.299 7.179 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 -0.208 -4.261 1.379 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 11.394 -10.961 15.040 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 -6.170 0.683 16.636 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 3.438 -3.734 -2.333 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 4.005 -2.914 -4.947 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 -4.159 -13.459 7.828 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 1.698 -0.602 4.677 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 3.127 1.112 -0.761 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 15.124 1.450 0.583 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 -5.131 0.871 0.724 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 12.133 -3.947 -12.198 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 1.555 8.467 26.375 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 3.305 6.799 -0.648 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 12.684 35.133 -36.016 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 19.590 14.133 1.200 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 -1.528 -1.100 -0.009 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 -2.325 -1.471 0.363 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 -0.027 3.970 -1.716 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 -3.126 -1.482 -0.007 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 2.809 -20.602 9.579 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 0.843 -22.393 8.878 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 -1.733 -4.950 0.509 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 -16.024 22.667 -7.650 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 33.976 1.524 9.807 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 -1.127 1.379 9.431 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 5.518 3.011 4.091 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 -19.048 9.417 6.458 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 8.952 -0.580 0.920 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 0.571 -14.142 0.729 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 12.132 -0.316 -10.980 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 7.575 0.815 3.741 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 -2.841 -13.489 17.138 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 -12.707 -0.397 9.562 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 -2.369 -6.266 -3.239 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 7.203 29.629 10.444 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 -22.068 5.714 -2.122 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 -2.908 0.916 2.333 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 10.763 -2.412 5.903 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 14.714 11.871 -6.448 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 -7.667 0.149 -8.427 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 -8.345 -14.714 -10.715 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 -13.129 10.761 2.786 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 0.677 3.071 0.875 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 -22.976 28.644 -12.226 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 10.293 -12.996 23.682 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 2.597 -9.246 0.623 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 1.495 33.903 6.899 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 -1.083 -15.224 4.164 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 -3.890 -3.478 3.391 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 -0.049 -2.982 13.641 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 -1.483 -3.324 10.557 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 -3.156 -2.508 4.603 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 -1.029 -0.954 6.134 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 -8.397 -1.608 5.444 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 0.060 -0.618 -5.843 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 -17.859 -0.245 -5.134 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 -5.294 -1.794 -1.055 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 1.465 2.936 4.252 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 -1.749 0.841 -11.897 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 13.006 3.589 0.829 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 -1.066 -0.567 -5.115 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 4.016 -18.915 6.449 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 -2.814 -6.620 3.420 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 -6.341 -3.557 -11.337 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 -1.253 0.792 18.186 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 1.444 0.035 14.303 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 -1.404 -1.941 -3.888 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 -9.276 -4.331 6.793 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 -7.112 -7.824 30.535 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 -3.448 9.638 -1.172 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 -14.635 10.400 9.968 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 7.976 -3.313 4.394 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 2.053 -0.045 9.061 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 -5.671 13.858 -8.826 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 -6.267 11.231 -9.411 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 -6.321 -3.077 -1.671 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 9.471 -5.744 -1.434 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 -5.732 -5.732 -6.283 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 3.996 5.387 -0.027 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 6.153 4.230 -1.510 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 3.565 -0.129 -4.308 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 -1.005 6.962 -0.896 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 0.299 20.726 -11.885 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 4.477 -12.619 15.495 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 -6.273 -2.966 -3.616 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 -10.974 0.309 -3.815 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 1.643 -1.234 3.028 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 -3.000 -1.205 -0.115 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 -5.737 14.223 -4.242 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 0.218 -27.267 4.481 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 1.403 -0.933 2.910 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 6.868 6.833 -3.381 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 4.640 2.045 -3.023 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 1.551 -1.892 3.595 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 -8.959 -8.994 14.326 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 -19.465 -2.077 14.383 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 4.474 -3.682 0.222 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 4.722 13.568 -19.986 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 6.811 13.702 -19.240 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 -1.828 3.068 -1.373 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 2.525 1.855 8.701 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 -13.447 3.556 3.579 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 -5.524 6.735 -1.946 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 2.686 8.546 3.512 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 -2.676 1.029 5.589 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 1.705 -0.082 0.641 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 9.289 -10.806 0.175 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 0.831 -12.628 -20.878 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 4.266 1.185 3.411 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 13.484 8.162 -0.848 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 20.390 13.174 -2.595 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 -2.885 -0.901 1.045 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 2.069 -6.253 3.657 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 -3.983 -10.340 -10.608 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 4.425 1.404 -0.003 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 -8.973 -11.731 3.404 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 16.307 -6.567 -7.665 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 -0.370 -1.638 -2.727 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 -3.748 -6.787 -3.554 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 -1.748 1.320 -1.928 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 -0.362 -3.612 2.160 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 -0.298 -7.129 -1.281 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 1.090 -1.333 4.345 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 -2.136 -4.018 3.321 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 6.882 -3.949 2.808 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 -11.917 -2.938 3.646 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 5.458 1.197 -0.156 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 24.206 25.334 10.832 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 -19.220 -20.649 2.952 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 -3.943 -0.159 -7.518 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 -7.323 10.882 -7.577 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 -0.515 -19.918 -27.009 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 -0.715 2.970 0.493 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 5.360 12.372 8.470 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 28.726 -7.818 28.490 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 0.898 -0.446 1.097 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 0.755 17.199 -13.254 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 0.574 -1.829 1.449 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 2.797 -0.274 2.909 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 4.753 -7.016 23.526 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 6.930 -2.937 8.390 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 -2.617 -5.191 2.392 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 17.066 -11.374 12.398 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 -14.236 6.538 -2.567 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 3.009 3.447 -6.249 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 -1.724 -6.868 -1.059 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 2.045 1.802 -19.269 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 -3.838 -1.472 0.159 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 -1.374 -0.424 0.771 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 1.931 -7.553 -8.070 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 1.744 1.333 -5.039 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 8.142 2.768 -15.142 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 -29.586 12.651 -6.160 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 -1.515 5.087 -1.886 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 -11.076 -0.444 -4.764 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 -8.422 2.252 -8.011 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 1.723 1.617 4.640 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 -0.089 0.259 3.903 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 8.355 5.093 4.741 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 7.766 1.388 -1.476 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 1.880 8.669 -9.892 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 -2.131 -14.108 -6.661 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 5.706 -3.277 -7.600 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 -4.760 7.547 -10.331 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 4.842 7.614 -3.436 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 -2.106 3.428 -1.021 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 5.857 -7.151 -1.316 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 -8.083 30.905 -13.411 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 -2.663 2.797 -2.226 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 3.114 -12.124 -11.941 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 11.812 16.160 5.024 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 -2.017 1.800 0.472 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 -7.141 4.507 1.169 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 5.970 -20.660 -18.548 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 0.385 -1.285 3.305 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 5.995 7.865 2.772 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 30.513 10.760 7.175 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 0.938 -4.890 -1.609 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 18.356 -2.875 16.828 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 18.626 -17.014 -1.494 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 -1.866 -2.163 1.592 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 -0.424 -6.550 19.820 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 -2.096 -1.850 -1.071 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 6.361 -2.176 -0.266 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 13.628 1.397 4.630 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 6.304 -4.254 -2.253 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 5.936 -2.992 2.501 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 19.721 -18.220 -10.134 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 -7.069 -4.640 4.868 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 1.945 1.566 -0.646 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 4.801 3.540 1.247 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 0.120 0.031 -1.575 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 3.695 -4.081 -1.237 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 -8.864 -10.376 14.327 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 -7.663 9.106 -6.722 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 1.033 -2.859 0.240 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 -1.973 0.764 0.533 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 -1.036 -4.074 -4.589 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 7.677 1.934 1.288 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 -2.483 -22.224 25.235 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 18.817 -5.692 21.852 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 5.134 2.204 8.523 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 -12.023 -5.577 -27.067 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 6.445 -17.481 19.660 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 -5.004 -3.584 -0.795 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 -0.238 -10.541 -8.106 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 0.062 7.852 4.142 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 1.804 -4.038 -3.485 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 6.958 -10.285 10.565 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 8.820 -15.520 -10.951 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 0.211 0.697 -6.492 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 6.547 -15.995 -13.944 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 -6.210 10.805 14.476 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 -7.736 -8.364 3.966 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 -8.341 -17.128 8.961 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 22.626 4.642 3.751 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 3.618 3.000 -0.159 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 -6.525 4.937 22.649 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 12.463 16.959 -0.330 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 -3.019 3.122 -4.292 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 26.753 15.641 10.959 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 -0.617 -14.813 12.474 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 4.050 0.687 -1.989 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 10.399 8.416 -14.778 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 -9.412 -22.564 -12.141 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 -5.917 -1.374 -4.258 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 -1.915 2.337 8.852 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 -2.963 10.541 -3.419 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 -1.953 1.808 2.065 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 -9.191 6.850 1.357 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 -24.581 -10.309 -24.530 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 -4.991 -2.798 -0.467 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 -1.297 0.534 6.154 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 7.232 9.666 -15.438 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 -4.694 2.099 4.310 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 3.647 6.157 6.003 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 -1.923 -7.644 5.278 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 -5.634 -1.350 -1.190 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 5.796 -10.507 -8.991 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 -7.266 -1.696 -15.336 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 1.765 -4.386 -0.864 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 -5.735 -17.904 1.483 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 24.994 -8.829 7.505 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 6.190 2.788 -3.913 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 0.779 -7.067 -8.593 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 19.596 13.992 -0.320 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 -3.453 -2.070 3.640 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 -14.273 -30.059 -10.488 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 -40.013 -4.080 9.006 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 2.387 -0.721 -2.843 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 -4.396 -1.079 -8.207 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 -3.836 1.819 0.932 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 4.002 1.081 -4.278 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 8.427 -12.703 -9.523 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 5.000 8.716 11.905 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 -3.996 0.255 3.640 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 -18.115 18.631 14.509 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 -6.419 1.703 -5.077 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 -1.342 -3.290 -3.704 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 -8.149 -7.216 11.576 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 -11.409 -12.405 2.848 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 6.688 -1.720 -4.291 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 -13.622 -12.770 5.748 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 -16.560 -9.648 -12.430 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 7.752 2.019 2.905 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 19.212 -4.292 -5.853 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 -6.671 0.670 -1.608 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 3.686 -5.026 -3.500 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 -2.308 7.224 13.092 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 -1.472 -0.478 -3.423 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 3.506 -2.256 -0.846 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 0.503 10.715 -9.620 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 -3.476 -9.934 8.043 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 1.532 -0.810 -0.909 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 9.740 6.252 12.600 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 5.474 0.067 -1.631 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 -1.670 -5.088 1.433 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 2.801 -11.326 0.813 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 -8.374 -10.251 -2.539 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 -1.738 -1.119 -3.002 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 4.810 16.140 -1.596 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 11.729 -9.855 -11.339 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 4.451 -5.773 -1.011 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 0.105 -2.571 0.399 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 4.683 -5.433 -6.323 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 1.680 2.125 -3.121 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 -5.947 14.503 2.124 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 -13.621 -13.347 -0.503 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 -1.871 -3.981 2.210 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 -4.923 -2.788 -7.595 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 -16.184 -13.946 15.138 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 2.347 -4.629 6.519 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 3.661 5.521 9.811 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 -13.186 -11.563 5.603 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 -0.192 -2.237 5.707 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 -19.778 3.367 10.808 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 0.690 -1.517 6.675 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 -1.004 -1.406 -5.273 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 -18.360 4.728 -0.736 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 -18.905 13.872 4.719 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 -2.053 5.843 1.046 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 5.722 15.514 -6.256 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 -0.109 -15.129 4.566 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 5.972 -0.389 -2.773 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 -17.883 14.699 10.184 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 -5.277 12.587 -39.281 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 1.121 -1.582 -5.755 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 1.369 -4.735 -6.726 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 -4.794 -2.421 15.281 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 -1.679 4.744 4.193 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 0.539 -4.168 -22.180 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 19.625 23.376 7.599 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 4.333 -7.337 -3.353 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 -9.717 0.407 -11.009 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 0.637 -24.933 -3.602 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 1.255 -5.267 2.519 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 9.335 2.880 3.509 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 6.018 -0.391 -0.613 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 -0.848 1.922 0.514 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 6.141 1.907 -6.706 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 -0.318 -8.817 5.131 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 -7.698 3.065 6.173 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 23.199 -12.282 -11.035 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 21.897 3.791 -6.588 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 -5.849 1.456 0.284 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 -3.541 -3.161 0.668 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 -18.192 31.722 5.039 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 1.198 -7.066 -1.259 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 9.888 0.294 -27.496 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 2.275 -9.594 3.139 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 -5.805 0.894 -0.840 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 -5.145 -1.433 3.921 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 -2.661 -7.503 -6.247 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 -2.870 5.249 3.731 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 1.161 -0.203 21.405 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 1.368 5.245 9.903 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 4.840 3.206 -5.612 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 6.786 5.156 -3.024 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 0.926 -2.388 -11.120 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 0.403 4.947 3.970 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 17.291 -7.898 -13.431 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 -10.323 14.111 15.361 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 -5.327 4.358 -4.985 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 7.538 -17.072 -13.056 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 -7.570 1.530 -2.956 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 0.493 7.516 5.433 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 -4.372 1.482 -11.887 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 -26.285 19.508 4.718 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 0.305 -1.050 0.405 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 -3.580 -9.818 -8.135 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 -6.869 -14.164 -13.639 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 -4.559 -0.443 -2.538 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 -0.669 5.576 4.365 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 -5.387 -2.404 -17.757 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 -6.520 -4.458 -2.610 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 -11.727 -6.963 -1.982 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 -11.801 -5.755 -3.221 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 -4.034 1.468 1.305 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 6.795 -6.441 -13.179 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 6.752 8.001 18.246 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 1.596 1.901 -2.775 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 -5.977 -6.939 -4.107 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 -27.120 -21.708 -4.590 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 3.111 -1.861 -5.035 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 -0.014 10.167 -10.292 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 9.312 27.862 -19.420 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 2.213 -5.918 -1.326 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 21.630 -11.287 7.432 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 -3.493 -7.420 -5.826 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 -1.706 4.286 -2.152 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 9.691 2.930 -0.182 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 -2.531 12.442 -10.290 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 -7.774 -4.558 -0.716 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 -7.620 23.392 33.749 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 21.323 6.398 -27.763 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 -5.109 -3.641 -0.174 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 -2.715 -10.515 -2.230 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 7.031 15.834 -4.090 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 7.767 -0.352 3.996 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 19.521 1.214 5.635 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 -0.818 2.671 -8.154 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 1.398 -1.398 4.950 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 12.133 -1.065 9.308 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 7.365 -6.016 14.696 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 -1.439 6.354 1.129 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 -26.049 10.569 -10.767 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 16.697 3.630 -23.923 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 -0.069 -2.452 2.143 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 24.358 -15.672 22.989 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 -24.250 4.468 10.718 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 0.706 4.243 3.054 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 15.151 -18.833 0.444 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 15.711 -7.202 -5.106 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 0.196 0.862 5.470 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 -6.625 -7.876 0.648 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 1.862 5.803 0.596 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 2.237 -4.355 -9.156 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 4.681 -28.560 -8.413 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 3.104 -4.410 -0.602 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 2.315 -3.179 -1.290 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 10.531 -10.045 1.382 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 -2.065 -0.562 1.719 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 -0.844 1.860 3.264 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 4.760 3.061 0.268 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 -5.814 0.999 1.951 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 5.974 0.117 -6.228 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 -9.451 -14.815 19.326 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 -8.600 9.020 15.966 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 5.457 4.748 -1.823 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 2.386 9.021 -5.881 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 8.859 8.043 2.164 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 -2.083 -2.989 -3.420 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 -2.367 -1.775 -3.080 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 -5.855 -1.131 -5.585 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 5.690 0.290 -2.367 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 -15.520 -15.133 -3.708 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 9.437 -11.151 -13.680 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 4.522 1.646 3.496 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 1.897 -2.263 5.149 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 4.033 -12.560 -3.149 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 0.447 6.064 0.133 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 -7.102 -7.378 8.362 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 -8.565 4.487 -16.823 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 -3.340 3.390 1.591 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 0.629 6.327 3.210 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 -11.808 18.127 1.817 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 1.697 6.102 3.328 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 -9.016 2.665 2.222 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 -8.884 13.542 -2.674 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 3.148 -1.481 -2.604 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 -3.265 -1.415 -3.511 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 8.292 -2.000 4.006 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 -5.762 8.068 -0.765 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 2.064 20.450 -4.342 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 -0.779 -19.294 -32.282 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 -0.786 0.378 1.297 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 10.147 -9.622 4.918 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 -22.021 -11.007 -3.504 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 0.595 5.420 0.659 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 29.606 13.186 1.098 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 -4.493 17.104 22.842 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 -0.828 4.698 -3.079 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 6.232 -0.376 -14.487 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 13.917 -4.276 -7.713 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 5.218 -6.003 -4.432 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 2.235 7.997 -33.151 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 5.842 -1.695 -11.051 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 -1.390 -5.355 -1.622 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 21.013 4.024 8.381 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 -13.318 -3.147 4.733 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 -4.840 -0.810 -0.525 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 -12.191 12.019 12.565 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 -4.576 -19.984 -17.687 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 -1.270 -6.621 -5.064 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 -22.482 -9.134 -7.657 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 18.588 14.209 6.713 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 2.793 4.772 2.179 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 -1.604 19.957 -10.047 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 16.777 -5.017 -7.702 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 1.526 -1.912 -2.408 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 -6.686 0.868 16.956 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 13.145 -15.256 -6.983 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 3.205 3.224 2.829 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 -18.575 -1.771 -4.837 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 -26.107 -5.848 -12.307 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 -3.767 6.154 -4.060 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 9.379 -4.705 -12.224 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 14.682 -3.596 -1.225 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 0.662 2.393 -6.699 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 4.679 10.017 -6.726 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 4.114 -49.683 -14.663 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 4.917 -0.395 5.956 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 -5.060 -6.699 14.110 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 14.146 8.535 -1.607 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 -1.123 -3.654 -0.343 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 2.501 7.269 3.352 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 1.766 9.774 -3.281 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 -3.893 1.115 2.216 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 -0.818 -10.690 3.417 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 10.383 -19.703 15.496 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 -2.133 -5.327 -1.066 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 7.122 10.800 12.226 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 0.112 -11.409 -15.411 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 -1.996 4.013 0.980 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 35.704 1.766 14.230 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 0.890 -2.799 14.653 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 -1.290 4.967 -0.114 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 -1.347 -1.208 5.833 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 -1.277 -7.364 11.577 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 -8.987 -2.523 -1.535 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 0.783 -12.092 9.749 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 -27.589 -15.157 -1.338 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 -4.607 -4.187 -5.251 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 -12.873 11.586 -1.447 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 -17.186 11.164 11.558 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 0.251 1.353 3.735 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 -5.658 0.528 4.683 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 24.561 14.974 -7.636 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 -2.146 -2.728 3.241 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 3.428 -10.144 -18.722 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 6.569 -9.074 9.834 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 5.950 6.819 -0.830 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 0.391 7.673 3.533 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 7.738 -9.747 3.456 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 -2.122 -2.616 -4.993 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 -14.170 1.321 -6.232 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 3.295 0.884 1.555 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 0.786 0.392 3.623 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 -9.021 4.566 -5.331 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 -6.944 -5.955 15.105 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 3.263 3.841 -2.757 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 6.825 1.075 -9.790 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 -1.906 10.021 0.410 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 -2.110 -5.333 -3.397 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 14.136 4.971 -1.078 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 -16.784 6.134 -13.720 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 5.528 -1.585 10.920 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 -1.446 3.193 18.559 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 -10.659 1.929 8.897 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 -2.421 2.973 -5.253 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 -8.617 0.304 -0.504 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 -22.262 -1.380 1.091 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 -1.171 2.261 -2.572 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 -37.435 28.346 12.005 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 21.784 3.733 9.750 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 6.946 1.699 -3.522 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 8.313 -6.025 3.213 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 -9.087 -8.495 0.224 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 3.488 -3.669 2.380 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 -2.224 -10.208 1.589 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 6.181 1.841 6.361 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 1.646 6.783 0.407 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 12.266 10.647 -1.082 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 -2.324 4.312 -15.121 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 -1.163 2.861 -0.910 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 17.015 12.509 -0.049 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 21.881 14.613 3.985 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 -0.020 -1.422 4.690 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 18.172 -11.854 -3.568 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 -3.931 15.026 -9.777 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 -0.144 -5.970 2.304 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 -9.287 -12.141 1.415 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 12.984 12.198 -18.631 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 -3.332 0.428 -9.879 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 -13.083 10.047 6.793 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 -13.594 10.389 7.931 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 2.648 -5.462 -4.838 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 -5.384 -7.637 18.564 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 -10.364 11.696 -2.323 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 -3.826 1.839 5.457 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 19.241 -3.958 9.344 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 -5.531 8.249 -17.779 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 -6.033 -1.218 -2.505 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 -7.248 -2.361 -5.874 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 -7.319 2.553 -1.797 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 3.426 1.101 3.422 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 -20.876 -12.632 0.816 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 8.022 4.026 2.789 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 5.846 -6.347 -1.014 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 -2.511 -0.859 -24.307 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 -6.296 9.038 1.728 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 4.576 -0.595 -2.232 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 -12.231 -23.072 0.506 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 15.126 -10.305 20.375 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 0.128 -4.873 -2.278 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 9.216 2.474 -19.962 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 -6.006 13.110 9.214 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 -3.633 0.153 1.493 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 -8.938 -4.295 1.455 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 18.511 12.905 -8.595 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 -1.319 -1.713 -6.650 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 -8.318 -1.794 2.928 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 9.362 -1.955 -8.490 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 -1.347 1.995 -3.692 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 -4.866 19.596 -1.026 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 -4.448 5.229 -2.586 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 2.397 4.087 0.524 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 -11.437 1.916 -33.362 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 -23.920 -9.261 22.865 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 1.321 2.814 4.474 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 12.885 18.514 5.813 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 1.661 7.764 12.991 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 2.877 -5.527 -3.442 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 -6.874 -7.897 -7.744 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 3.783 -6.099 -2.990 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 -2.955 0.337 1.056 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 18.693 4.143 -3.358 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 14.383 3.699 -2.483 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 3.090 4.955 7.379 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 -14.990 0.365 -35.635 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 -6.206 -15.077 44.037 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 -2.668 1.582 -3.471 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 4.404 -21.977 -20.352 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 -7.423 -3.224 -7.467 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 1.317 2.054 1.811 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 -7.081 -6.170 -0.507 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 1.284 -3.169 -2.039 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 0.227 -1.789 2.399 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 6.948 -11.719 -15.853 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 9.167 -1.701 18.345 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 -1.368 4.314 2.620 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 20.194 -1.430 -0.843 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 3.155 -2.872 -0.436 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 -4.480 -0.582 2.420 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 8.726 -3.417 0.703 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 14.781 -6.024 17.602 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 0.040 7.398 -5.940 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 0.458 0.566 -13.153 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 -3.119 7.468 -9.248 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 -1.483 2.719 -1.956 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 -15.021 -14.325 -5.487 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 3.977 7.969 13.312 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 4.299 -2.406 -2.972 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 -4.380 3.357 -14.016 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 -13.784 5.649 -21.377 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 1.046 -6.766 -0.692 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 -2.431 -35.507 -2.761 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 -29.084 -18.206 14.076 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 0.930 0.458 2.138 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 5.087 20.059 -15.476 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 -18.078 8.376 15.089 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 -2.234 0.886 -1.033 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 -21.949 -15.731 -12.002 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 -14.337 25.023 -5.846 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 -1.210 -0.339 4.150 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 -9.613 -21.701 -1.487 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 -19.727 15.058 1.137 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 3.521 0.171 1.918 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 18.653 5.705 -26.571 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 -0.248 -0.313 -9.169 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 -0.297 3.505 -0.096 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 -12.939 7.872 11.814 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 -15.391 -2.467 5.962 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 -0.887 2.345 -2.403 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 -0.248 -5.060 -4.904 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 -4.174 -4.515 -2.372 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 -2.332 7.297 -7.879 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 4.289 3.288 9.004 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 -16.356 -17.008 -30.355 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 5.725 2.268 -1.070 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 6.978 1.061 -3.139 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 4.287 1.291 3.706 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 2.073 -3.454 -0.238 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 1.353 -7.652 -9.164 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 -0.146 4.893 2.682 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 -5.148 6.135 -3.081 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 2.215 0.046 -13.069 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 13.408 -14.594 -14.439 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 -2.383 1.718 -5.212 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 9.589 15.273 -20.244 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 -6.766 4.009 -12.706 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 0.041 2.512 1.762 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 8.898 1.087 7.033 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 0.883 0.516 -14.052 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 1.699 -1.206 2.463 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 0.576 -2.948 5.150 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 -11.608 12.786 -11.503 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 1.396 2.739 2.756 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 4.918 3.450 -1.378 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 -6.170 7.003 4.216 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 -4.851 -2.556 -5.339 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 -24.948 2.908 -6.663 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 -2.257 1.675 -7.788 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 2.127 5.144 -0.625 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 10.534 6.689 18.110 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 -13.193 2.010 -31.723 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 -0.648 -0.396 1.286 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 28.821 -24.260 -8.711 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 -1.110 -1.101 40.450 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 2.184 0.826 0.943 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 5.590 4.399 -3.307 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 -4.379 4.830 -10.048 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 4.329 0.298 -2.169 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 5.153 1.026 16.679 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 8.335 -17.219 -8.685 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 -2.652 -4.177 -0.265 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 -15.472 -3.359 0.765 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 -15.904 -30.982 -8.995 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 3.476 -0.971 7.340 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 3.833 17.741 -4.334 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 -9.585 -9.963 28.603 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 9.953 5.086 0.768 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 -4.027 -1.508 -11.545 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 22.189 -8.057 12.046 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 3.936 -7.940 -0.670 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 22.349 -10.634 5.268 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 -2.053 3.912 -5.710 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 -2.442 -7.730 -1.248 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 4.201 26.944 27.556 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 6.235 19.364 -15.724 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 1.503 -2.636 -7.546 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 1.621 10.940 -5.502 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 -10.470 1.423 -18.423 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 1.443 -5.386 2.929 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 -4.168 -6.477 -5.873 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 7.719 -3.032 9.688 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 -4.491 -3.207 4.325 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 -17.096 -14.319 14.266 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 7.043 13.001 -4.359 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 0.551 -0.825 -2.067 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 -10.221 17.273 7.856 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 27.139 15.350 23.039 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 5.549 -2.913 3.103 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 15.513 -6.584 -0.826 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 -0.052 4.647 -11.301 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 11.110 2.977 -0.950 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 -14.785 10.495 9.210 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 3.211 4.409 7.143 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 3.755 0.881 0.800 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 -1.387 -5.055 4.319 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 20.047 0.635 8.899 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 -3.355 2.460 1.295 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 -13.152 4.601 3.541 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 2.375 1.368 -2.342 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 3.863 0.085 -3.730 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 2.134 -9.144 -7.123 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 3.381 -6.971 -7.738 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 -2.227 0.088 6.358 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 -9.912 1.710 16.666 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 23.563 0.317 -0.567 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 6.607 -4.273 6.796 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 -7.875 1.871 -4.256 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 8.503 4.663 0.795 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 5.748 -4.282 8.134 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 3.310 -6.947 -13.430 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 -5.824 12.899 -25.945 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 -2.580 -1.738 6.974 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 12.684 7.729 -8.863 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 -5.928 -4.937 23.659 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 9.459 0.743 -1.190 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 -12.791 4.006 -2.848 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 -1.550 13.532 -19.616 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 5.504 3.685 -0.132 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 4.081 0.606 -2.160 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 5.701 0.130 2.476 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 1.073 -0.342 -2.347 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 7.429 10.269 2.274 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 9.427 9.610 9.731 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 -0.550 -1.186 4.154 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 2.238 -3.646 2.583 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 -9.575 6.824 4.386 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 4.973 0.077 -6.884 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 -2.542 6.856 -29.363 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 14.037 -6.070 -2.835 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 -2.779 -6.440 3.292 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 1.217 -4.632 0.207 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 -6.267 1.430 3.976 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 -1.514 -5.519 -0.102 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 -29.389 -6.170 4.417 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 2.470 -27.533 10.845 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 4.474 9.099 6.996 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 -15.753 14.176 16.477 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 -19.633 -16.453 -3.175 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 -0.652 6.777 -0.189 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 1.028 3.719 1.658 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 -2.540 1.713 3.258 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 7.252 -4.830 -1.881 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 15.217 -0.386 29.045 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 -3.785 21.465 0.131 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 -7.567 3.982 -1.955 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 -10.178 18.799 -2.420 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 -19.340 -2.892 6.463 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 -5.177 -2.284 -0.128 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 -4.708 0.608 -1.901 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 -4.935 -4.524 5.232 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 4.004 -3.022 -1.879 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 -1.096 -6.964 -19.609 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 -16.380 -4.925 5.411 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 -1.441 -1.692 0.752 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 -7.256 -7.255 -19.948 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 -8.466 15.528 7.469 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 -4.211 0.327 -6.576 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 3.932 3.518 2.128 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 -3.194 9.810 -16.050 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 1.919 -2.585 5.506 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 -14.248 -6.196 -4.853 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 -6.247 5.348 4.785 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 3.347 -0.661 -3.959 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 -2.452 -4.803 -16.828 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 5.873 9.782 -9.457 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 0.490 -0.656 8.283 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 -0.082 -1.603 5.485 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 -15.239 -14.492 8.640 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 -1.556 1.221 -1.770 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 10.547 -4.647 -17.439 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 -10.049 -10.071 19.767 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 -4.632 -5.932 3.979 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 14.316 -6.156 22.453 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 -6.019 -29.773 -2.723 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 -1.333 1.781 -1.473 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 -1.684 -0.709 -16.911 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 -8.967 1.789 1.175 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 -0.027 -0.564 -0.914 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 -22.701 -7.253 13.156 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 2.826 -3.613 4.271 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 -4.306 3.055 -7.585 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 -8.902 0.827 -19.864 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 -0.156 -2.896 3.189 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 -2.859 -0.131 -9.489 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 -2.515 -3.962 -15.870 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 -0.594 -6.158 -4.197 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 -5.082 1.487 -4.759 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 26.823 -0.595 -4.760 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 1.086 6.903 -24.327 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 2.134 -0.225 -5.389 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 30.563 2.704 -3.300 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 1.343 -7.574 2.821 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 4.251 5.059 -1.557 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 12.778 3.627 -4.331 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 23.273 -0.577 10.704 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 2.326 -1.822 -5.262 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 3.257 1.348 4.760 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 10.958 -5.983 -7.586 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 2.705 -3.764 2.467 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 -17.924 3.399 5.525 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 17.606 5.835 -8.646 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 11.040 -2.101 -1.045 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 8.376 -0.468 5.135 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 -4.561 -21.655 6.077 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 -4.563 1.905 4.662 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 2.192 7.627 8.019 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 -4.772 -6.219 10.135 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 -0.366 -6.911 -8.487 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 18.262 10.923 -10.653 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 -2.255 1.651 -21.886 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 1.615 3.380 1.058 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 1.975 2.419 4.017 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 4.218 0.728 1.663 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 2.619 -5.337 1.354 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 2.808 3.787 0.923 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 3.730 0.182 -2.020 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 -1.261 5.212 -1.700 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 -7.156 -10.952 -3.821 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 1.205 -7.710 -0.694 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 4.260 0.318 9.560 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 14.122 -17.964 20.005 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 -22.919 30.164 1.169 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 0.540 1.335 5.244 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 -11.732 23.386 -13.634 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 -4.267 -14.859 3.297 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 -1.437 0.557 0.330 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 6.106 7.331 -9.755 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 -4.174 10.713 9.972 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 6.768 0.949 -1.743 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 -15.912 -6.225 1.377 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 -15.862 -5.810 0.370 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 -0.403 3.927 -2.836 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 3.326 -7.888 -9.745 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 -12.489 -1.567 9.714 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 -0.187 -2.759 -1.220 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 -6.324 -12.862 -0.411 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 10.462 -8.618 -1.460 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 4.373 -4.327 5.782 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 -1.293 7.649 -1.267 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 -6.778 -14.406 7.097 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 2.511 0.255 3.247 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 20.172 -0.701 -10.194 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 4.673 -23.124 8.650 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 -5.630 -3.198 -2.684 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 -0.204 -3.094 -6.707 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 -5.037 5.365 10.209 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 3.041 -0.091 -1.958 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 10.655 -14.130 -5.477 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 7.458 -7.530 20.155 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 0.709 -3.438 -7.635 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 1.436 -8.274 -3.816 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 -3.074 1.211 -8.585 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 2.839 3.185 4.311 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 4.790 1.263 1.779 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 0.801 7.408 8.698 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 -2.276 3.397 -0.284 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 -30.149 -14.135 -17.393 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 -6.425 14.431 7.883 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 4.806 1.596 2.756 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 -1.552 20.698 9.967 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 -18.264 10.403 -20.562 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 3.271 -1.664 3.628 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 17.232 0.859 2.030 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 -0.561 5.514 15.051 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 -2.229 0.651 -2.030 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 -18.890 -6.692 -4.448 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 -6.246 17.144 -5.490 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 -1.335 -3.717 -0.068 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 -2.563 3.188 4.919 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 3.371 -0.858 -16.189 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 2.338 -0.185 2.620 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 -19.436 6.275 -25.649 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 -2.590 15.480 3.587 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 -3.808 3.311 -2.391 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 -3.286 1.408 -1.750 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 -2.826 4.541 -1.892 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 -8.968 2.742 8.165 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 21.294 2.215 -0.053 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 -16.685 3.168 10.356 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 0.581 0.554 8.062 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 1.819 -1.580 7.295 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 7.469 -19.850 7.156 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 7.003 2.184 5.982 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 -0.508 -9.618 25.832 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 4.049 -7.317 7.604 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 -2.971 5.403 -4.065 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 -20.630 17.067 1.851 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 -0.015 -8.699 -9.598 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 6.737 2.110 2.484 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 -14.884 -6.709 9.422 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 5.381 1.774 -21.750 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 5.793 -3.125 -2.846 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 18.084 2.429 -15.837 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 9.759 -22.582 6.836 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 5.700 -4.402 -2.410 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 4.766 -12.886 21.514 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 -12.277 5.185 0.360 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 1.244 -1.117 -3.146 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 -9.475 -14.676 8.109 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 3.344 -11.939 -20.812 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 0.515 -2.613 -4.673 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 15.686 -8.248 -14.166 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 -1.544 -4.722 1.559 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 0.354 -7.010 1.710 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 10.221 -14.499 7.558 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 -3.863 -2.664 4.745 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 -5.407 3.578 -1.212 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 -23.554 5.277 -17.540 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 -3.995 3.465 0.676 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 0.451 0.889 3.090 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 5.271 -1.041 2.292 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 -4.104 6.710 6.506 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 -3.599 -3.291 3.022 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 -1.613 -3.287 0.198 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 -1.101 -0.264 5.105 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 6.202 2.094 2.625 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 10.579 -2.259 4.242 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 -1.347 -6.797 -1.623 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 4.820 7.750 4.386 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 -9.990 -1.583 1.078 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 -4.244 19.000 -9.406 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 2.309 -4.402 -3.184 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 2.437 -14.887 -4.304 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 5.575 1.984 -1.336 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 4.351 -4.749 -2.263 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 7.164 -0.418 4.976 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 -3.099 10.336 -18.225 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 5.449 -0.582 -0.855 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 6.168 -2.945 -7.434 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 2.721 15.931 9.198 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 -0.390 0.341 4.016 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 3.998 3.665 7.934 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 -7.841 10.069 -21.260 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 -0.279 -1.455 -5.220 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 18.933 -2.320 -7.506 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 -4.856 -1.844 -0.414 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 -6.193 -3.708 2.092 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 13.595 -4.453 -24.511 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 -2.221 15.820 2.454 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 -0.872 6.444 -1.236 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 -7.851 11.550 12.018 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 -7.723 22.269 -0.315 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 -4.930 3.068 6.324 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 -14.528 -4.610 -0.861 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 18.115 21.532 22.934 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 1.467 0.876 -3.062 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 1.447 51.611 -4.332 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 6.887 -20.647 9.632 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 2.026 -1.600 1.454 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 -4.659 7.245 -6.951 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 -6.595 -2.738 6.545 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 6.126 5.207 2.557 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 -0.387 -30.464 7.416 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 -14.186 12.184 13.986 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 0.698 -1.655 -0.310 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 -13.499 2.272 1.496 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 19.776 -1.703 -3.112 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 4.046 -5.526 -2.546 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 19.814 11.110 12.371 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 15.002 7.799 -23.246 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 -0.624 5.915 -4.349 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 5.814 4.596 -14.069 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 9.924 1.693 -1.806 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 -4.587 7.949 1.694 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 -17.883 15.907 5.491 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 -1.483 3.963 -3.612 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 -1.627 -1.110 -0.815 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 -5.271 18.083 -0.339 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 -4.028 -27.038 10.344 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 3.898 0.747 -2.992 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 1.563 -11.654 -11.493 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 -7.427 0.406 9.694 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 -1.523 4.336 -3.754 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 11.089 5.416 -16.738 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 5.895 3.978 -8.597 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 3.093 1.232 0.432 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 8.928 2.671 4.852 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 1.056 2.987 1.304 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 4.052 8.952 0.257 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 22.110 -10.074 -0.880 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 -4.702 -1.315 1.025 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 1.260 -2.226 -0.839 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 -8.524 19.679 -2.466 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 4.024 2.972 14.847 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 -2.165 5.069 3.167 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 -31.743 -2.939 9.320 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 15.264 11.024 -1.384 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 -0.030 -4.521 4.067 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 -11.885 3.617 -0.651 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 -4.034 -0.839 -7.750 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 -1.793 0.480 2.672 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 20.346 1.262 17.421 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 -11.373 22.639 8.392 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 3.511 -2.231 0.627 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 12.776 0.913 -0.141 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 -19.737 -12.981 17.196 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 4.877 -0.013 0.159 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 6.561 -1.284 3.667 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 4.644 -3.775 -0.787 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 0.852 -1.369 3.253 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 -13.018 -3.726 2.119 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 6.156 3.644 -5.521 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 5.421 2.347 -1.209 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 32.569 -5.229 8.011 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 9.829 8.084 -30.889 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 -3.055 0.218 -9.301 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 -11.032 6.984 24.677 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 -6.639 -32.546 -26.960 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 3.580 -3.332 -3.316 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 6.207 -15.788 -2.228 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 -11.274 -24.409 21.667 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 2.892 2.675 2.154 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 -4.827 -14.432 -14.176 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 3.583 25.890 18.104 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 2.774 -4.444 2.569 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 5.326 -17.049 5.959 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 9.001 -2.011 -13.413 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 -0.756 -4.286 0.266 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 -7.369 -8.876 -15.380 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 -4.288 -6.787 7.523 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 -4.462 4.149 -4.055 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 -0.943 -0.254 5.023 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 -4.256 3.397 -3.758 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 12.204 1.036 -3.345 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 13.710 -23.563 2.663 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 8.510 -13.356 2.632 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 -8.207 1.994 4.318 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 -2.336 16.792 -23.279 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 1.066 -0.311 11.438 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 3.759 -2.731 -1.701 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 7.135 3.145 9.655 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 -0.090 -6.987 -20.482 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 -5.048 2.480 -1.301 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 -8.693 3.121 -5.865 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 -17.525 -2.268 -5.268 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 -2.265 -3.734 1.349 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 -4.144 28.239 9.698 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 -1.616 -26.106 -3.852 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 2.738 7.072 -2.550 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 15.075 -7.827 7.333 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 5.816 13.812 2.181 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 5.486 0.587 -1.519 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 -9.047 11.687 -0.963 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 29.159 25.616 -0.924 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 -6.988 -1.109 1.424 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 3.535 -18.851 -1.751 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 -9.110 5.058 -10.896 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 -1.255 4.117 3.300 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 -1.115 3.891 12.132 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 -2.183 -4.591 -8.935 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 -2.223 1.426 -0.157 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 -1.102 2.722 1.430 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 -14.490 0.996 -10.848 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 4.054 -7.187 2.995 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 -5.331 -8.237 -4.326 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 0.208 -11.525 -1.021 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 -1.463 -4.308 2.776 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 -1.940 -15.872 12.243 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 -19.670 1.188 26.990 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 8.032 -2.844 -0.616 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 -4.802 -6.483 23.120 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 -19.511 10.352 11.627 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 0.512 -1.362 -4.568 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 0.904 11.937 17.071 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 1.097 -2.849 -5.957 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 3.073 -0.424 1.163 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 -4.600 20.734 10.056 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 14.793 -1.315 -13.635 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 1.630 2.795 0.591 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 -5.617 -8.166 -5.050 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 0.688 1.887 0.440 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 4.327 -4.487 -3.233 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 -4.732 23.479 7.808 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 12.678 7.089 3.178 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 1.730 -4.434 1.193 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 8.641 -3.139 -8.099 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 0.933 -14.337 0.382 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 4.938 1.959 -7.215 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 -3.554 2.438 12.769 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 -9.756 6.026 16.494 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 8.906 -1.466 -7.513 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 2.988 5.560 -7.246 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 10.828 -13.784 -6.942 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 -2.352 0.183 -4.447 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 5.576 -26.474 -0.529 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 -7.917 2.516 2.054 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 0.791 -1.423 -4.753 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 -5.598 -10.978 -0.579 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 4.854 3.521 6.441 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 0.738 2.154 -0.170 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 6.068 -16.889 -3.418 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 11.522 -1.504 6.311 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 -5.195 3.503 -2.924 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 -14.478 -19.428 -1.022 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 1.939 9.595 8.093 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 6.768 2.181 6.296 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 3.852 4.279 10.643 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 22.242 -10.851 -13.607 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 1.322 -6.674 1.438 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 -1.445 -11.654 -17.756 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 0.771 6.946 19.573 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 1.343 -2.489 -0.172 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 -12.135 10.792 -27.024 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 -3.045 7.640 0.337 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 -4.081 0.823 -4.682 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 0.126 -3.295 -15.428 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 -6.582 4.310 3.642 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 -5.214 1.974 -2.667 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 -2.846 -4.003 -6.191 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 -21.303 0.459 -16.039 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 -5.008 -1.569 2.465 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 7.037 11.132 -15.812 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 12.926 -11.457 13.263 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 -5.556 -7.198 -0.743 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 5.086 11.526 7.056 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 -7.781 -33.528 32.779 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 3.661 -0.095 3.885 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 4.442 -4.604 3.978 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 2.890 5.934 3.271 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 4.164 6.571 1.337 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 1.483 4.588 16.989 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 4.112 0.486 4.698 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 -7.209 1.714 0.409 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 -4.869 -7.859 8.057 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 -4.190 -3.510 -9.480 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 -2.887 3.763 0.761 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 0.141 15.001 -10.020 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 -10.701 11.995 10.087 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 2.065 2.519 4.290 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 -21.173 2.409 -7.735 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 5.533 2.969 6.407 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 0.567 4.231 -0.776 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 13.054 11.290 0.747 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 -15.629 -1.549 12.213 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 -1.544 0.270 -2.126 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 -0.887 10.333 7.832 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 -11.720 -4.655 10.768 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 -0.118 -5.126 0.641 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 -4.811 -33.605 -19.344 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 -24.709 -7.368 -15.530 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 1.867 1.424 5.569 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 12.875 -18.382 -24.605 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 22.372 -0.728 4.270 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 1.742 -2.084 -1.542 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 4.499 -1.529 5.162 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 6.258 0.853 14.925 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 -0.097 11.492 5.129 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 17.064 -0.665 10.237 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 -8.298 -4.021 -0.470 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 -2.805 -6.471 -6.430 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 -6.883 0.738 -4.851 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 -0.328 -13.920 -13.629 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 2.642 1.179 6.218 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 1.667 -4.174 12.730 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 13.609 7.224 5.506 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 -0.073 4.880 -1.188 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 19.413 4.637 0.815 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 -9.043 -22.476 -2.083 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 0.299 3.129 -1.740 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 -4.393 5.200 -6.821 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 8.891 -8.328 -19.345 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 -2.068 0.045 -4.000 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 0.580 -2.856 -3.286 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 -0.493 -0.595 -0.745 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 9.732 -1.841 5.089 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 14.110 -8.484 18.125 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 -0.399 4.328 -23.424 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 3.684 -1.218 -3.124 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 -8.875 1.007 4.687 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 7.996 2.014 5.635 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 6.360 -4.615 -2.054 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 -3.017 4.494 32.597 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 -3.134 3.924 26.301 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 3.751 -1.079 -0.136 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 23.966 6.343 -4.856 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 -6.636 -8.257 -1.469 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 -4.883 2.010 1.255 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 0.619 19.931 -0.085 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 -10.898 -11.124 7.464 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 0.299 0.460 -1.538 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 3.191 14.151 12.511 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 1.121 -8.716 0.217 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 -1.631 4.914 -1.148 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 18.587 9.013 6.259 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 -1.169 1.836 -6.585 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 -1.833 -1.649 1.981 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 -9.410 11.343 5.545 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 -3.445 -0.457 2.902 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 1.642 0.455 4.978 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 2.693 11.263 0.425 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 8.533 8.267 1.506 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 4.144 2.858 -0.276 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 5.377 -17.710 -4.330 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 1.836 15.410 0.040 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 2.330 4.122 7.608 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 -2.155 11.836 6.033 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 -6.538 1.316 -11.782 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 -4.316 -2.558 -3.302 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 -10.534 -2.962 6.740 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 3.693 2.765 -4.969 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 1.629 3.489 -0.401 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 11.690 23.093 -15.447 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 19.909 22.835 -15.493 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 -0.756 0.372 -4.700 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 5.745 -1.139 -6.416 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 -5.218 1.030 -16.395 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 3.515 0.832 -0.039 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 -3.872 3.108 6.140 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 -0.037 0.732 5.445 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 -1.000 0.762 3.094 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 2.781 -11.058 3.274 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 -5.124 -3.925 7.410 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 -0.260 2.009 6.125 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 -14.904 1.542 -6.466 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 12.499 17.823 16.278 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 2.038 4.493 1.525 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 -4.832 14.542 19.270 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 1.065 12.739 12.587 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 5.614 -1.915 4.513 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 6.241 26.615 32.310 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 3.778 -11.650 -7.418 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 4.907 -5.152 -5.352 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 13.079 -2.210 13.539 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 1.795 -10.775 -2.522 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 -1.893 -2.626 -5.952 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 -13.751 -19.727 6.333 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 -13.348 -5.962 2.469 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 2.887 -1.059 -2.632 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 20.872 7.443 -1.763 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 -30.027 -11.117 6.560 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 -9.866 1.717 5.505 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 -14.896 -10.373 0.728 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 -1.720 5.474 20.159 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 -1.098 -0.038 -7.675 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 -14.215 5.007 -11.268 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 -5.542 6.612 11.887 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 0.088 -1.587 4.080 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 6.433 -13.064 -1.455 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 -6.136 5.856 -8.309 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 3.005 9.064 2.364 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 -13.577 11.437 10.323 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 -7.724 -0.711 7.575 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 -2.216 4.789 -0.236 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 -8.240 13.313 -8.133 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 -7.743 13.243 26.564 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 1.670 -3.033 2.424 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 13.840 -3.535 7.706 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 3.694 4.532 -8.762 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 -7.220 -2.300 1.232 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 -9.329 -6.883 1.299 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 -8.132 -0.493 5.552 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 1.632 -8.341 -0.792 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 9.576 -7.855 2.403 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 -6.051 -7.647 5.561 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 -6.131 -0.792 -8.945 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 -14.261 6.022 -11.451 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 12.938 -14.083 2.318 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 -7.464 2.996 2.460 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 2.087 -7.596 7.434 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 0.962 31.268 7.883 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 8.391 -1.985 -4.374 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 -28.478 3.716 8.252 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 12.609 -2.965 -3.372 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 0.863 0.973 5.487 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 27.603 -0.279 0.233 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 -26.266 31.708 0.572 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 0.257 3.312 3.639 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 2.746 26.604 -10.773 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 -11.035 -12.958 16.293 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 1.969 2.400 6.035 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 -1.024 2.737 -7.816 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 -29.104 1.092 4.581 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 1.503 -3.643 5.640 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 -8.394 -5.519 9.255 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 20.171 -1.134 -4.706 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 -4.018 -0.282 0.883 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 -0.695 10.411 0.609 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 -12.395 8.889 6.017 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 -8.813 -7.722 -7.783 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 -12.546 -20.260 -16.966 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 -13.533 10.218 -17.568 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 4.299 0.412 6.505 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 5.148 8.270 3.485 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 -1.839 -2.617 3.152 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 -4.078 -1.769 5.470 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 -0.978 7.840 -2.307 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 -0.895 -4.460 3.392 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 -7.531 1.524 0.157 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 -25.795 -25.505 3.107 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 -6.673 -5.363 -9.520 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 0.279 2.609 2.359 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 -6.613 7.358 -10.925 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 14.277 -4.274 -7.519 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 4.953 -6.281 -1.210 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 4.775 0.123 -2.830 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 24.302 -4.739 -7.760 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 -0.612 -3.743 3.349 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 -9.225 -22.741 27.422 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 -7.332 -3.146 -36.007 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 7.953 5.694 0.296 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 -3.354 16.042 5.985 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 4.428 -6.549 -10.908 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 -0.208 -1.219 2.100 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 6.068 -6.419 -19.456 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 -15.459 11.110 -2.538 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 3.265 8.371 -1.516 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 -10.302 19.842 -0.318 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 -11.574 16.804 1.477 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 4.355 -0.835 1.591 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 -3.868 -3.557 0.219 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 10.421 2.829 -16.863 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 0.622 2.897 5.581 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 -10.044 -1.583 33.805 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 7.775 5.657 -14.722 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 7.356 3.184 6.856 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 10.170 4.565 -18.102 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 7.021 14.717 -18.836 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 -0.066 4.966 7.197 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 -0.791 5.516 6.240 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 -8.265 -7.376 -3.260 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 0.451 5.417 -4.632 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 -14.038 14.970 15.338 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 -10.266 13.532 8.532 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 3.876 -3.769 -0.102 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 3.694 -0.435 0.872 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 3.575 -14.488 -12.994 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 -10.269 5.736 -1.309 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 -3.162 3.359 2.706 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 -3.065 2.083 -12.111 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 -0.489 -2.193 -1.728 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 2.327 2.204 8.201 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 -9.140 -3.026 -0.366 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 3.607 -3.301 -1.236 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 -16.413 -8.492 4.446 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 8.864 13.420 12.172 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 -2.560 -5.253 6.440 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 -3.163 -3.843 5.699 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 -2.433 -10.271 9.255 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 0.915 -1.141 0.811 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 -0.836 12.545 0.002 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 -18.770 1.006 26.920 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 0.417 0.497 -2.023 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 -8.258 -11.998 -6.138 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 15.102 -19.666 -18.219 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 5.541 -1.999 -4.062 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 11.935 -10.775 -2.477 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 -4.712 8.261 -13.002 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 1.859 -2.531 -1.676 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 -23.126 3.396 -10.867 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 11.991 -4.787 2.258 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 1.360 1.659 4.132 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 0.747 -10.480 7.193 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 27.826 4.955 20.891 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 -3.055 4.083 1.511 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 -27.019 19.532 7.612 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 5.222 3.414 4.103 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 0.936 -4.873 -0.951 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 10.122 -1.798 1.470 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 -5.332 0.976 -9.654 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 5.597 -0.129 -0.292 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 -13.450 10.092 -17.656 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 -4.448 8.779 5.487 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 -0.730 1.543 1.140 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 6.225 -5.352 -8.931 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 -12.996 7.553 0.092 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 1.102 0.999 -2.056 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 5.662 -17.525 -0.037 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 -11.726 -12.520 13.560 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 0.874 1.559 1.445 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 -15.515 4.564 2.655 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 -7.884 -8.517 -10.365 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 3.738 7.143 -2.590 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 10.265 -17.776 -10.786 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 6.749 3.511 1.375 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 -2.857 -1.868 -7.955 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 -6.925 5.775 2.909 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 10.158 -26.514 8.619 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 -0.301 2.648 1.636 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 -5.270 17.059 9.516 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 5.855 -16.592 -5.081 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 -2.006 -3.400 -0.929 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 1.210 -6.827 -16.140 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 -3.210 -0.672 3.282 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 1.353 9.404 -3.678 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 8.028 17.303 -1.300 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 13.692 -9.317 6.601 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 5.839 -5.992 -2.807 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 31.388 -14.015 -21.725 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -20.675 5.781 10.257 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 -3.681 -0.828 3.192 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 1.899 -7.235 9.200 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 12.338 1.256 10.117 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 1.696 2.186 2.001 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 4.821 7.116 3.537 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 7.255 -1.913 0.879 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 3.952 0.184 5.622 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 14.816 16.149 -8.965 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 4.154 11.731 -3.855 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 4.285 -5.979 -3.727 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 -4.887 -7.668 1.185 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 1.515 -5.522 -2.289 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 -0.143 -2.291 4.565 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 4.664 2.426 10.120 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 -0.487 -5.522 6.100 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 -1.403 -6.537 -2.138 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 11.889 -10.176 5.853 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 7.364 -8.734 1.644 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 -7.520 -3.459 5.066 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 -39.219 -0.543 23.492 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 -19.668 8.219 -2.082 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 -4.652 0.797 -5.555 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 -22.387 -19.998 4.853 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 -15.352 -5.142 -10.325 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 0.483 6.492 -2.106 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 27.581 6.950 8.023 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 -2.014 7.182 -5.009 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 6.896 -5.364 -7.329 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 -5.233 2.028 -4.195 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 25.660 1.711 -9.366 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 1.413 0.996 -1.974 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 19.578 9.625 -10.056 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 15.936 -7.165 -22.356 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 -2.672 7.070 1.021 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 17.409 34.528 3.632 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 -4.035 3.934 0.625 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 -0.255 -2.483 -1.546 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 16.832 5.629 -6.927 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 -5.974 -0.960 5.167 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 0.124 -3.631 1.403 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 8.858 2.765 -2.202 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 -4.359 2.759 -0.595 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 -0.195 1.219 -1.331 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 -10.480 8.578 -0.002 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 6.008 0.517 12.299 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 -3.624 0.544 4.691 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 -18.154 -2.541 9.893 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 -5.715 0.418 -10.525 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 -4.510 2.104 3.211 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 -1.576 -11.764 6.569 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 -6.089 3.909 -0.672 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 0.462 5.737 -6.999 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 5.982 10.083 -11.824 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 3.559 -4.265 -6.227 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 2.977 3.337 1.456 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 -14.236 -20.910 8.700 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 4.978 6.701 -0.658 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 -6.656 -6.997 -2.588 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 15.245 -3.497 9.947 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 -1.059 -1.107 -25.343 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 2.108 -0.799 -1.242 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 -5.616 2.576 -13.911 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 0.576 -1.817 -3.830 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 0.888 -2.583 2.623 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 -16.835 -2.266 15.787 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 -2.476 -12.351 -6.956 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 1.658 1.669 4.249 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 15.609 9.476 -0.608 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 -9.934 4.200 29.275 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 5.243 -0.525 -5.537 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 15.829 -8.035 -9.098 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 -9.801 1.276 -22.928 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 4.312 -0.536 1.571 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 -11.348 -4.905 6.263 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 17.049 -10.329 -8.858 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 1.902 -5.448 -4.562 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 -0.181 -4.173 -5.796 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 -0.114 -11.009 3.232 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 3.182 4.527 -3.722 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 -16.124 -9.164 -2.136 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 -8.943 16.191 2.867 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 -3.492 -3.528 -1.143 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 24.422 -21.866 -20.847 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 -19.690 -5.489 -27.773 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 -3.377 0.169 0.976 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 21.561 5.918 0.568 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 11.837 2.853 -4.515 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 1.594 -3.644 -4.112 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 -8.449 -11.052 0.432 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 5.877 3.916 6.235 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 -3.651 4.396 -4.274 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 -7.283 -34.007 29.067 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 -1.638 -23.906 -4.619 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 4.314 0.059 -1.857 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 9.716 -12.362 -9.335 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 18.445 1.922 21.985 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 -0.785 1.346 -1.058 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 -4.492 -4.346 5.190 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 16.852 -29.032 7.369 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 1.052 6.335 -2.035 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 -5.066 11.200 -8.017 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 14.237 -16.996 16.223 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 7.138 2.759 -3.106 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 -2.346 4.697 -17.400 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 5.521 -33.493 -20.677 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 3.589 3.914 5.333 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 23.357 3.075 -0.243 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 2.202 -28.593 13.473 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 0.324 -0.943 -1.215 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 -1.361 -21.979 7.752 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 -5.860 13.356 15.118 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 -2.089 4.646 3.791 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 10.390 -24.215 0.542 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 -12.227 7.826 -9.406 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 1.942 0.675 -1.306 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 18.024 8.432 27.454 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 -20.194 1.617 -2.847 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 6.027 -1.497 -0.588 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 -6.229 -27.077 22.418 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 11.319 11.021 -4.212 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 -0.227 -2.757 -3.847 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 -2.432 -7.030 -3.136 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 -2.524 -7.026 -2.976 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 5.393 -6.357 0.678 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 9.841 4.463 19.879 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 -10.501 3.435 -10.588 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 -1.484 0.345 -6.096 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 -5.324 4.946 -10.009 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 -5.233 -1.444 0.437 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 -9.131 6.055 5.292 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 -0.842 3.373 6.506 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 -12.687 4.368 -13.701 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 15.720 -0.824 2.280 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 8.858 -6.008 23.608 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 0.770 -33.611 6.268 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 0.257 -1.397 1.030 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 7.953 18.664 19.140 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 -0.617 -3.590 -0.970 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 1.281 -1.093 1.792 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 6.224 -0.304 7.144 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 11.280 -8.064 -1.648 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 0.884 3.057 1.175 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 13.365 10.076 -8.574 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 7.251 -11.205 5.612 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 -2.516 -0.233 -1.524 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 -9.092 1.259 4.317 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 -4.062 5.086 -12.657 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 -2.542 9.169 -3.375 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 -2.719 12.316 -3.998 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 -11.000 -3.076 11.324 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 -3.038 4.582 -5.243 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 2.429 -0.600 -3.638 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 26.895 -10.165 -4.895 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 3.106 -1.240 0.227 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 23.854 -11.465 7.302 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 -19.692 1.006 -7.928 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 1.110 -0.018 -2.030 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 3.601 -2.612 0.681 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 -5.287 -4.069 -7.351 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 1.572 0.251 -5.331 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 11.818 0.999 -16.669 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 1.871 -22.017 -9.415 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 2.877 7.826 -0.530 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 18.909 -19.408 -4.574 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 0.403 21.310 14.290 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 -2.422 -0.849 -4.955 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 10.794 4.415 12.663 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 -3.922 6.400 1.844 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 -4.315 -6.807 1.030 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 -0.992 8.315 -25.872 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 -16.180 -18.483 -6.754 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 4.848 9.160 4.275 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 -20.627 -1.190 19.517 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 43.204 -10.221 -15.156 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 0.909 2.186 -2.188 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 -16.701 8.493 -10.980 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 12.017 -3.590 1.389 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 2.877 1.365 3.470 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 26.462 -4.730 -6.449 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 27.713 -25.105 18.057 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 -0.725 -4.448 -0.093 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 -4.176 -1.685 -1.504 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 2.340 -11.632 -8.426 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 -5.371 -1.901 3.646 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 -9.466 0.467 11.206 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 6.277 17.613 6.000 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 0.042 0.223 -3.166 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 -15.321 -21.854 1.569 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 7.837 5.533 -3.709 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 -7.070 -5.797 -0.852 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 6.178 9.651 18.118 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 -8.139 4.066 0.409 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 -0.238 -2.563 -3.917 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 0.870 8.918 -0.556 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 -2.818 -5.566 -5.916 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 3.954 3.482 1.469 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 -21.126 -9.425 6.024 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 11.723 6.626 2.277 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 -1.104 3.567 0.221 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 -1.156 -13.040 -16.696 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 -2.866 11.117 5.279 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 7.635 1.728 -4.653 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 16.019 2.383 -30.798 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 -2.993 10.619 -23.793 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 -2.234 -1.272 3.377 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 5.960 -10.092 11.296 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 -15.460 -6.581 1.817 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 -2.716 3.415 0.640 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 -2.949 0.727 3.119 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 3.920 11.000 0.138 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 5.637 2.475 5.169 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 5.721 -5.040 7.613 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 11.591 -25.719 20.598 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 -3.568 -4.154 -2.528 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 -6.389 1.346 -5.604 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 -34.479 9.144 -0.405 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 -7.175 8.549 4.194 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 -6.247 -20.127 -4.128 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 11.286 5.516 -2.667 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 4.490 -4.369 5.562 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 30.459 1.003 -1.460 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 9.325 1.857 -9.549 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 0.696 0.838 -3.613 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 -14.965 21.696 3.433 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 -8.373 -5.799 -22.939 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 -4.427 -0.720 0.372 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 -12.004 9.840 2.004 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 -3.848 -10.703 1.682 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 -2.184 -0.586 -5.404 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 -8.452 -15.057 -10.401 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 -20.559 12.524 13.230 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 6.384 0.925 -7.999 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 -13.035 -29.276 -0.950 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 4.180 1.232 17.255 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 -5.247 -1.440 6.435 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 14.478 -3.349 1.938 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 5.399 8.471 17.681 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 0.631 -4.231 -0.520 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 0.621 -0.503 -0.738 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 15.675 -2.620 4.648 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 1.118 -5.618 4.937 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 -29.046 -21.728 -31.375 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 -1.299 -5.761 3.244 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 -0.921 2.493 6.299 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 -4.782 3.603 -4.946 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 1.931 0.674 -3.332 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 0.478 3.931 2.627 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 4.366 -4.519 -7.333 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 13.615 4.871 7.923 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 0.056 5.573 5.641 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 7.435 -7.704 -11.211 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 2.220 -33.165 -4.206 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 0.336 -3.339 -1.544 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 -12.513 10.960 16.607 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 1.621 -13.903 -16.056 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 2.304 2.927 2.207 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 -12.065 22.518 -16.252 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 -12.109 36.146 -22.771 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 -4.762 5.202 -3.110 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 -14.236 1.361 -11.941 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 2.742 14.196 -2.346 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 8.582 -1.657 -1.106 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 -21.121 -1.031 9.813 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 17.721 8.583 -14.750 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 4.871 2.416 2.592 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 7.758 5.636 12.272 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 14.995 3.543 -2.755 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 -6.352 4.887 -4.060 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 30.448 2.955 15.281 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 6.571 -9.878 -5.039 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 11.064 9.582 -1.928 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 6.245 22.723 -0.083 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 -6.914 6.097 5.464 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 -8.844 -8.036 -5.309 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 10.825 -18.318 -3.414 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 15.350 -23.915 22.300 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 -2.362 -0.160 4.756 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 13.076 -13.781 22.997 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 -4.439 22.502 14.539 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 -6.902 3.227 -4.487 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 5.452 -8.896 -6.520 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 4.253 11.462 11.875 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 0.662 -0.991 3.902 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 -17.033 -6.484 -4.330 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 7.798 10.529 12.437 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 0.069 0.121 5.620 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 2.572 -1.211 6.930 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 -0.408 -0.535 7.579 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 1.468 3.106 2.065 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 -4.686 3.553 12.513 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 7.827 -4.866 4.146 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 3.962 2.111 -4.572 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 -0.526 8.000 -3.446 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 8.707 -24.311 6.388 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 5.451 -0.962 -1.393 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 15.979 -21.557 4.649 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 -5.137 27.615 11.284 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 -5.404 -6.248 -1.430 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 0.183 -9.378 0.763 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 -22.222 11.359 -7.234 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 2.564 5.780 2.590 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 -0.860 -2.020 17.403 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 -0.480 5.972 0.322 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 -2.319 5.700 6.930 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 22.693 0.898 -4.652 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 -49.137 15.319 22.983 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 -3.425 -7.648 1.100 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 -5.742 -12.030 -1.159 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 -1.561 -14.302 -2.620 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 -0.406 1.881 3.534 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 -12.566 -17.905 9.732 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 9.038 8.361 6.472 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 -1.013 7.798 0.239 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 14.989 -3.757 -3.955 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 27.627 -17.189 -6.249 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 5.337 6.171 0.405 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 8.462 6.553 -0.891 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 10.098 3.740 -10.840 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 1.492 -0.501 -1.235 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 13.933 6.250 6.161 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 0.591 -10.331 4.173 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 -7.560 -0.363 -3.215 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 -6.624 11.141 -2.437 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 -6.483 -16.186 13.500 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 -4.061 1.922 -0.448 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 19.440 -18.351 -7.629 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 29.551 -3.066 -5.714 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 5.597 -2.351 -1.340 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 3.653 -19.314 -3.860 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 -5.487 2.473 -2.435 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 2.489 -0.849 -3.384 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 7.423 -23.020 -9.916 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 -4.671 3.278 -25.612 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 -0.021 0.513 1.965 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 13.380 -15.205 -3.862 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 2.164 17.615 -2.806 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 -1.480 6.808 -4.745 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 14.442 -9.349 26.825 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 11.495 0.569 -29.534 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 -2.391 -2.139 -2.834 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 5.034 -13.528 2.829 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 -14.572 -3.887 -10.356 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 -1.413 0.696 5.690 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 24.566 -9.195 -11.718 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 1.806 16.083 27.946 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 4.416 -2.616 -3.160 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 11.847 -10.542 -1.219 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 -11.921 1.283 1.999 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 -1.712 3.859 -4.391 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 -5.561 0.853 5.825 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 -5.538 5.617 8.657 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 -2.914 -0.721 -1.478 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 -23.792 7.506 6.336 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 -1.170 -19.129 25.564 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 -0.085 1.892 -6.450 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 -18.603 16.862 3.032 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 12.356 14.987 3.707 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 4.121 4.019 6.794 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 0.970 3.136 9.830 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 9.788 6.169 -5.511 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 2.254 0.150 -6.702 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 10.128 -9.001 -0.510 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 -5.695 -6.718 -13.718 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 0.514 0.423 9.892 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 10.869 2.572 15.867 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 9.815 -0.891 6.720 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 0.150 2.850 4.596 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 6.852 -21.071 -1.197 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 -5.841 17.126 -2.290 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 1.753 6.071 1.119 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 -31.481 -14.251 -5.072 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 15.353 11.558 0.679 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 -2.340 -1.026 -2.774 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 9.861 3.417 -11.939 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 5.867 0.613 2.229 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 8.605 3.418 0.085 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 33.299 -3.126 -3.050 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 10.884 2.753 -7.478 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 -0.260 -1.116 2.861 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 -28.271 2.544 -4.384 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 0.586 -24.691 14.807 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 1.160 -0.917 -0.317 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 0.275 -1.285 2.068 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 -10.820 9.511 39.484 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 -3.464 4.187 -0.771 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 -2.870 -0.820 4.813 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 -7.995 -0.532 2.292 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 -5.009 5.902 -1.755 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 29.499 -0.449 -9.633 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 6.149 4.450 3.069 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 3.353 -5.246 1.358 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 -11.615 -7.597 7.190 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 -20.451 -8.955 11.115 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 1.789 4.473 -5.370 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 6.660 -2.236 -30.884 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 6.921 27.890 -26.555 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 0.590 -0.976 5.096 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 -9.974 7.687 2.422 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 7.795 -9.467 22.316 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 -0.145 1.288 -2.263 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 -12.241 -1.633 -35.489 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 10.873 -27.265 7.272 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 2.137 0.635 1.371 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 1.190 7.356 0.711 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 7.767 7.712 -6.728 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 7.261 -3.965 -2.946 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 12.562 -4.766 -4.318 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 17.482 -0.691 0.979 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 -0.517 -2.574 -4.352 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 -9.999 3.030 -1.548 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 8.931 -0.756 -6.065 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 -5.586 6.140 -6.836 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 7.894 -3.456 -18.415 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 10.804 2.921 9.227 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 -4.202 1.506 1.197 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -9.025 21.687 7.483 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 19.152 1.039 2.653 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 2.071 5.642 -3.466 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 -0.847 -11.340 -12.336 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 -8.474 1.411 10.254 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 -12.066 -2.968 6.120 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 -15.182 -1.799 7.318 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 -12.647 -1.830 2.395 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 -2.003 8.247 4.220 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 -3.017 15.186 1.034 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 -11.867 25.892 19.316 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 -3.254 -5.085 1.846 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 13.430 26.732 13.174 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 -6.499 -11.725 -5.210 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 -2.779 -3.558 -3.876 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 -13.722 -0.124 -12.923 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 1.786 3.063 -8.232 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 1.435 4.001 3.697 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 15.862 0.784 -4.003 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 12.028 -4.547 -7.408 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 5.973 1.566 -3.281 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 -3.160 2.575 7.417 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 -7.818 12.548 -10.555 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 0.189 2.901 0.664 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 12.356 10.479 -7.761 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 -2.099 -13.697 4.577 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 0.563 6.017 1.476 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 1.977 24.449 3.689 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 10.547 3.674 -0.789 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 5.944 -5.607 -9.676 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 9.840 8.204 27.501 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 16.286 -4.016 11.536 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 -3.781 1.189 -0.967 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 22.015 27.807 10.391 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 -24.570 24.638 0.424 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 -0.035 -2.307 6.711 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 -7.316 -4.416 -1.559 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 -8.388 -1.196 3.915 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 3.221 0.630 -0.641 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 2.147 6.965 -2.670 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 0.675 -2.224 0.234 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 -2.244 -1.400 -2.675 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 7.338 -11.547 -5.444 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 -18.353 -5.664 0.088 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 1.137 -3.362 -3.378 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 15.295 -13.916 -22.207 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 4.889 17.569 -18.310 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 2.913 -2.496 0.865 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 7.886 -4.641 14.097 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 -14.530 8.782 -0.470 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 5.851 -2.430 4.028 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 2.134 9.048 -5.851 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 -12.156 -10.896 -12.714 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 5.420 7.892 1.051 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 31.248 -8.101 2.690 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 -1.360 1.566 9.847 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 -1.132 -0.818 -8.057 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 -43.544 29.195 -22.123 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 24.751 -3.340 -26.077 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 0.000 1.707 -4.783 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 10.631 7.711 -14.471 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 -8.781 2.431 12.146 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 -5.693 -1.330 -2.759 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 -6.559 0.520 -1.961 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 -3.735 0.412 1.382 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 3.026 4.873 3.159 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 8.065 17.721 -14.946 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 1.369 4.361 -13.132 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 1.832 -4.919 0.667 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 -12.727 -24.410 24.448 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 3.643 -5.031 -15.681 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 4.497 1.178 -1.710 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 1.141 0.443 6.641 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 -4.704 19.200 -17.556 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 2.193 -3.366 3.032 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 -12.459 1.215 -25.902 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 -17.389 21.952 8.314 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 -3.095 -3.484 6.445 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 14.899 -9.887 5.466 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 -4.703 -2.721 6.465 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 -3.080 -5.790 -0.314 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 -20.801 -14.811 5.068 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 19.323 10.970 9.419 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 -0.183 -1.967 1.478 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 4.138 -9.817 24.226 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 -7.472 8.167 -28.417 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 1.390 -1.556 -1.247 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 13.072 -1.488 2.806 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 7.953 -13.129 3.053 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 3.561 0.614 6.871 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 10.403 -14.976 5.537 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 0.115 1.073 -6.087 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 -0.416 1.926 -4.583 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 1.004 -14.791 10.832 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 -2.715 -5.667 -0.641 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 1.358 1.602 0.319 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 -7.494 2.860 -1.452 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 2.590 -5.773 -3.206 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 -1.235 3.087 3.414 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 15.532 0.211 -6.718 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 -9.387 8.036 -11.204 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 -7.337 -2.136 1.926 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 -17.499 27.909 -8.340 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 -21.790 14.141 -2.944 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 -2.523 6.406 0.752 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 -2.742 3.354 -18.989 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 -15.177 2.150 -12.173 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 4.208 3.845 -6.723 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 26.976 11.906 11.513 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 -12.620 -13.486 -12.511 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 1.934 3.235 -1.340 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 -6.171 16.498 -13.636 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 0.287 -30.424 4.114 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 -1.400 -2.214 1.813 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 16.234 -9.488 7.073 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 -4.192 14.768 20.348 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 -1.753 -5.439 5.271 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 -8.046 5.766 -13.262 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 10.341 -0.415 21.779 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 1.438 3.034 0.651 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 20.528 5.542 19.904 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 -11.388 -0.464 -23.327 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 -3.413 9.795 -3.418 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 -1.033 3.747 -4.587 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 4.024 6.101 3.701 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 4.457 -6.867 8.261 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 -13.187 2.124 17.203 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 2.385 12.935 -2.461 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 3.202 8.109 0.522 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 13.842 12.040 -19.331 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 -15.971 22.449 6.194 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 -2.918 -2.175 3.129 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 -3.874 4.913 8.235 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 4.048 -8.487 -5.344 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 3.941 3.393 -0.724 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 -20.054 -2.994 10.342 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 -4.190 12.411 -24.839 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 -4.445 -3.118 0.383 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 -0.414 4.360 -1.928 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 -13.368 11.862 -14.497 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 -2.668 1.085 -3.266 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 2.367 -0.507 8.538 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 -1.567 -11.959 -10.758 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 -0.950 -2.978 1.757 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 -0.323 -3.523 2.556 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 4.367 -3.570 6.476 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 3.866 2.438 -3.141 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 -6.133 1.042 -6.916 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 -5.864 -2.535 3.489 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 3.427 2.129 -3.815 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 4.843 16.294 3.170 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 3.899 1.013 -21.322 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 -1.279 6.292 -6.964 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 -2.547 11.043 7.378 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 -11.093 17.258 -18.919 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 -3.860 5.677 -5.162 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 6.269 -5.721 20.353 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 9.508 15.456 18.984 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 0.425 -1.491 2.308 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 1.769 4.962 -3.843 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 11.799 -13.246 13.078 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 -0.149 -1.396 -1.860 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 -2.531 10.044 -7.596 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 11.819 3.599 -7.470 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 -0.016 -9.161 -1.251 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 6.620 -2.273 2.834 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 6.666 0.981 -0.060 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 1.534 1.318 2.192 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 10.108 1.504 -1.475 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 3.817 -2.941 2.439 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 5.128 -0.331 -0.223 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 -7.156 15.115 -9.528 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 7.444 -21.737 -8.403 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 -1.475 2.838 -0.168 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 0.798 -13.417 19.014 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 -11.722 7.441 -0.470 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 2.527 -0.218 -3.895 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 -13.950 -0.553 -37.114 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 -3.746 -0.524 -17.195 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 -1.190 4.524 5.356 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 7.965 17.107 0.065 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 -17.926 -13.008 14.678 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 9.687 -4.763 3.418 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 11.938 -4.855 0.708 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 -2.992 -9.011 16.797 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 3.618 2.670 -2.797 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 13.808 15.236 -27.097 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 6.201 6.813 -15.012 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 3.120 -0.624 5.914 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 6.866 -3.701 4.211 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 3.919 -1.501 7.618 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 -2.789 -2.547 -4.689 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 17.852 -0.175 -0.002 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 12.703 2.020 16.096 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 -0.800 2.329 4.945 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 -0.286 3.110 4.657 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 -5.676 1.848 7.269 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 -0.794 1.255 -5.321 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 36.824 6.602 -7.987 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 9.083 6.310 -3.028 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 2.119 0.612 2.308 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 -3.833 -12.034 -11.288 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 10.011 -11.432 23.255 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 4.843 -3.416 -3.594 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 -39.289 10.840 -7.888 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 20.967 13.359 15.709 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 6.085 2.172 -2.556 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 4.272 3.412 -1.310 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 -28.684 30.000 7.635 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 -3.401 -3.100 2.494 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 -1.201 0.352 -0.005 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 11.794 0.716 -6.550 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 0.094 2.560 3.075 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 12.894 -1.936 6.143 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 -5.344 20.094 33.588 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 0.510 -6.724 -1.094 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 12.057 -14.434 4.659 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 7.070 8.068 -8.588 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 0.123 -2.982 -6.617 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 -5.840 14.406 -4.692 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 6.280 4.666 -2.206 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 -6.669 3.015 -5.372 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 -14.791 -2.003 -7.314 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 -25.111 -12.931 -6.022 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 3.755 0.729 -1.206 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 5.630 23.454 8.271 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 8.737 -6.741 -12.996 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 -6.442 -2.226 0.394 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 15.593 -13.923 -0.379 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 -11.754 3.347 5.150 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 -0.926 1.737 2.481 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 -11.459 -7.921 8.671 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 10.204 3.316 1.461 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 -5.100 1.814 -4.676 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 -19.844 2.948 18.149 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 -1.616 1.602 -11.634 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 -3.555 3.635 6.711 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 -19.692 15.196 1.984 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 28.366 -12.753 -5.512 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 0.622 -2.364 -1.741 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 -13.105 16.692 5.199 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 -8.521 12.141 21.165 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 1.870 -8.284 -6.266 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 3.432 -2.576 -7.832 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 4.942 2.371 -18.732 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 -3.089 4.709 5.838 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 -2.979 -3.644 1.354 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 -1.734 -0.984 13.668 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 -4.127 -1.157 4.693 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 6.268 -6.725 3.641 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 -11.808 -8.693 9.972 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 6.166 0.135 6.563 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 4.629 1.375 1.099 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 6.465 -0.782 12.874 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 7.395 -5.227 -1.606 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 -9.420 -6.185 0.690 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 9.892 -6.550 4.363 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 0.018 1.234 -7.743 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 4.947 3.226 -7.334 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 -12.849 10.386 -4.886 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 -4.000 -6.133 -1.013 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 0.521 5.493 -9.070 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 -15.092 2.795 6.817 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 -0.403 -3.803 -0.708 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 -0.633 -4.489 -16.523 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 -3.674 5.528 2.398 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 -1.455 -2.771 6.109 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 -11.617 -3.260 23.265 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 16.789 -0.484 12.501 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 10.004 -1.106 1.302 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 10.896 -3.700 -7.479 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 -0.526 17.467 11.079 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 -1.205 -1.816 2.517 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 7.768 -14.799 21.468 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 -20.229 0.714 0.898 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 -6.608 -5.373 -1.341 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 -11.964 -12.187 7.273 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 7.825 -9.548 -13.249 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 3.200 -2.185 0.759 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 -3.637 -13.928 -3.480 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 1.056 -0.604 0.514 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 4.404 -4.038 4.080 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 0.006 3.959 -3.969 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 8.553 -24.182 2.593 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 0.662 2.604 -3.375 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 -0.112 -29.640 20.129 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 2.185 -8.970 -1.020 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 12.405 -0.237 -1.897 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 -5.228 -10.010 2.464 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 18.883 11.197 10.363 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 5.318 -1.263 -7.770 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 -4.290 -5.837 8.581 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 -7.778 -23.749 -16.484 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 -3.219 2.596 0.434 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 1.227 6.990 4.003 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 -12.148 3.771 -5.632 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 3.577 1.624 0.915 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 -0.959 -5.716 -10.278 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 13.073 19.207 -0.656 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 1.412 1.437 -6.307 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 -19.011 -19.738 15.270 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 7.818 -0.264 0.365 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 -1.693 1.590 -5.665 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 -1.383 7.336 -4.649 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 -9.037 -15.683 -6.156 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 0.804 -1.364 6.826 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 7.716 11.622 0.253 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 -21.760 -3.929 17.809 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 0.166 -3.909 -2.048 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 -12.992 -6.709 3.642 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 3.587 3.912 4.623 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 3.957 4.189 0.654 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 -23.089 -19.771 -24.392 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 6.832 6.303 9.985 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 0.807 5.142 -4.589 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 -16.076 18.553 -3.769 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 20.788 2.500 -10.012 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 5.518 -6.169 0.406 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 23.287 22.742 -9.373 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 10.993 -20.203 25.621 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 -1.033 1.546 2.762 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 -1.974 29.042 -9.664 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 -20.146 12.146 -11.126 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 4.729 0.663 0.768 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 -19.466 5.307 28.373 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 -17.941 -16.927 3.972 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 1.149 -5.475 -0.236 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 -12.928 1.634 0.657 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 -27.620 4.122 5.650 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 7.134 -6.610 -6.621 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 -9.153 -17.469 15.943 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 -6.427 -14.323 -4.349 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 9.381 -1.055 1.668 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 17.578 3.154 -4.766 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 13.759 8.653 -6.875 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 6.958 -1.433 -2.331 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 21.904 -6.166 -2.913 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 -5.534 2.023 -4.322 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 3.784 -0.957 -4.948 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 -3.228 7.713 6.825 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 -4.250 -7.167 -7.649 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 7.344 1.682 -0.920 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 13.294 0.875 -7.262 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 0.560 -9.377 -7.409 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 -1.815 -1.580 3.668 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 -16.789 -8.395 8.873 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 13.957 5.633 -0.247 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 -0.056 5.021 1.982 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 -1.095 9.475 10.663 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 7.654 -13.481 -30.916 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 0.401 -3.179 -4.618 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 -6.541 -9.301 16.682 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 -29.710 23.581 20.872 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 -4.685 5.619 -0.461 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 -38.540 9.429 -6.173 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 -7.919 3.395 -29.261 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 -0.036 0.276 -0.581 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 -4.709 8.950 -1.693 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 -2.160 4.352 -1.222 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 1.975 0.641 -0.058 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 -7.775 7.967 -9.212 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 12.286 0.631 -1.954 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 -4.870 9.268 6.640 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 -1.740 3.208 8.365 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 -3.442 -1.766 8.284 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 -2.703 -0.540 -2.966 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 -1.340 6.257 11.327 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 -8.079 -8.573 22.710 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 3.477 0.179 5.448 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 3.936 3.819 4.547 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 5.369 6.104 -4.033 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 -0.780 2.819 -6.974 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 3.787 -0.974 16.071 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 -6.897 7.216 -9.496 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 -4.006 -1.175 -6.513 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 -0.015 -7.613 -5.653 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 -3.140 7.353 -5.482 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 -6.305 3.588 0.033 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 -11.557 -2.624 -5.587 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 -6.079 1.520 -1.881 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 -1.480 3.610 1.053 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 25.086 8.481 -1.213 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 -0.209 -3.532 6.207 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 4.084 -0.498 -1.897 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 -1.546 -3.808 11.173 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 -26.183 13.874 4.749 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 -5.485 4.846 6.520 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 -4.603 -6.673 -2.008 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 -13.053 2.548 4.916 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 2.330 -4.482 1.472 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 -14.024 -18.823 -18.905 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 23.091 -13.467 13.441 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 1.656 2.378 -7.202 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 -9.049 13.772 -6.341 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 5.146 -1.885 -7.999 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 -7.727 -4.077 3.966 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 -2.067 -1.517 3.348 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 -11.504 -1.213 4.249 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 5.738 -0.673 -2.461 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 -5.262 -11.961 -7.835 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 5.934 -27.723 21.998 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 6.396 -0.807 2.021 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 35.525 -32.089 16.460 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 11.728 -31.680 -13.465 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 4.360 1.278 -5.616 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 6.863 -1.109 -8.918 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 -11.482 9.545 6.522 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 2.183 -0.622 -0.741 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 6.958 10.505 -1.739 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 -4.384 -8.822 11.921 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 -6.460 -1.605 2.081 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 -4.551 -9.954 -8.976 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 -2.206 -4.042 -6.626 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 3.065 -4.403 -1.814 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 -10.610 14.426 -27.932 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 -1.020 5.240 -7.124 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 5.681 -0.188 -0.972 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 0.826 4.500 -12.808 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 14.713 -20.766 -1.771 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 6.364 -1.995 0.225 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 -8.880 -16.009 -26.019 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 14.384 -1.090 6.954 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 -8.019 -0.284 6.270 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 3.693 0.494 10.506 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 -9.798 1.187 -0.758 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 -2.952 5.795 6.485 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 -9.694 24.120 -5.600 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 4.803 5.397 15.284 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 -5.056 5.920 3.675 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 -7.618 0.854 0.522 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 -8.289 4.298 7.054 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 0.712 -5.726 -1.360 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 18.143 -20.404 -12.594 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 2.652 -6.681 21.786 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 1.819 -3.087 -5.533 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 -10.365 -11.541 7.684 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 8.551 3.252 7.336 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 0.558 -1.697 3.713 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 2.410 -2.838 9.758 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 -3.557 5.301 -1.340 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 -2.995 2.254 2.698 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 -10.740 0.102 0.227 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 2.253 -4.082 0.733 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 -3.854 -5.104 3.735 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 3.123 9.910 -8.824 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 -8.311 11.962 0.605 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 2.813 -1.116 0.280 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 -17.507 -16.081 -29.839 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 4.529 -13.551 -2.629 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 -5.637 -0.168 2.878 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 -4.137 1.877 3.417 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 -6.692 -1.978 1.541 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 -3.419 0.882 -0.881 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 -0.973 -2.836 -1.290 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 -21.665 -28.747 3.554 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 -0.596 -4.982 -2.737 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 0.219 -32.095 34.119 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 -3.136 6.536 -20.325 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 -1.373 3.944 2.828 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 6.567 -7.241 1.613 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 -4.692 11.700 -4.765 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 1.779 2.115 0.550 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 -11.448 -16.719 -6.116 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 -3.895 5.880 6.823 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 3.650 6.478 0.051 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 0.052 17.062 4.685 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 -0.433 -2.947 9.509 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 -1.671 -2.019 -3.778 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 -0.966 1.051 -6.092 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 -0.352 3.890 -8.191 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 0.754 -3.499 0.510 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 17.374 15.213 8.211 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 2.720 4.816 -3.815 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 -8.081 -0.783 1.633 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 -2.872 13.790 -1.701 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 -8.800 -7.402 -6.198 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 1.517 1.324 -0.700 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -3.829 15.259 -13.102 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 4.162 -15.167 9.837 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 -3.838 1.648 2.400 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 -3.566 6.786 -1.319 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 -29.553 -0.021 -8.577 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 4.300 5.367 0.069 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 -0.972 -19.904 -25.168 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 3.479 4.476 26.624 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 -1.791 -1.947 -3.773 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 23.482 -0.360 11.004 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 -23.859 1.995 -31.028 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 0.425 -4.238 6.628 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 0.955 -18.711 29.138 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 -16.161 16.096 2.959 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 1.475 3.279 -5.331 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 -1.006 3.055 10.077 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 -8.704 1.736 15.625 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 -0.499 2.997 -2.383 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 16.968 -6.973 9.858 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 -2.880 5.263 -18.771 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 0.451 0.326 -3.052 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 1.815 5.696 -6.810 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 -8.215 -6.016 7.459 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 3.819 8.224 1.186 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 3.297 28.666 -6.886 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 0.121 17.686 -2.278 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 6.709 -2.169 -1.489 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 29.461 15.731 -3.218 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 9.784 -5.105 -4.016 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 2.464 -2.196 -0.433 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 4.840 -16.162 -4.268 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 4.822 7.247 -13.310 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 2.310 2.380 -5.123 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 -7.767 -14.317 -2.223 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 8.448 12.030 -6.579 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 2.333 -0.039 -1.908 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 -3.620 -0.897 5.147 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 10.217 15.031 -2.028 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 5.493 -2.635 1.820 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 6.312 -25.285 0.517 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 -25.262 -16.271 -18.448 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 -0.173 5.366 -0.345 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 -19.931 6.757 -5.379 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 -9.414 -0.998 4.596 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 1.341 -2.870 -2.106 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 -7.039 5.898 0.094 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 12.524 -11.986 4.211 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 -5.817 3.309 0.061 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 -12.809 -1.685 -0.377 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 -11.769 -5.444 -2.720 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 5.111 1.375 -1.414 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 6.101 3.192 -3.651 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 0.472 -19.139 16.105 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 3.730 2.159 -0.825 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 2.170 14.449 -12.325 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 -0.262 6.378 8.097 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 0.968 11.399 0.843 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 7.473 11.119 -4.206 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 -3.204 12.522 5.721 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 1.265 0.884 2.880 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 -16.450 -12.218 13.081 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 9.980 5.072 7.476 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 4.305 -0.300 0.555 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 3.054 -4.907 1.076 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 -1.372 4.229 5.396 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 -2.569 0.690 -3.823 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 0.512 1.055 25.000 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 15.464 -11.509 -6.506 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 2.588 -0.058 0.997 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 -7.882 15.613 10.637 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 -0.693 0.440 -22.531 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 -1.336 2.514 5.964 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 4.366 1.955 -6.105 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 -7.553 -8.783 2.457 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 1.464 -1.360 -0.571 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 -28.584 5.836 -37.928 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 -1.009 -0.583 -3.475 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 3.879 2.169 -5.645 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 14.421 -1.986 -4.467 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 6.472 -4.235 -8.485 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 -2.024 -9.343 -2.434 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 -23.055 32.751 2.628 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 0.607 21.530 -18.613 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 7.298 1.279 -1.464 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 10.594 0.373 2.667 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 5.775 -3.936 -3.423 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 -3.169 -0.802 -0.160 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 16.114 10.346 -0.023 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 0.864 0.181 -9.976 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 2.485 2.194 5.560 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 4.638 -1.849 -11.631 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 3.676 10.424 8.901 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 2.385 4.323 2.268 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 -5.852 12.209 1.675 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 4.211 -0.967 -7.026 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 3.833 -6.530 0.337 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 1.929 7.860 -20.043 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 -35.855 -13.318 -18.028 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 -3.468 2.261 -0.823 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 13.709 11.945 -0.992 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 27.884 9.910 4.948 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 3.138 -0.143 5.278 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 -21.433 -21.233 22.201 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 1.294 16.208 -18.706 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 6.404 4.407 2.901 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 -18.473 3.718 -4.328 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 -10.036 11.912 -16.603 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 -2.605 6.865 0.903 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 -2.712 -6.969 -6.621 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 6.582 1.157 -0.556 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 -2.685 -3.896 -0.399 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 -1.064 -15.410 3.396 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 -2.277 0.676 1.455 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 0.250 -5.190 2.579 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 2.142 -10.056 -4.009 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 7.760 -1.658 3.152 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 -5.027 1.488 1.475 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 -9.209 -0.563 3.175 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 -0.749 -0.355 5.378 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 3.976 2.191 2.046 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 -1.298 -4.459 2.240 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 -5.760 -13.217 7.650 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 -2.179 -2.757 2.565 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 1.246 -5.606 -0.461 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 -4.062 -3.838 7.520 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 -5.990 -2.550 3.287 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 -2.358 -10.210 14.285 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 -1.115 -1.258 -9.458 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 -1.188 4.040 6.113 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 6.968 -0.466 3.687 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 -18.829 -15.225 6.900 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 2.628 0.617 5.825 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 -1.702 -1.496 22.827 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 -8.862 -0.818 39.684 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 -1.595 0.103 -0.290 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 10.712 -5.282 -12.924 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 -28.941 -0.885 3.368 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 5.214 3.071 0.521 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 6.895 2.124 26.239 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 -4.549 5.340 -6.645 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 -1.162 -1.108 3.098 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 -9.194 -7.292 0.414 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 -8.271 -5.358 -32.276 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 -1.077 -0.766 0.721 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 6.634 -8.379 16.719 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 -23.730 -5.557 -6.687 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 1.878 2.242 0.964 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 -20.169 -13.085 -13.081 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 3.116 -15.057 8.043 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 6.871 0.633 -0.585 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 -12.632 1.993 -17.714 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 -1.229 14.204 19.064 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 5.333 -2.278 -2.002 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 9.562 2.022 4.054 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 10.465 -5.325 -6.809 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 2.031 -0.682 3.064 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 0.713 5.998 -15.971 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 4.201 6.014 -9.848 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 3.737 1.664 -7.390 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 -9.080 3.869 1.603 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 9.305 5.478 1.696 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 -0.594 6.340 0.876 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 -9.006 5.100 -3.845 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 21.692 7.972 -2.785 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 1.985 2.587 2.812 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 8.097 22.090 1.288 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 -3.085 -10.130 1.509 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 -2.218 1.647 0.167 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 0.033 3.014 -12.569 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 -3.505 1.678 0.849 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 -0.134 0.641 3.037 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 -14.354 9.358 -30.944 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 8.169 -2.848 22.325 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 -3.185 4.887 6.193 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 -9.093 16.151 0.917 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 -4.591 17.404 0.676 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 5.747 -2.127 -1.688 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 -6.790 16.177 23.985 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 12.662 -8.867 -10.728 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 3.632 4.627 4.804 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 5.212 -5.131 1.161 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 -12.894 11.300 0.518 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 -0.119 -1.331 1.850 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 -5.217 -10.518 5.440 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 -0.645 1.667 -9.764 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 2.420 -3.996 -2.755 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 -0.078 -0.120 0.568 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 -3.889 -21.278 -25.336 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 0.590 -6.189 -3.897 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 -2.389 -4.209 0.099 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 -24.013 6.328 26.630 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 -4.924 0.783 -1.966 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 23.055 -24.370 -12.471 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 3.337 -30.779 -8.983 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 -1.024 -0.812 8.506 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 -8.535 3.328 11.233 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 9.534 -9.690 16.223 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 2.396 3.723 5.529 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 21.446 7.940 -2.608 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 7.426 2.736 6.014 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 -0.926 1.526 -1.104 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 7.519 -1.377 0.787 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 2.744 6.090 -27.092 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 -0.016 2.333 1.846 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 -8.666 12.097 -6.193 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 6.086 1.778 -3.514 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 3.347 -3.078 -0.993 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 1.037 -8.261 0.838 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 -8.472 12.718 13.638 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 1.853 7.030 4.442 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 -23.416 26.612 -25.781 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 9.627 -29.269 9.471 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 0.682 1.871 2.217 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 -14.351 -4.685 -14.651 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 -17.130 -5.623 -20.050 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 -2.582 -1.817 0.306 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 2.743 -4.669 11.740 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 -3.350 11.323 0.855 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 6.591 7.115 0.458 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 -0.073 6.244 -3.921 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 11.168 11.429 -3.542 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 4.220 3.840 -1.213 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 -18.043 -12.169 -7.017 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 -0.554 12.879 13.982 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 -0.626 3.430 0.786 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 10.790 9.547 -19.306 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 1.897 -11.636 -3.271 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 -1.163 4.014 2.665 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 -23.034 10.159 15.299 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 -17.309 9.050 -3.100 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 -3.320 -11.278 1.018 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 1.677 10.420 21.052 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 -20.749 5.895 -28.689 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 -3.188 -2.277 1.220 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 -5.069 -16.582 -20.008 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 8.821 -16.501 -7.469 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 -1.191 -0.286 5.883 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 9.397 -0.613 -4.278 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 2.714 0.529 2.233 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 1.293 1.680 8.730 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 -12.457 15.601 0.724 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 27.520 -1.322 -10.077 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 -0.671 0.345 -1.923 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 -2.994 11.149 0.639 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 0.231 2.847 5.299 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 0.466 -0.868 -6.538 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 -9.973 -9.148 -3.123 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 -15.260 -1.148 -0.183 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 -1.875 0.704 2.184 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 15.773 3.700 10.456 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 17.319 7.782 9.732 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 4.421 0.965 -2.434 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 2.594 -4.057 -4.667 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 1.426 -15.335 11.020 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 -4.847 -4.093 -4.805 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 -8.375 5.643 -6.746 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 -4.431 -22.395 -9.203 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 1.328 -6.762 1.689 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 3.713 -2.306 3.639 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 2.075 -11.333 -1.289 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 6.577 -1.899 1.653 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 18.975 -26.286 -1.766 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 -3.670 0.134 27.694 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 1.847 1.919 5.085 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 -0.134 1.644 2.921 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 -2.118 5.733 -0.148 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 -0.151 3.748 -2.241 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 -2.031 18.942 -12.432 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 -9.686 6.853 21.027 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 0.081 -3.992 -6.750 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 1.879 -9.904 -7.376 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 2.665 -7.397 -7.826 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 -3.135 1.397 1.970 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 -18.318 21.216 -4.725 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 21.359 -4.860 11.368 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 -6.843 -0.240 -2.846 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 -4.097 2.573 -1.734 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 -5.359 3.647 -3.909 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 -5.368 -3.135 -2.326 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 5.805 -3.313 2.470 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 0.580 -4.226 -1.553 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 3.514 2.850 4.318 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 9.137 -4.737 -20.163 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 -22.995 4.293 19.905 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 3.616 1.504 -2.162 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 21.625 20.744 -7.704 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 9.166 6.391 -0.701 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 5.923 -3.363 0.852 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 -10.635 12.071 4.968 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 22.702 -14.898 5.875 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 4.041 5.019 0.282 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 -6.272 16.768 -11.967 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 -4.190 -1.773 11.748 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 -0.649 0.593 0.738 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 -3.823 1.766 1.357 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 6.877 0.562 -2.525 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 -5.423 1.342 -6.054 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 11.882 -1.480 -12.045 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 -5.858 -10.642 21.032 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 -3.685 -2.310 -3.207 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 -22.663 -7.924 -3.804 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 12.617 3.382 -1.793 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 1.402 0.838 2.732 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 27.439 3.711 2.960 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 -21.131 1.368 -4.051 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 -9.354 0.218 -4.458 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 11.666 -6.168 6.284 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 -24.775 -19.799 -24.032 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 -2.894 -0.734 3.986 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 -3.338 -13.983 3.778 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 -0.111 19.124 -4.331 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 -0.436 -4.335 4.749 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 1.452 7.719 9.428 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 4.268 5.434 7.310 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 0.011 -3.085 -12.491 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 -0.646 -3.219 -14.002 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 -11.393 -11.173 -12.641 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 -0.758 -0.451 2.343 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 -5.586 1.934 -8.301 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 1.051 -20.570 19.703 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 -0.367 -4.846 -2.530 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 10.462 -1.074 4.898 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 -13.602 -5.849 -11.219 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 -2.559 3.896 3.126 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 2.300 4.461 -1.214 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 -9.910 0.355 5.382 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 -2.837 -1.266 -3.342 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 14.990 13.049 -16.252 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 -6.679 1.275 -10.289 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 4.722 -2.432 0.510 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 -3.018 7.097 7.796 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 6.960 -1.780 -0.125 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 -2.498 -0.239 0.395 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 -0.998 -2.163 -7.314 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 12.000 -11.127 -12.268 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 1.178 0.097 -1.666 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 -7.195 17.999 -3.911 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 20.875 7.493 2.270 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 2.104 -4.846 -3.359 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 -1.715 -17.684 -5.780 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 1.504 0.190 -4.112 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 -0.163 5.020 3.586 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 -3.565 -0.624 5.994 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 1.497 4.626 2.950 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 3.889 7.260 0.438 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 -4.591 -8.973 -5.014 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 3.357 9.629 -7.916 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 0.658 3.403 -4.688 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 11.162 -0.747 -17.126 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 10.057 12.359 -0.685 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 -1.208 -0.797 0.196 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 -7.459 4.202 -12.784 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 10.369 -21.398 6.889 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 -1.447 -5.499 -7.086 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 18.454 5.657 11.160 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 -1.614 -9.472 1.442 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 4.278 -4.070 3.595 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 -3.410 -7.389 -0.882 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 2.158 -5.514 1.380 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 -1.013 5.232 -3.742 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 1.732 1.060 -7.404 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 -18.082 3.990 4.654 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 4.620 -6.898 2.301 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 2.768 -19.428 4.084 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 7.457 -5.070 8.273 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 -7.604 0.267 5.626 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 -7.230 -0.845 1.116 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 -29.947 -7.470 -2.956 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 0.689 1.408 2.218 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 -3.495 21.079 13.476 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 0.118 9.779 -29.503 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 -4.039 -0.262 6.554 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 -9.250 1.392 4.204 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 -25.392 -5.529 13.093 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 -2.887 4.412 -0.970 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 -7.342 21.029 -7.709 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 -14.694 -3.318 15.476 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 -2.799 -5.792 2.919 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 -7.562 4.806 18.329 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 12.170 -21.469 -8.424 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 -1.533 -2.071 5.105 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 21.813 5.759 17.493 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 -1.062 9.631 2.369 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 -3.591 0.603 -1.256 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 13.447 4.250 -24.877 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 -6.104 9.462 8.889 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 -2.354 -5.034 -3.669 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 12.952 28.456 9.255 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 0.367 -11.145 -12.705 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 -2.981 0.637 5.371 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 -2.615 -3.351 -4.094 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 -3.932 3.313 9.630 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 -3.043 1.919 1.889 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 2.372 -12.904 15.652 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 -2.687 -18.574 7.064 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 6.728 -0.006 -2.178 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 3.849 -2.387 -3.466 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 10.035 0.400 2.025 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 3.932 4.677 -1.593 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 -12.945 4.780 -1.123 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 -1.557 9.220 1.127 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 0.477 3.131 6.438 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 27.590 -8.552 21.448 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 -2.175 6.094 2.807 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 -3.134 -3.641 7.992 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 -15.243 3.758 2.350 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 9.372 9.883 26.816 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 -2.325 -0.450 5.568 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 21.858 8.599 -30.400 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 7.417 15.917 0.059 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 -2.333 -8.326 -1.175 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 -8.530 -0.846 -3.763 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 -5.585 3.587 -2.186 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 1.985 0.070 -1.474 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 -8.795 -2.165 -10.794 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 15.112 6.063 -4.984 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 1.850 2.752 -1.814 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 20.290 3.140 1.215 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 6.471 -7.538 -14.855 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 5.024 0.731 -2.765 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 13.450 -10.886 -8.892 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 -4.021 -7.702 -18.372 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 -2.572 3.652 0.768 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 7.350 9.123 24.893 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 -13.887 8.258 -3.717 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 -6.435 3.681 0.261 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 2.593 3.881 -33.438 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 5.599 32.512 7.590 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 -2.573 -3.998 -0.346 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 -0.415 13.794 21.546 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 -14.831 -1.936 -24.686 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 5.975 -1.199 3.441 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 -9.610 -18.743 -4.110 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 -12.373 14.524 16.897 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 -3.788 0.700 -0.171 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 5.725 22.449 -15.613 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 12.221 -18.272 -11.599 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 1.973 2.611 -1.586 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 -6.175 9.851 -1.573 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 13.447 -5.952 -0.789 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 -2.095 2.070 -3.115 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 11.939 4.791 -11.829 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 1.026 -12.888 -12.361 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 -0.372 -1.945 5.209 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 4.093 -3.830 3.107 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 14.694 -11.023 1.482 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 5.448 1.594 0.407 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 5.853 -2.685 -24.901 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 19.506 -25.787 6.644 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 -0.196 3.001 6.875 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 6.265 -2.390 10.554 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 6.493 -20.223 12.299 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 -6.343 1.185 2.001 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 -6.173 -6.910 1.208 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 -4.437 10.081 -0.638 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 -1.501 -1.846 2.354 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 -1.603 -5.190 12.297 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 -12.271 -4.491 -5.840 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 -2.271 1.435 -0.098 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 -24.862 1.535 -13.307 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 -11.399 -14.488 12.617 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 -1.100 2.334 1.634 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 5.704 15.860 -1.463 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 11.627 28.899 -4.579 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 -1.925 -2.998 0.107 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 -3.669 15.606 0.257 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 -14.014 -11.866 13.909 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 0.911 2.690 3.479 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 14.054 9.820 2.590 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 -8.324 8.550 -5.895 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 -2.917 0.226 1.145 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 6.603 4.158 -1.873 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 -10.201 3.551 5.564 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 -3.342 0.287 -2.679 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 26.469 -5.758 -11.620 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 10.267 14.577 31.826 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 6.236 -2.113 0.127 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 24.205 -6.758 9.937 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 11.359 -14.765 -5.323 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 0.392 4.389 -2.108 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 -1.360 12.257 -5.776 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 -0.712 -3.310 2.612 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 3.265 -1.096 3.000 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 13.335 -3.606 -4.145 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 -0.039 -0.419 9.284 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 -0.708 -6.946 4.139 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 -3.228 -2.230 -2.730 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 -11.336 -5.008 8.850 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 5.002 1.924 1.879 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 -12.554 -4.893 -13.830 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 -6.562 -4.253 -16.565 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 -2.962 7.650 2.664 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 -0.862 14.314 10.153 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 -0.112 11.725 6.046 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 1.142 -6.068 -1.973 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 -22.150 -21.354 10.286 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 0.072 -17.625 4.830 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 -3.613 5.523 -1.454 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 16.279 10.864 8.826 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 -11.501 -12.821 12.171 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 1.760 -2.455 -3.389 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 13.679 11.854 3.525 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 -10.599 -4.357 8.587 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 6.841 -0.871 1.343 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 8.177 -26.572 17.588 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 12.465 23.344 -2.988 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 -4.991 3.103 -0.392 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 9.160 21.947 -11.679 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 -10.091 -6.118 14.250 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 -3.082 2.175 -0.097 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 -1.580 -0.480 3.394 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 -13.160 -7.618 2.673 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 4.818 2.396 2.030 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 4.418 -18.145 9.235 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 -1.155 -13.909 11.113 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 -1.439 -2.750 -2.882 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 11.625 9.274 -6.861 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 12.699 15.295 12.221 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 3.015 -1.658 -2.905 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 -20.345 -21.336 5.202 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 -1.756 7.317 -3.085 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 5.664 -1.760 7.661 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 16.041 7.272 -9.348 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 7.442 6.268 -4.234 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 -6.062 3.372 -0.425 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 -15.981 -3.458 10.901 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 -2.512 5.122 2.501 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 2.420 -0.361 -2.703 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 -5.309 -11.530 -1.345 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 7.432 3.818 -8.064 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 -1.524 -0.588 1.596 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 27.844 2.094 -18.900 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 6.193 -22.784 27.991 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 -1.908 -1.770 0.639 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 11.821 11.167 20.540 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 5.674 21.328 20.471 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 1.556 0.280 5.301 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 8.062 -9.611 8.892 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 13.080 9.648 4.202 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 6.313 3.070 -5.594 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 8.032 8.507 -13.430 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 -7.311 11.478 15.604 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 -1.271 3.759 -2.483 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 18.741 -2.721 6.629 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 -21.849 19.527 7.357 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 0.800 2.386 -4.263 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 -8.508 12.203 -0.904 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 -8.633 13.985 -2.123 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 1.389 -7.648 4.205 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 -10.593 7.788 -0.696 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 -5.139 -12.418 23.683 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 -0.437 0.044 9.770 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 2.681 -13.923 13.055 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 15.167 1.418 14.357 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 -1.661 -0.517 2.431 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 -5.107 17.858 9.830 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 -9.907 0.722 -14.491 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 -4.122 0.654 -1.658 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 -8.943 -6.200 2.155 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 -16.254 28.518 17.960 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 1.416 2.245 1.138 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 -4.583 4.396 1.238 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 -37.630 2.079 8.285 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 -1.954 -4.973 -4.070 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -20.081 4.131 -12.824 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 -1.077 -3.611 12.174 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 -4.590 -7.751 0.079 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 -6.569 -35.862 28.237 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 3.263 12.771 -14.404 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 -0.051 -3.703 1.958 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 -12.201 -25.845 -11.057 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 -7.493 7.885 23.985 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 -4.072 -5.132 3.971 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 -20.793 -7.088 0.149 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 12.752 -2.970 21.552 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 -6.573 -1.384 -1.430 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 15.810 -4.655 -18.809 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 13.145 -11.651 32.395 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 -1.514 3.800 7.024 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 8.422 9.252 9.132 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 -5.373 -1.200 8.368 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 4.511 -2.550 4.244 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 2.202 15.996 4.708 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 12.686 3.370 -10.345 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 2.859 7.467 -8.298 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 12.212 8.464 -7.110 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 0.011 4.536 -15.218 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 -0.579 4.383 5.676 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 7.256 -6.712 -22.633 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 -34.622 4.550 6.048 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 -3.706 -0.142 -2.959 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 0.508 -11.068 -11.302 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 -13.836 13.972 6.611 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 2.645 1.390 -0.114 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 -3.566 9.489 9.117 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 10.687 -2.885 -10.122 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 7.342 -1.622 7.201 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 20.232 0.276 9.881 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 -4.679 -5.388 3.606 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 -5.383 0.686 -4.113 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 10.496 9.557 3.210 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 -7.776 2.344 -6.559 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 -0.131 -6.661 6.211 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 17.790 19.873 7.384 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 8.562 20.576 15.124 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 -2.574 -3.533 -0.034 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 -8.628 8.122 24.119 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 -6.521 3.198 3.415 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 -0.647 -0.141 -2.702 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 0.504 -0.726 -0.095 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 6.018 17.373 -0.187 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 -0.565 1.538 -2.191 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 6.455 0.715 10.867 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 6.718 -15.328 22.880 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 -1.727 6.245 11.781 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 -14.363 4.726 24.091 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 -7.009 13.251 9.238 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 -2.599 3.061 1.155 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 4.729 10.111 -21.617 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 0.950 -20.123 -3.052 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 4.079 8.974 -1.951 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 5.190 9.517 0.155 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 1.900 5.595 1.380 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 1.778 -4.477 -8.782 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 0.223 -9.555 -3.539 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 -3.890 14.117 7.434 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 -5.144 -5.431 -1.331 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 -19.405 -0.038 12.099 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 -4.257 -15.425 -4.570 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 -5.016 1.096 2.672 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 9.461 -6.361 17.672 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 -13.645 8.365 -7.068 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 -0.662 1.492 1.159 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 6.265 -1.492 -12.310 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 0.654 0.139 0.357 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 2.497 -3.842 -1.220 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 1.093 -8.035 -0.662 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 25.226 -7.963 3.789 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 3.581 3.780 -0.927 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 0.590 1.499 -3.401 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 4.396 12.180 -0.651 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 3.584 -0.955 -2.479 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 0.319 0.949 -9.583 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 -13.890 -3.611 2.360 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 -0.698 0.170 -1.036 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 4.097 2.204 -10.696 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 12.689 2.450 15.339 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 1.732 -7.500 2.820 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 5.450 -10.175 3.878 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 7.588 -25.813 7.662 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 0.246 -1.116 0.466 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 -4.705 -6.128 -11.943 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 -3.802 15.456 -18.214 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 -4.019 -3.150 -0.121 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 10.888 15.265 -1.016 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 -17.944 5.030 -8.905 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 0.695 10.230 3.624 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 -12.563 1.077 13.357 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 3.622 -3.950 -10.372 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 0.419 -1.463 1.651 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 1.578 -3.729 -25.945 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 -8.235 -10.947 -0.824 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 3.735 4.759 -5.446 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 -4.688 -4.616 5.919 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 -3.539 -0.141 0.165 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 -1.207 0.475 2.625 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 -10.793 13.047 -9.134 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 8.901 -7.130 11.483 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 10.032 4.763 -0.107 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 4.357 6.682 -6.415 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 4.657 2.013 0.101 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 -1.304 -1.160 -0.134 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 -1.251 -11.226 12.575 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 13.192 -4.614 -7.342 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 1.246 1.384 1.907 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 9.944 5.280 0.369 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 7.332 10.574 -12.280 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 -0.020 -3.041 -0.214 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 2.356 -1.153 3.730 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 -7.156 9.600 1.197 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 -4.296 2.009 0.146 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 -11.408 -21.800 22.334 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 19.073 -11.834 -17.630 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 4.924 -1.072 0.486 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 9.586 0.879 -2.336 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 9.994 1.918 3.535 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 2.863 5.271 2.972 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 -13.581 -6.312 16.536 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 13.039 13.096 -1.134 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 4.995 5.352 0.111 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 -5.545 6.698 2.951 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 7.352 6.467 -3.692 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 -4.196 -0.620 -0.015 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 2.627 -3.534 20.657 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 1.310 -9.496 -6.416 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 -0.558 0.183 -1.454 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 5.657 10.339 4.392 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 3.937 0.263 -14.333 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 -1.053 3.640 -0.372 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 2.949 -7.793 17.867 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 11.504 5.701 4.994 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 1.185 -3.038 -1.797 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 16.898 11.900 7.848 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 -5.933 9.073 -1.879 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 -0.203 2.083 -2.063 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 9.160 7.745 -1.824 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 3.096 3.325 -3.433 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 1.879 -1.468 4.743 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 5.456 -1.080 -4.250 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 4.451 12.757 7.141 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 0.075 -7.323 4.012 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 -13.879 -8.635 -3.096 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 15.199 5.549 -7.858 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 2.198 -7.376 2.934 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 5.954 -18.432 6.728 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 1.961 -10.728 3.138 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 -7.245 -1.885 -1.673 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 5.294 19.639 10.634 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 -21.417 8.423 15.556 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 6.961 -9.733 -1.381 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 18.166 -32.731 9.593 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 -20.109 -0.432 -20.473 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 0.897 -1.837 -2.892 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 15.249 2.460 3.691 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 -1.297 -11.854 -1.603 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 -2.581 -3.066 -3.384 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 -6.018 2.154 2.883 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 -3.284 -25.438 -23.180 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 -3.257 3.572 0.396 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 -2.633 -2.279 -16.395 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 1.910 7.593 8.625 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 0.653 2.623 -7.694 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 -12.539 -16.942 -19.202 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 -12.067 7.524 10.052 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 2.794 0.744 -1.768 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 21.835 23.330 -36.140 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 23.688 -3.344 -24.217 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 2.837 1.543 -1.891 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 3.752 6.375 -7.400 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 1.138 -9.323 11.421 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 12.453 -1.185 -0.086 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 14.970 -6.010 12.001 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 9.018 6.351 -17.005 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 -1.906 0.282 2.561 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 13.863 -3.223 -5.137 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 -16.802 -12.887 -0.755 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 5.076 -2.102 4.109 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 6.132 -11.429 -2.948 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 13.984 -9.959 3.923 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 -1.112 -5.590 -1.782 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 12.346 -13.938 16.891 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 14.226 -5.617 6.140 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 -1.457 2.344 -1.712 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 -6.531 19.672 6.116 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 5.379 -15.259 7.052 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 9.615 -1.603 1.564 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 5.403 3.996 -6.778 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 3.567 -2.892 17.240 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 -1.664 3.463 -3.452 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 -10.213 2.811 15.480 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 -1.107 -0.327 25.982 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 -4.726 1.645 -4.645 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 6.509 -13.121 -32.764 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 8.015 -17.136 20.658 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 6.283 -2.368 1.183 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 1.957 -13.815 -5.827 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 19.273 -13.748 -0.357 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 1.723 3.490 -2.757 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 -17.059 18.773 -8.468 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 -14.013 16.173 -7.423 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 8.214 -2.056 3.505 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 13.835 -4.804 -9.725 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 1.688 -13.522 6.202 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 1.488 6.055 -3.440 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 4.182 -0.086 -6.346 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 -18.133 -3.480 -27.802 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 3.245 -4.580 4.883 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 17.828 9.409 -8.360 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 -18.310 -12.322 10.882 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 6.165 -4.577 1.389 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 17.837 10.142 -5.518 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 11.767 -0.537 9.114 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 -3.372 1.013 -5.277 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 0.763 -1.393 -10.503 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 14.841 -9.045 8.979 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 -2.212 3.771 -7.293 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 13.659 26.712 5.749 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 14.433 15.490 4.874 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 2.817 1.570 1.658 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 0.824 -4.640 13.409 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 -2.863 -10.171 17.220 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 -2.048 1.271 5.680 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 -0.448 -2.198 6.303 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 -4.554 -7.068 -17.610 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 -3.490 3.321 2.816 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 -5.373 -13.314 6.354 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 27.306 11.655 5.049 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 -1.631 1.610 4.839 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 0.123 12.284 6.022 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 -15.475 10.767 42.774 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 -2.241 -1.370 -3.881 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 -20.123 2.323 -12.421 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 8.159 4.416 -19.089 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 -0.772 -2.327 -5.923 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 -5.641 -27.723 -10.875 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 -7.417 -34.419 -5.792 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 5.677 -4.924 -4.756 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 6.748 6.468 1.750 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 -4.539 -3.249 -11.821 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 3.918 1.658 0.163 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 3.180 2.876 1.906 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 0.710 -3.256 -0.142 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 -5.509 -4.066 1.172 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 -8.597 -4.657 -0.860 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 22.862 -13.985 -4.783 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 -2.187 2.214 -5.047 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 -3.749 2.531 -33.446 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 -0.595 8.218 -15.975 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 7.111 -1.043 -2.561 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 -0.644 -7.193 -24.357 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 4.555 15.891 12.140 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 0.509 -0.397 -2.924 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 -1.319 -0.228 -3.979 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 -18.752 0.543 -18.187 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 -1.243 -5.364 2.148 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 5.803 11.006 -32.137 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 -7.368 -15.592 -6.897 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 -0.894 -1.976 0.820 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 15.698 0.863 0.143 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 -3.835 -6.090 16.852 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 -6.998 2.587 9.230 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 -9.182 7.405 -9.770 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 -5.272 -16.437 -9.064 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 -2.122 4.968 2.486 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 6.430 7.052 3.951 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 -8.492 11.363 1.928 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 5.265 -2.351 -10.147 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 17.088 -7.711 2.393 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 14.174 0.513 1.838 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 6.580 3.446 -5.751 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 -5.550 5.941 -1.317 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 -5.514 0.710 -6.415 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 3.043 -0.115 1.265 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 -5.533 -18.729 3.212 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 0.770 5.324 9.928 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 -1.616 -7.081 0.252 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 8.926 -16.861 1.516 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 -14.086 -12.381 -6.296 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 5.479 -4.024 0.569 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 4.481 -3.653 2.837 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 10.599 -4.788 -0.265 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 -1.483 -1.713 0.563 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 3.810 -4.899 9.555 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 -6.726 -0.170 -1.238 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 -1.923 6.006 -4.860 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 -19.408 -2.761 -16.546 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 7.967 -6.123 20.807 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 -1.244 0.012 5.261 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 -7.275 -17.380 12.564 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 3.022 13.402 -4.653 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 3.314 6.241 4.038 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 1.850 7.055 4.762 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 -6.998 10.091 7.583 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 4.199 -2.065 -2.624 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 -23.122 -8.299 -9.617 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 26.821 -7.341 10.140 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 -10.535 1.923 6.757 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 -10.359 0.310 6.354 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 -11.442 1.930 7.460 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 -3.218 -1.678 4.110 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 3.813 -2.379 13.024 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 -18.549 -8.085 0.342 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 -7.179 1.489 -3.727 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 -9.011 18.653 -0.027 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 -0.806 -2.427 -8.170 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 1.121 -2.814 -1.578 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 5.213 5.075 -0.014 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 -5.754 -4.233 5.135 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 -1.958 -0.319 7.253 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 17.858 0.242 -3.358 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 0.521 6.798 12.917 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 -0.284 -1.757 3.044 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 -1.995 7.285 1.098 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 1.214 -1.187 -0.376 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 -4.746 5.495 -1.238 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 -18.509 1.611 0.814 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 11.871 2.218 -12.436 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 -0.109 3.069 3.988 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 1.595 4.245 4.455 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 0.275 10.053 -3.088 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 -4.030 1.932 -6.232 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 -2.962 -8.357 2.021 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 16.626 15.524 12.785 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 0.331 4.061 4.552 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 -0.829 -3.341 1.775 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 -17.549 7.486 -12.960 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 -8.673 4.672 1.434 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 -7.637 -0.078 12.102 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 -7.139 3.200 3.698 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 -4.941 5.497 -4.522 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 12.590 10.870 -8.355 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 -17.051 0.216 -1.801 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 2.277 2.471 8.480 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 -6.956 -12.443 12.967 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 16.027 -2.024 18.725 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 -2.018 4.340 2.980 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 2.161 0.190 1.717 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 -25.538 20.476 15.944 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 -5.947 0.308 -0.741 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 3.232 -10.387 4.990 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 -14.247 16.311 -25.062 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 -0.413 -2.726 2.719 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 -9.653 -4.936 -7.677 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 2.863 7.982 9.277 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 -4.655 4.166 2.376 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 1.974 9.707 -1.645 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 -8.001 -13.541 4.767 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 0.666 3.035 -6.610 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 -16.386 -4.202 2.353 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 11.700 3.602 12.760 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 -1.498 5.790 9.235 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 -10.487 5.326 -1.238 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 8.610 -1.856 4.294 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 1.553 -3.123 2.145 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 2.245 -13.363 2.115 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 8.363 -6.480 -13.635 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 4.291 3.685 3.478 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 9.533 -19.404 19.808 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 5.642 16.812 -8.719 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 5.855 3.159 6.352 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 11.372 3.313 -0.705 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 8.265 -4.103 10.842 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 -5.910 1.484 2.027 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 12.746 -4.195 -3.242 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 4.184 14.489 40.674 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 0.433 6.529 -3.211 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 0.435 10.771 -2.862 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 0.439 11.877 4.054 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 4.898 0.933 2.605 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 -0.781 2.937 16.252 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 4.711 -18.876 6.849 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 -1.538 3.614 0.484 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 -4.495 3.463 -5.493 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 4.276 5.872 0.503 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 -2.861 6.329 0.854 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 -16.367 7.208 11.106 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 -7.678 1.895 12.817 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 4.501 -6.448 -7.068 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 6.705 -0.082 -4.295 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 -2.442 -15.642 -0.206 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 3.824 -4.206 4.715 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 -1.310 -2.247 -5.254 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 0.352 -2.485 -14.134 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 -1.411 -1.237 1.686 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 0.381 -2.870 3.797 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 -8.668 1.699 -1.038 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 4.395 -1.473 3.363 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 -3.547 -11.000 2.024 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 6.076 2.198 -8.637 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 3.058 0.627 -1.103 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 -13.071 6.260 8.392 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 -9.540 17.945 37.610 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 0.934 2.879 1.085 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 -0.268 -9.865 7.739 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 -2.553 8.456 -16.006 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 0.936 -0.251 -2.297 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 17.647 6.363 -24.707 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 -19.430 0.353 4.824 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 -8.659 -2.084 -4.990 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 -8.360 -2.263 -10.092 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 2.559 1.325 -1.587 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 4.538 0.559 -4.360 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 6.303 6.735 -1.095 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 -0.787 2.725 -9.491 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 2.306 5.022 3.504 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 -6.074 19.108 -17.549 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 26.395 3.464 11.755 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 -1.116 2.855 3.630 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 34.610 17.278 2.494 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 3.532 -10.518 31.709 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 3.136 -1.435 -5.375 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 2.005 1.950 -10.693 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 -5.070 -0.097 -26.690 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 -4.566 -4.885 0.165 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 -18.255 3.845 10.504 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 -5.385 -6.359 -9.871 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 -0.354 -3.037 2.406 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 -3.604 3.023 -6.228 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 1.467 -8.427 2.622 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 1.195 6.610 -8.281 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 1.469 -5.370 6.683 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 -0.054 -7.324 -8.972 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 -1.263 6.109 -3.571 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 -22.711 24.624 -21.549 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 -7.056 17.204 41.254 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 -1.437 3.853 2.550 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 -8.625 -6.900 9.617 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 -8.091 8.435 -10.608 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 4.864 -4.846 4.630 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 6.492 14.786 -0.589 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 4.930 5.439 16.499 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 -4.957 1.677 0.944 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 -1.859 16.620 9.675 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 -7.416 -0.553 -3.979 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 4.995 9.700 -6.327 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 -4.298 -0.836 -12.457 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 8.039 4.261 7.043 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 5.455 -0.015 -1.674 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 2.418 16.443 -0.686 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 7.079 -13.753 0.292 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 -0.011 4.812 0.158 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 -7.955 18.830 6.292 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 31.721 -7.516 -9.651 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 5.663 -0.537 -9.080 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 4.966 -0.396 -2.182 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 12.631 10.305 -1.487 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 6.456 -3.983 -0.328 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 29.778 -18.185 -16.521 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 9.301 2.519 12.510 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 -4.000 -3.557 -6.944 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 -5.781 -25.879 4.730 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 -4.620 -12.285 -3.045 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 3.259 1.301 -4.214 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 9.445 -2.325 5.729 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 -11.118 21.458 -10.704 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 -1.425 -3.950 2.539 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 -7.327 -0.564 6.340 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 -14.227 11.668 14.105 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 -2.948 0.203 -0.834 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 5.748 9.291 0.963 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 4.325 6.021 2.756 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 -1.288 -1.813 -0.699 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 -2.995 -14.684 5.290 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 -9.119 -15.695 10.274 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 0.061 -1.660 -1.384 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 -1.122 17.249 -14.437 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 18.175 1.815 15.386 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 -0.174 6.950 2.415 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 -0.325 1.154 -6.268 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 2.175 4.181 0.454 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 -0.246 -4.613 -8.494 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 5.444 -9.990 3.377 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 -2.706 3.070 9.087 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 -5.025 8.632 -2.774 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 5.630 4.270 -18.642 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 20.206 18.308 -7.534 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 -2.892 1.818 -6.371 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 1.832 -0.374 7.254 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 -13.502 -2.823 -9.218 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 -1.921 -4.395 -1.930 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 -0.579 -5.792 -9.802 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 -11.364 5.781 -6.102 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 0.078 -2.413 3.347 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 0.114 1.832 9.712 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 -20.037 2.815 10.552 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -3.756 3.065 3.843 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 -3.782 8.520 -9.696 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 4.705 9.931 -8.809 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 -0.085 4.663 0.357 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 -9.108 9.545 0.666 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 5.004 12.004 -5.024 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 -1.250 4.230 2.603 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 2.450 2.598 0.898 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 20.977 -3.925 -5.849 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 2.051 2.120 1.300 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 -0.830 0.211 0.742 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 1.455 2.082 0.080 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 7.303 -1.187 -1.412 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 -9.765 18.003 -0.436 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 -2.599 -7.986 7.979 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 5.002 0.871 4.494 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 -17.709 -17.767 15.712 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 10.107 4.864 1.743 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 2.560 -4.656 -1.744 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 -7.537 -13.980 -3.025 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 0.921 1.776 -12.499 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 3.906 0.421 -1.508 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 -10.058 30.355 17.760 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 10.520 -18.900 -13.078 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 2.518 5.774 -1.381 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 2.044 9.759 -5.135 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 -0.439 -14.744 9.878 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 0.103 -8.393 -5.170 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 11.392 29.106 3.803 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 -5.381 2.553 -24.421 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 0.016 -4.411 3.253 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 -15.566 -8.820 3.708 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 -10.128 -8.420 13.869 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 -2.372 -3.823 -3.625 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 5.151 -10.433 15.729 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 1.572 -8.996 5.840 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 4.304 4.050 -2.251 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 -0.985 17.828 -8.842 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 1.367 1.815 -8.772 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 -1.056 2.075 -1.017 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 -0.382 0.962 -29.266 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 8.722 13.761 23.038 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 -5.626 -4.648 0.609 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 -9.319 -6.193 6.462 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 -0.913 0.411 -0.329 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 2.105 -5.225 5.582 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 -3.562 -1.880 19.439 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 1.018 -32.828 -16.816 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 1.180 -5.029 4.886 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 2.497 -17.540 -3.667 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 2.857 -23.558 -26.938 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 4.435 1.046 -6.104 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 1.166 6.934 -14.917 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 -10.015 -20.823 15.968 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 2.525 2.113 13.964 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 -2.676 6.047 34.114 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 7.836 22.279 6.145 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 1.038 1.347 1.696 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 2.610 11.981 -8.196 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 -9.238 -36.058 -9.061 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 0.058 9.651 1.002 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 -12.921 18.896 -11.374 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 -18.885 14.982 -4.225 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 2.973 -0.174 4.434 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 8.290 2.153 19.877 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 5.244 -21.916 22.406 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 -1.569 -3.675 -1.401 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 9.875 22.854 -16.339 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 -3.103 8.343 -12.065 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 -5.851 -1.528 3.914 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 -4.220 -0.673 3.754 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 15.741 8.099 26.461 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 5.473 1.775 -7.653 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 -1.456 -6.229 -9.714 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 -19.053 -27.650 -13.458 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 8.085 4.238 4.649 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 15.475 12.385 19.275 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 -1.085 -10.801 12.746 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 -2.750 -3.685 -8.309 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 -1.758 2.795 -9.182 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 -1.880 -11.400 -19.490 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 4.112 2.783 1.897 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 1.478 -12.874 12.161 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 7.263 -5.566 7.285 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 2.926 -3.715 0.778 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 -1.470 -8.804 12.065 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 -8.906 -7.606 -11.522 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 0.271 -0.691 -2.197 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 17.308 -4.788 -11.327 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 -5.515 19.826 -11.916 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 0.048 8.318 8.801 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 3.212 11.338 5.380 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 4.156 0.037 -8.055 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 7.078 3.156 1.475 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 14.997 6.184 -17.726 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 5.260 -19.222 2.073 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 -3.074 -1.208 2.581 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 9.927 -12.976 -5.943 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 -2.835 25.776 -21.576 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 4.982 -2.873 10.261 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 -2.968 -2.053 0.692 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 2.284 22.254 29.961 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 3.350 -0.330 -2.317 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 4.379 -4.781 -8.654 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 -9.495 13.499 16.620 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 0.332 -2.408 -1.038 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 -0.006 -3.658 6.582 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 6.307 -1.829 -1.380 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 4.324 0.088 -0.912 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 -4.881 -10.378 15.002 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 -7.139 -25.105 -4.125 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 1.327 3.166 1.903 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 14.844 9.042 4.992 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 8.177 6.242 1.190 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 3.621 -3.528 5.102 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 -5.583 -32.403 -5.293 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 -5.357 -11.670 13.800 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 -5.723 -1.450 -2.527 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 1.187 9.183 -5.498 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 9.031 8.938 11.666 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 2.822 -0.801 2.951 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 2.894 -12.691 -1.657 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 2.838 -11.878 -1.541 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 -1.864 -2.676 -0.040 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 13.004 6.130 12.098 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 16.839 3.928 -8.397 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 10.127 1.535 -2.430 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 11.875 -19.840 1.712 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 11.896 -13.807 1.564 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 1.365 -3.919 -0.323 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 0.179 0.023 -7.219 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 -0.056 11.325 9.313 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 5.186 0.281 -0.762 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 -1.261 6.412 -13.458 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 30.057 4.704 14.675 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 0.730 3.189 2.150 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 -9.870 16.474 11.329 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 -20.426 12.511 0.941 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 -0.647 -1.806 3.163 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 -6.789 -13.332 -18.047 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 -19.334 -8.324 13.026 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 4.705 -2.654 -6.025 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 3.535 1.433 -8.579 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 5.404 0.675 -4.252 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 0.912 -2.166 3.854 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 9.643 -22.529 28.967 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 -10.270 1.321 -0.553 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 -3.451 1.507 0.282 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 2.682 -20.876 -23.984 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 10.492 14.810 16.301 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 -0.247 -2.855 5.973 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 -3.756 -5.052 2.117 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 -9.336 -6.598 -1.863 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 -0.640 -1.646 -1.507 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 -9.522 8.463 2.131 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 -8.245 -9.187 -9.325 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 -1.907 6.734 4.842 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 -5.119 10.993 -18.092 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 25.557 8.642 -0.565 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 -6.085 -1.602 2.024 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 -0.507 -13.455 1.349 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 -6.927 2.139 2.316 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 1.497 -2.161 -6.213 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 -4.357 -6.298 -17.249 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 7.011 8.551 13.887 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 4.898 2.811 3.372 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 23.707 -8.622 24.209 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 -2.064 -14.967 18.283 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 -3.623 5.313 1.369 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 3.879 -38.560 -6.988 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 0.166 5.897 11.006 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 2.471 5.151 -2.742 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 0.739 -10.707 -2.917 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 -4.858 4.028 -16.559 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 2.755 -1.206 0.936 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 13.045 10.852 -9.498 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 -5.799 -5.749 3.658 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 0.162 -1.374 4.351 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 -11.917 14.165 -10.356 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 -12.387 7.678 18.883 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 1.321 -3.694 2.351 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 -1.573 13.571 17.427 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 7.435 -7.433 10.472 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 -2.550 3.967 -5.428 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 16.407 -24.807 -12.163 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 24.637 -17.158 2.946 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 4.395 3.278 -9.896 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 15.164 -5.692 15.605 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 -6.208 36.440 -33.778 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 2.205 -1.285 -4.348 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 -6.465 -47.373 26.145 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 1.196 3.218 -26.801 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 10.286 0.005 -1.799 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 3.938 -14.947 -19.521 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 11.222 24.504 -13.361 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 2.615 3.871 -4.809 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 -5.405 -17.035 -17.132 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 23.108 -1.068 -3.214 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 0.876 2.458 -3.573 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 9.999 10.002 -15.231 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 -0.158 27.713 -2.767 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 0.575 -0.818 3.925 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 5.787 -5.470 1.352 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 1.280 1.499 2.400 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 -2.029 -2.026 -2.340 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 12.147 9.063 -8.063 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 -1.997 17.914 -7.329 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 -3.291 3.489 -2.995 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 -5.537 4.986 -5.587 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 14.994 -22.658 2.337 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 -0.768 1.438 -2.331 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 -13.441 9.664 -6.573 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 -1.789 5.916 -17.248 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 1.153 2.685 1.821 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 14.438 16.359 -2.880 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 12.704 8.413 -1.967 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 0.466 10.247 -2.535 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 -5.905 -12.469 16.166 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 -11.075 16.284 9.062 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 -2.672 0.190 1.144 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 -16.969 17.452 13.124 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 -9.614 3.277 -6.829 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 -1.070 2.179 -4.366 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 -12.252 2.645 -27.617 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 -7.359 15.003 3.758 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 -3.942 6.983 -1.099 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 -15.426 -0.619 -4.534 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 1.462 17.653 7.039 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 -5.757 -0.014 -0.546 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 -18.222 -20.823 12.339 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 -13.335 -13.691 -14.494 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 1.856 -7.523 0.839 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 17.619 7.092 1.290 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 -1.235 -0.761 -15.370 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 1.489 -4.764 -6.711 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 -1.782 -13.581 -12.752 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 3.221 7.771 -37.212 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 -4.355 -5.636 -1.410 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 -11.100 -36.090 4.347 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 -9.232 14.253 9.127 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 5.060 -0.096 -0.612 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 -2.155 9.231 -6.206 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 11.963 -38.512 7.652 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 2.257 -6.907 3.965 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 24.073 15.034 -11.953 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 -22.254 10.040 -5.109 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 3.525 6.624 -4.875 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 3.048 7.608 -8.083 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 1.783 1.824 23.508 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 -5.579 -4.810 0.957 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 -15.104 12.019 1.053 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 -16.375 6.614 -12.617 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 -0.652 1.872 0.401 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 3.933 -16.459 -5.492 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 10.781 9.669 -12.756 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 3.048 -1.421 3.827 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 7.143 20.041 -1.586 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 22.030 -9.094 10.006 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 -2.441 -3.042 -1.414 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 -4.364 -2.415 -1.833 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 5.231 -4.201 1.843 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 -2.113 0.078 10.696 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 -23.440 3.626 9.570 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 -0.213 -2.285 -7.716 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 4.609 -2.940 0.547 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 -28.347 -10.384 -15.050 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 19.535 -20.378 12.973 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 0.192 -0.848 -1.306 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 -7.622 5.456 -5.483 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 -3.435 -6.473 9.062 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 -2.889 -3.911 -3.855 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 0.883 1.691 -7.690 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 7.600 7.917 -8.215 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 -3.050 -0.875 0.869 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 7.479 -2.414 8.647 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 10.439 -4.468 12.606 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 0.892 8.867 -3.329 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 -2.319 4.326 -3.138 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 -2.143 2.568 -8.124 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 -0.198 -2.808 2.275 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 14.942 3.888 -0.512 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 10.632 -3.191 -1.562 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 0.859 -0.369 -2.039 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 -0.005 -27.795 5.813 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 -15.630 2.091 -11.868 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 -3.049 -4.904 -6.857 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 3.165 3.945 -8.280 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 -6.683 -2.732 -9.016 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 1.651 -0.566 0.969 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 27.470 -9.117 1.788 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 29.899 -11.511 6.742 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 -0.441 1.077 1.046 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 -10.111 -4.199 21.038 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 6.266 27.802 -19.776 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 -0.076 6.305 -3.465 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 -4.794 -2.066 16.553 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 6.183 -11.212 -15.599 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 1.767 -2.379 -3.820 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 -10.512 -2.543 -7.511 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 -34.034 -4.551 -14.726 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 -0.724 6.033 2.565 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 -4.446 2.170 8.668 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 1.307 9.619 -3.350 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 -4.011 -0.549 -3.766 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 21.014 16.352 -10.516 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 31.049 22.754 -13.624 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 -4.212 -4.168 1.285 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 -5.691 14.546 3.665 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 -12.084 -11.183 18.645 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 -1.991 1.637 -3.744 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 -6.944 23.537 -20.677 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 10.244 -1.321 14.434 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 -1.228 -4.802 -0.714 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 7.977 3.922 -11.581 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 4.541 1.023 15.514 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 -3.700 -1.264 -3.383 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 -15.744 21.646 14.416 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 -15.023 19.156 11.652 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 0.019 -0.331 -0.053 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 29.600 5.366 -3.657 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 0.207 11.812 -3.952 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 0.130 0.935 3.602 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 -37.194 -9.600 -0.275 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 2.276 0.041 -4.814 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 1.380 0.916 -0.525 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 1.599 -10.460 -13.644 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 -14.377 5.217 2.971 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 -0.285 1.925 -3.346 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 -25.504 -11.566 -3.665 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 -3.208 14.999 32.603 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 -2.499 0.634 -1.819 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 -5.921 2.393 -3.771 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 -5.352 22.408 -2.168 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 -2.659 6.294 -3.234 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 -2.816 5.822 -11.487 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 6.438 19.455 -9.536 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 7.285 3.888 1.414 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 6.334 4.789 1.971 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 10.867 -5.172 -0.125 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 -5.068 7.704 -4.560 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 2.407 7.954 -10.949 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 8.187 5.379 -5.637 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 -0.111 -6.000 -3.225 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 -1.832 -11.282 -2.151 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 11.148 -6.183 -27.211 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 -2.453 -6.367 1.969 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 -25.897 12.530 -13.007 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 -13.590 27.959 9.998 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 -2.587 2.149 -2.343 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 -1.484 -0.022 -7.233 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 -11.011 5.612 -4.677 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 5.519 -1.226 -0.938 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 15.112 9.249 -5.471 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 -17.238 -3.451 7.956 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 2.134 -6.534 0.587 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 -5.296 -17.114 -11.786 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 -6.412 0.494 -8.122 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 -1.477 -2.902 3.046 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 2.810 14.366 5.199 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 -3.452 -7.500 -15.667 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 3.049 -7.332 -0.961 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 5.757 -5.266 2.920 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 12.601 -3.256 4.270 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 0.238 3.278 2.137 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 -4.126 -0.291 3.354 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 5.542 3.722 -5.724 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 -5.118 4.263 -2.056 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 5.807 4.632 0.320 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 2.555 7.601 -17.514 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 0.438 -3.561 5.036 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 -4.362 -12.165 0.646 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 4.152 3.359 -7.573 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 -3.557 -2.958 -2.133 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 -10.883 2.654 -3.460 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 -2.994 -8.231 3.017 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 -2.855 2.804 1.801 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 -11.607 0.168 -1.029 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 -18.915 4.922 -6.223 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 2.943 -5.294 5.275 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 -8.892 -30.647 -3.932 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 -1.805 12.798 -1.514 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 -2.319 3.495 -3.901 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 -8.977 10.356 -11.972 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 -2.957 5.952 -7.429 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 -0.869 1.598 9.514 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 15.609 23.781 5.613 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 -13.260 5.170 -11.792 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 6.653 6.200 -0.286 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 -7.343 -6.834 4.564 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 -2.724 12.255 -15.030 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 1.000 -6.684 6.843 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 11.205 -25.178 -2.993 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 23.986 9.599 3.493 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 -2.547 1.053 -1.575 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 -14.177 17.672 7.115 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 -23.016 5.466 17.222 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 -3.392 -2.670 6.236 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 -17.239 -9.904 7.770 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 5.434 0.102 21.509 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 4.856 -7.159 4.366 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 -10.626 -1.405 1.203 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 -4.832 -6.277 -7.157 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 1.714 -6.931 -2.378 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 -4.326 -11.992 9.059 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 5.713 8.722 -2.421 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 5.109 4.241 -6.314 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 5.112 0.537 -14.883 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 -0.199 -15.943 -31.981 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 -1.886 3.746 0.374 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 -14.672 5.889 0.241 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 -4.199 3.968 3.827 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 4.725 -3.307 7.468 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 5.867 11.394 5.404 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 9.554 -27.576 0.198 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 -2.842 -2.245 -2.146 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 -3.964 0.993 -9.845 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 -1.367 -7.300 7.752 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 -4.211 2.690 -0.195 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 6.746 5.260 -5.473 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 -7.168 -19.410 12.769 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 1.365 -6.552 2.916 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 4.257 -54.019 15.050 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 -2.238 -3.319 3.402 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 5.172 -2.342 2.496 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 -10.562 -5.198 3.801 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 8.647 -1.586 4.264 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 -1.597 2.229 -0.656 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 7.369 -27.745 -16.663 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 -6.712 14.826 10.111 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 -1.562 0.505 -3.389 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 14.754 6.735 -1.994 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 -4.132 -0.592 11.764 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 2.018 1.963 -0.373 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 -5.077 -17.059 12.429 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 32.481 3.127 -6.894 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 7.686 -4.993 1.297 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 17.143 -3.445 -13.822 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 6.079 -9.024 -6.548 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 3.952 5.050 6.523 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 2.992 8.380 2.514 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 3.614 -3.269 12.680 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 -3.740 3.225 -0.556 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 -1.079 26.566 -8.092 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 1.940 9.202 16.491 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 -2.177 -4.647 -2.405 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 4.893 0.165 -5.039 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 2.948 -10.631 0.832 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 2.173 0.206 -0.758 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 6.503 -2.772 4.547 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 21.090 6.538 2.821 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 -4.611 -0.602 -1.980 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 12.324 2.637 22.707 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 14.872 16.522 8.982 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 -1.705 -0.197 -4.283 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 -2.640 -5.214 -10.202 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 7.853 31.595 -48.142 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 6.267 -2.026 -2.583 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 6.267 -14.027 5.811 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 6.409 -1.505 14.339 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 1.250 -1.973 -5.603 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 4.290 3.299 -17.509 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 -0.531 -4.610 3.599 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 5.315 -7.221 -3.163 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 8.712 5.131 6.358 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 4.091 -9.718 -1.003 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 6.504 1.229 1.730 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 -1.113 29.000 22.693 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 21.313 -22.622 -3.017 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 -2.880 -3.299 2.767 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 -14.826 4.301 7.464 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 -9.083 -2.483 -0.098 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 0.051 -0.292 1.774 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 4.757 -0.573 1.092 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 -1.304 -3.576 -5.323 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 -1.965 -1.987 -2.269 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 3.819 -16.214 -3.595 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 -3.112 -7.529 -3.099 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 0.493 -0.844 -3.902 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 4.049 -1.552 0.871 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 -13.471 0.790 -21.014 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 -2.597 -2.482 2.785 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 -20.628 -1.699 8.763 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 -12.449 -1.080 -1.287 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 -0.181 0.555 -5.006 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 3.858 8.221 -11.559 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 -16.999 3.036 -3.727 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 -1.755 -0.504 1.439 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 -0.087 -4.282 -0.418 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 1.666 2.071 2.839 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 0.636 -2.464 -1.650 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 -0.274 4.191 -1.079 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 -5.870 -2.651 2.045 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 -6.685 5.744 -2.410 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 4.235 -20.775 13.857 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 7.834 -3.201 13.044 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 -2.983 -1.457 -4.186 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 -1.143 -1.899 -3.758 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 12.116 -10.503 -1.638 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 -0.606 4.536 -2.250 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 -7.297 -3.972 -13.321 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 16.442 -1.396 -3.925 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 -0.290 -6.354 -3.675 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 2.458 -3.204 -3.676 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 4.787 -9.780 -1.840 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 -1.009 -2.947 3.457 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 14.434 4.180 1.716 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 -4.739 -1.371 4.218 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 -5.800 -2.432 1.980 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 -5.762 1.460 0.532 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 -2.199 15.589 14.290 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 -1.138 -3.088 -2.548 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 4.935 -1.831 4.563 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 -5.824 -6.507 -9.518 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 1.007 -4.052 0.739 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 -4.436 12.093 -9.699 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 -5.382 -11.085 -15.698 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 3.904 -1.984 1.125 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 15.463 -9.985 -3.533 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 -10.763 -8.435 9.796 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 -3.665 -1.222 -2.711 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 7.301 -8.452 8.422 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 -14.332 -7.244 -9.962 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 -2.536 0.691 -2.522 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 -1.514 9.511 -3.813 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 -2.332 13.235 -3.567 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 0.119 -0.754 7.734 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 0.600 -8.041 10.062 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 -3.078 3.701 8.724 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 -1.052 -3.103 -0.646 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 -6.759 -3.551 -0.398 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 15.019 4.074 2.665 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 4.703 -0.169 -1.363 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 -7.865 -10.863 -2.521 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 8.163 -18.868 0.755 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 0.811 2.518 -0.743 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 20.093 -9.386 14.624 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 -12.436 14.768 17.924 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 -5.491 -2.483 6.514 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 4.646 13.206 7.060 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 9.881 -15.189 12.721 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 1.371 0.071 -5.132 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 3.741 -7.660 5.005 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 11.079 -3.175 -5.135 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 0.474 2.772 -7.000 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 -5.702 5.673 -17.133 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 -3.819 8.661 -8.282 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 0.173 2.173 0.886 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 -3.117 8.192 -7.695 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 5.751 11.255 11.208 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 0.085 -1.057 0.672 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 2.284 13.570 7.079 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 -13.000 -18.946 -1.360 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 1.537 -2.399 0.072 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 -1.024 -4.971 2.445 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 -33.640 -25.046 -1.856 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 2.954 -6.140 -0.464 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 -12.685 -15.851 17.352 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 -3.573 13.797 6.406 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 8.865 -1.706 -1.372 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 17.281 7.940 -16.061 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 0.081 11.165 -2.141 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 3.753 -0.026 1.548 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 3.249 -1.624 0.789 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 8.473 3.260 -2.479 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 -3.648 1.800 3.719 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 0.461 6.978 -9.119 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 -1.560 -6.535 5.433 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 3.835 -4.382 1.205 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 -26.066 -0.633 -9.428 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 -3.729 1.527 -3.866 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 2.494 0.617 0.706 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 -3.011 1.843 6.621 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 -2.573 1.501 -5.494 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 1.124 2.845 1.328 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 -4.494 -12.333 -6.133 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 -13.852 12.418 6.668 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 1.205 0.107 2.545 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 10.781 -1.310 -16.859 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 -0.623 -13.332 6.420 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 -3.072 4.190 -12.874 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 -0.641 17.614 -4.248 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 10.016 20.685 0.295 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 -1.471 -5.266 -8.243 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 -18.938 -14.050 -4.362 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 -2.775 3.928 -0.412 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 -5.588 -0.892 -4.359 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 11.777 -9.353 -32.190 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 7.067 -8.090 24.889 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 2.275 6.025 -0.781 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 9.882 13.227 -4.102 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 0.722 6.500 -14.496 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 1.936 0.194 1.943 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 2.361 -0.550 -1.542 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 -12.281 -1.186 2.055 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 -3.112 4.353 -0.174 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 16.429 6.463 -2.295 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 -5.088 4.018 0.089 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 2.021 2.615 -2.109 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 -3.223 13.147 -9.645 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 -4.155 20.058 -7.180 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 0.010 -5.289 -5.980 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 -7.123 9.932 -2.528 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 7.580 4.715 0.442 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 3.308 -7.861 0.021 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 -3.331 -32.067 -1.119 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 3.994 -6.903 3.236 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 3.929 1.092 -1.278 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 3.293 -0.624 -3.904 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 2.634 -1.204 -1.997 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 -0.535 -9.774 -3.494 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 -14.354 -11.741 2.923 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 2.165 -18.972 -15.974 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 3.418 -3.115 -7.260 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 5.347 -10.106 -12.304 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 1.883 -9.079 -8.257 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 3.155 -0.627 1.959 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 1.555 -4.977 12.428 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 -5.397 -13.411 -8.138 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 -2.798 -3.883 -0.643 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 -3.924 12.403 17.381 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 -4.581 -7.024 -5.027 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 -5.496 -4.977 6.080 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 -4.659 -10.750 10.045 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 -5.951 -4.769 6.084 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 3.958 -1.449 2.908 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 2.125 -26.013 -9.814 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 2.171 -0.949 15.942 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 2.630 7.475 2.118 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 -13.072 -0.768 -5.661 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 2.195 5.184 2.713 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 -3.202 -2.297 6.461 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 -16.496 -7.297 2.441 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 1.992 9.805 -2.307 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 3.375 -1.001 0.545 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 1.816 -6.866 -1.745 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 -2.159 15.759 -11.384 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 -6.298 3.078 0.980 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 -18.399 -10.121 11.595 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 -8.999 -0.498 0.711 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 -0.740 1.930 -0.588 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 -1.618 14.473 2.246 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 0.861 -13.451 3.614 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 0.728 -2.816 -0.810 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 2.596 -17.426 -11.112 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 -8.653 3.078 -11.774 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 -4.752 -0.698 10.088 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 -17.914 31.251 2.558 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 -14.150 -3.064 8.097 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 -1.083 -0.459 0.890 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 11.831 0.921 2.052 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 -5.172 -6.452 1.808 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 0.534 -2.223 3.206 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 3.497 -2.987 -21.790 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 -24.074 2.408 6.029 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 -6.145 -8.214 3.299 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 8.160 -12.854 -8.664 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 -36.096 10.687 -2.756 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 4.750 1.458 4.535 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 4.977 8.609 0.997 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 3.039 -2.480 5.020 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 -4.159 0.481 -0.549 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 -13.999 -0.091 18.276 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 2.347 9.097 5.697 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 0.376 -0.748 5.660 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 10.152 -4.591 3.057 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 -0.669 7.931 1.906 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 7.715 2.351 1.105 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 11.312 -7.557 -37.061 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 -18.765 4.063 -4.267 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 -10.697 -5.337 4.577 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 25.108 1.208 -5.478 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 -9.721 -8.447 4.696 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 -4.092 -3.050 -2.599 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 -0.831 3.598 0.243 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 2.333 -2.288 1.734 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 -2.225 0.855 -4.988 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 -13.372 2.242 -23.466 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 3.570 8.254 5.765 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 -0.850 1.956 -2.351 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 11.128 -7.450 5.028 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 -19.073 -14.489 -12.153 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 7.400 -1.222 0.191 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 10.352 2.948 -12.670 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 10.270 3.332 5.079 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 1.255 3.433 -3.258 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 5.969 13.940 -6.182 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 5.387 13.566 -8.231 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 -0.684 7.131 2.292 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 4.322 4.616 7.052 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 7.102 1.413 8.179 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 0.066 5.362 -3.234 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 11.598 20.460 -13.356 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 -14.697 11.918 -3.510 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 3.890 -0.214 5.331 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 -2.508 -13.913 20.124 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 13.466 -11.439 3.970 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 5.599 -4.471 9.751 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 -22.202 -4.515 -10.546 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 -6.447 -1.994 7.719 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 8.141 -0.507 -4.798 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 5.852 -0.680 1.532 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 -61.472 -2.195 6.112 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 0.354 -3.456 -1.912 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 3.571 9.905 5.122 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 12.664 -4.715 -14.694 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 -4.437 1.727 -5.898 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 -1.506 1.776 -5.900 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 9.873 3.065 -35.972 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 6.616 -6.551 -0.395 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 17.764 -27.316 4.027 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 19.581 4.100 -3.059 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 4.254 -2.949 8.518 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 4.909 6.709 -8.230 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 -9.386 13.865 -6.556 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 6.063 0.696 -0.434 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 -5.020 12.920 5.341 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 0.338 -0.590 -2.237 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 -1.777 5.880 8.618 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 -16.415 18.555 -8.551 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 3.130 -6.643 2.817 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 -1.783 -1.598 2.235 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 -20.030 -8.335 8.259 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 2.320 -3.542 7.664 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 -2.472 -2.869 1.970 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 2.484 8.516 -24.784 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 7.727 20.814 30.561 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 0.829 -3.619 -0.040 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 6.149 -5.797 -1.028 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 -21.025 9.313 1.174 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 -0.572 0.599 1.273 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 1.192 -8.726 -3.239 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 3.471 0.007 -3.900 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 -3.380 -3.919 -4.939 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 3.290 -12.856 4.675 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 6.927 0.583 -11.444 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 4.854 3.090 -1.857 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 8.991 12.854 7.688 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 -22.041 -19.092 -0.269 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 9.054 5.693 5.519 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 7.969 13.994 -11.355 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 -6.223 -0.220 5.891 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 0.695 -2.922 0.407 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 9.280 0.753 2.023 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 -3.188 -6.142 -2.207 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 1.338 -1.773 2.851 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 0.542 3.920 -6.316 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 3.827 1.924 29.930 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 -5.164 -2.306 2.093 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 3.082 -0.191 2.628 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 -3.398 -3.021 -3.006 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 1.146 3.713 -2.760 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 10.049 -20.257 3.521 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 15.209 -16.718 -13.541 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 -0.160 -1.523 -4.294 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 -9.920 -21.445 21.655 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 -5.259 1.709 -12.089 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 4.168 1.802 -2.171 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 9.086 -0.878 0.337 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 -14.538 10.739 -15.667 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 1.263 6.406 2.504 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 2.088 7.380 4.645 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 11.749 0.239 6.672 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 -0.308 -0.233 4.719 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 -2.301 1.471 -1.227 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 -6.060 -1.597 8.244 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 0.879 7.833 -0.808 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 11.276 -3.057 -5.619 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 -2.572 17.423 1.837 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 6.003 3.121 -1.290 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 -5.319 -19.569 4.532 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 6.277 2.791 -2.721 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 4.073 -4.313 -1.625 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 7.982 -7.034 -10.282 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 19.303 1.606 4.397 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 2.713 6.354 -3.179 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 -9.370 16.980 -3.914 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 -4.461 5.112 -6.323 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 -1.767 -4.516 3.131 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 15.472 -3.941 9.932 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 0.719 -3.165 -15.546 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 4.015 -0.116 -6.164 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 -9.948 11.157 4.843 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 -8.905 7.725 40.332 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 -1.536 -0.317 2.361 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 -15.725 -3.272 0.028 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 -19.154 -12.982 -12.649 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 3.985 3.005 -2.659 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 0.846 13.344 8.648 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 16.280 -0.402 -1.394 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 6.187 2.684 3.660 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 -4.460 -9.780 -5.950 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 35.350 16.220 -0.079 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 3.264 2.411 1.775 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 27.967 -8.312 17.834 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 -1.109 13.082 3.541 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 0.456 -4.699 0.181 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 -19.087 6.069 -5.183 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 4.414 15.232 -0.646 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 -1.560 -5.366 -4.444 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 -3.919 -11.532 -4.676 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 -1.078 -5.960 -4.389 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 -0.578 -6.774 2.260 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 15.495 -38.820 4.231 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 5.301 -6.596 -14.743 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 -2.877 -2.455 0.698 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 -9.720 5.325 -2.737 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 -19.282 0.429 -1.454 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 3.864 0.903 2.048 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 -10.257 15.013 -18.492 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 -9.350 -16.373 15.791 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 5.077 -3.688 -1.682 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 -4.727 8.305 1.379 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 17.207 -0.527 3.299 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 -3.893 9.124 -7.474 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 -4.455 9.338 0.034 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 3.393 15.763 -10.944 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 0.637 5.067 -1.185 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 -1.429 -3.601 -8.203 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 -13.110 0.145 12.317 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 -0.980 -0.384 3.278 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 14.346 3.188 -4.714 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 -1.637 6.727 10.665 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 -0.416 5.270 4.047 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 -6.668 7.047 23.018 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 -27.318 0.182 39.481 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 -8.852 -0.635 12.879 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 -20.069 37.854 -30.560 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 -5.068 30.504 5.038 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 2.892 1.099 -2.301 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 11.490 13.186 0.967 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 7.280 -5.740 -3.604 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 1.238 0.898 -8.887 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 -2.354 -9.733 8.763 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 -1.809 19.524 -4.855 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 -3.733 -0.112 -0.055 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 6.682 -3.016 21.387 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 -13.350 4.696 -21.457 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 0.350 -1.082 6.111 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 11.403 -0.891 15.267 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 16.169 -4.424 20.821 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 -0.359 5.601 -4.117 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 -9.389 -10.506 -16.421 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 1.702 -8.162 19.304 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 1.562 -3.667 -0.632 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 6.325 13.697 -11.601 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 11.273 4.653 -3.008 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 -8.691 -0.118 -3.615 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 -11.295 -13.794 26.947 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 -17.758 11.267 -16.494 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 1.030 2.630 0.818 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 -12.459 -27.893 -6.177 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 9.209 -1.777 -0.356 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 4.828 -0.742 -6.902 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 3.947 3.097 2.658 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 19.424 2.264 0.919 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 -5.294 2.328 5.231 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 -4.652 17.810 -3.243 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 9.670 -13.041 -10.040 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 5.473 -1.307 10.217 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 3.041 0.769 4.406 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 4.769 -3.176 8.316 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 5.035 -4.900 1.143 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 5.251 -2.627 -0.353 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 -5.466 -2.369 6.442 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 1.410 5.624 5.171 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 -0.986 7.833 -13.598 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 12.617 8.626 9.844 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 0.694 13.779 -5.422 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 -10.391 14.095 9.210 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 -33.844 12.412 8.133 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 -6.409 -3.098 -2.247 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 16.780 -27.616 6.052 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 -26.889 11.182 -9.461 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 0.275 -1.508 4.944 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 -20.707 -14.683 -12.639 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 -5.077 0.945 3.841 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 0.345 2.537 3.743 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 -4.407 1.832 2.858 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 -10.031 -12.283 -13.041 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 0.810 6.818 4.212 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 1.992 15.734 11.941 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 16.195 20.599 -11.962 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 2.803 -5.874 -9.682 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 14.306 1.023 -15.887 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 3.388 -13.287 1.490 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 -3.606 2.637 1.336 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 4.795 15.267 -11.530 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 -3.624 -11.556 -16.045 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 4.699 -4.792 -4.141 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 -34.713 0.758 -0.236 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 10.383 1.890 -3.046 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 -3.915 -3.152 3.531 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 -3.293 -7.720 -2.410 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 2.940 3.216 -16.985 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 -4.842 4.895 -3.601 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 2.434 -7.342 -0.987 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 6.213 -11.041 -4.809 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 1.865 -1.110 -0.619 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 -11.835 -9.112 -2.972 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 7.067 -3.811 3.201 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 2.970 4.702 1.939 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 3.989 15.359 13.462 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 -20.349 16.723 -0.670 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 -1.567 4.612 -11.041 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 16.181 -6.505 -0.396 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 -4.963 4.878 6.241 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 -4.856 -5.385 -2.742 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 12.516 15.304 -1.078 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 -11.564 -8.350 -17.510 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 -2.715 0.810 3.429 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 -3.044 -14.857 -0.078 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 23.363 10.942 1.249 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 -7.023 -5.342 -5.972 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 -2.761 -14.033 7.250 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 5.808 12.995 -7.200 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 6.794 -4.376 1.774 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 8.314 -8.645 -2.894 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 4.727 -1.388 0.682 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 3.026 1.435 0.681 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 1.572 3.167 1.471 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 0.326 1.536 -8.048 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 -1.444 -2.403 5.421 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 -15.471 -11.628 1.006 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 9.826 -10.497 4.790 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 0.072 3.139 -1.123 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 -0.729 2.114 -2.027 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 -3.060 -3.561 -3.372 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 4.402 1.111 3.249 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 -41.936 7.019 -2.772 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 53.052 -5.776 -15.813 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 -0.483 -0.806 -3.793 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 10.205 7.065 4.493 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 2.080 -10.479 -6.065 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 -5.247 -5.247 0.900 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 20.958 14.706 -6.436 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 18.235 10.982 -9.598 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 -1.448 -6.629 -2.407 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 -23.157 -18.527 -18.186 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 19.081 -11.339 -13.562 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 1.576 -0.730 -2.969 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 17.377 9.192 -19.982 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 2.073 -1.055 -2.528 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 -3.849 -1.345 -0.091 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 8.073 -11.841 10.271 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 -20.955 3.315 0.174 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 -1.529 2.296 -1.135 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 3.430 2.497 1.146 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 0.772 2.452 -1.033 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 -1.724 0.641 0.731 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 14.205 26.879 -3.048 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 -10.174 -5.311 1.163 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 -1.489 -0.014 9.373 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 -3.064 0.175 -2.921 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 22.094 12.137 3.181 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 -1.491 1.982 -3.379 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 -12.543 12.192 3.828 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 5.821 13.326 -16.031 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 -3.005 -2.135 -0.166 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 -5.060 -8.738 15.622 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 1.232 -4.437 8.391 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 -2.069 -0.136 5.766 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 -6.017 -11.386 12.682 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 19.315 11.089 2.704 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 2.164 -4.809 5.469 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 8.969 -10.671 -2.004 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 10.525 -17.371 -9.207 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 -6.816 -0.582 -2.098 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 5.094 5.211 -19.627 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 8.121 -0.924 13.098 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 3.254 3.485 3.926 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 25.669 -21.330 14.715 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 3.743 11.361 8.201 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 -0.200 0.508 -3.702 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 -3.632 2.201 -1.539 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 -20.951 4.905 -2.774 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 -8.029 3.797 1.459 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 -12.985 3.539 12.978 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 -12.689 5.406 2.477 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 -4.893 0.210 -1.709 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 -18.957 -30.818 -7.322 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 -4.900 5.693 -29.133 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 2.018 -1.271 5.303 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 11.672 4.539 -4.980 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 -15.248 -15.019 -5.171 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 -1.365 6.156 3.756 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 -2.030 -8.587 -16.407 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 5.372 10.552 19.579 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 0.463 2.789 4.688 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 2.388 -4.904 -1.882 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 6.757 -1.017 8.579 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 -0.221 4.497 -2.184 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 17.961 2.540 -3.791 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 -4.633 21.875 21.076 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 -2.981 -5.264 -4.398 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 -0.781 -1.519 -1.345 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 -6.621 -7.659 -4.950 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 0.201 -0.009 2.453 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 3.816 10.676 14.139 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 1.281 -15.587 -0.156 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 -3.384 -1.203 4.641 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 -10.023 3.074 5.477 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 -0.367 14.165 -9.692 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 0.623 -3.499 -4.247 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 21.919 -11.974 3.136 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 10.191 -8.461 -1.329 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 -2.316 -0.672 3.959 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 -6.226 5.615 -22.463 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 -8.360 3.702 -0.747 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 -1.913 0.122 -5.332 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 -0.018 8.604 39.141 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 -1.367 1.276 -0.926 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 1.130 2.009 2.739 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 -3.274 27.699 -1.159 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 -1.998 12.805 3.956 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 4.435 -1.185 2.143 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 -5.951 -0.904 -20.767 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 9.366 8.128 11.356 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 3.703 6.789 -1.151 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 -4.063 -12.333 -19.135 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 7.128 -6.199 9.142 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 -0.722 -1.047 1.485 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 15.220 -22.525 3.896 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 4.381 3.943 -18.473 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 3.785 -5.422 3.315 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 21.245 30.303 -8.974 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 7.124 -14.250 7.631 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 -3.352 6.016 -0.525 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 7.497 -7.278 -5.183 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 -0.250 3.482 -2.951 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 3.208 -0.506 -2.456 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 -17.531 -9.472 17.144 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 11.605 -8.258 1.418 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 1.580 -0.369 0.288 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 -4.968 6.202 -8.164 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 0.821 -7.315 -5.600 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 -3.841 -2.838 3.140 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 5.142 1.216 7.303 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 -0.624 -7.730 -5.686 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 -0.818 0.837 1.238 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 -13.639 -1.766 -9.894 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 5.971 4.127 -2.665 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 1.465 0.302 -5.889 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 10.309 -15.819 -11.759 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 3.426 -5.528 -5.055 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 3.962 -5.210 0.696 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 12.380 -28.966 -30.873 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 1.638 1.655 9.626 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 0.597 -5.257 -1.705 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 12.483 -7.201 1.358 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 6.806 -4.399 3.608 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 0.803 1.158 4.266 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 -8.655 -2.134 -4.323 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 4.737 5.170 18.089 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 2.118 1.727 5.006 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 -7.507 -0.748 14.605 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 8.964 -0.778 12.703 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 -3.347 1.886 9.335 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 1.209 1.091 -6.716 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 0.527 -0.740 8.186 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 3.970 1.639 8.724 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 15.497 7.694 9.027 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 -0.770 -1.067 7.460 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 -3.034 0.837 5.289 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 -15.847 -3.131 13.463 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 -20.550 14.243 1.633 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 -6.101 -1.998 2.465 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 -23.981 1.520 -3.049 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 -6.525 7.807 -2.609 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 -6.365 -8.966 9.425 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 -6.959 -16.634 -13.858 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 5.185 -9.400 7.810 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 1.147 4.585 -2.322 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 -6.276 -1.988 -19.961 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 4.848 21.072 -0.961 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 -5.346 4.233 5.207 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 3.691 -18.303 23.409 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 -5.788 6.021 3.655 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 5.410 0.882 6.323 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 10.219 -4.121 3.458 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 9.695 -0.109 2.533 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 4.727 1.302 -2.226 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 10.007 -6.038 -4.103 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 11.350 5.323 13.411 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 -2.503 1.850 5.150 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 14.530 -1.530 20.644 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 15.877 8.933 26.381 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 -3.013 3.520 3.659 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 -3.237 22.407 -4.566 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 -13.229 -18.811 -17.872 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 -3.866 2.836 -1.758 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 -4.493 5.727 6.968 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 -26.610 9.886 0.042 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 2.153 -5.820 1.589 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 -4.227 13.107 -6.377 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 5.991 -14.013 -12.068 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 6.121 8.022 -1.392 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 19.416 3.590 4.155 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 2.275 -5.443 4.156 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 -5.813 -3.733 4.355 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 6.692 -4.956 12.690 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 -5.989 12.342 15.572 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 -2.075 -5.381 -4.171 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 -16.398 0.158 -0.255 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 18.093 -19.333 -8.670 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 -4.127 -4.414 -2.763 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 -6.210 -5.502 -2.970 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 1.513 14.871 21.769 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 -6.611 -1.628 0.844 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 -13.506 7.035 3.829 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 -4.812 -7.376 9.801 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 -2.380 -5.661 1.057 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 15.052 -20.174 -2.424 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 1.758 -8.887 0.897 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 0.725 3.628 -7.086 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 18.808 2.463 0.648 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 -19.591 14.850 -5.298 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 7.499 3.954 -0.501 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 29.978 -25.551 -14.654 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 7.995 2.609 9.006 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 -1.976 -5.906 2.207 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 -12.391 9.229 5.442 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 7.441 -27.926 1.599 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 -7.736 -2.768 -1.309 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 3.591 4.013 4.754 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 2.687 6.075 -14.180 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 0.067 -0.728 1.697 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 -0.757 5.075 0.764 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 1.338 10.811 -7.670 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 -0.749 -3.048 -2.030 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 -3.435 -9.738 4.525 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 1.756 2.999 -8.078 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 0.690 9.733 3.414 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 3.557 -6.100 4.878 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 -3.007 10.519 3.670 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 2.295 11.811 -4.090 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 -4.949 1.114 0.794 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 12.686 10.905 -19.122 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 8.443 -2.786 4.901 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 2.478 -2.433 14.923 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 16.178 -3.747 -11.286 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 0.478 -4.756 -0.971 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 4.844 -2.662 5.053 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 -33.935 -18.909 -11.407 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 0.988 -5.781 1.466 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 -16.607 -0.003 -14.529 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 5.667 7.484 -9.838 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 -1.250 0.545 -1.293 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 -8.961 -0.016 -11.630 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 -0.093 5.071 1.787 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 -12.050 2.464 -1.857 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 -6.160 -3.090 -3.391 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 -15.886 16.780 -9.519 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 5.781 -6.518 -2.645 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 14.553 -5.013 -4.171 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 -20.149 -4.513 5.585 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 0.880 -0.137 0.805 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 17.691 15.587 12.984 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 -19.293 -14.964 21.611 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 -2.941 -7.674 1.890 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 8.942 2.831 3.468 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 -9.663 -10.577 3.258 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 5.026 -3.121 6.088 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 -9.771 9.680 12.824 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 -5.447 4.648 -7.019 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 1.868 4.308 2.686 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 11.506 -4.447 -3.793 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 0.715 8.930 3.552 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 -1.836 0.609 2.293 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 3.057 -24.500 -3.879 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 -2.391 15.322 1.564 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 3.344 -1.621 2.297 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 -7.525 5.379 1.296 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 -5.967 15.755 -0.857 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 4.093 -3.817 3.161 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 0.182 -7.258 -1.110 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 8.115 -3.099 -3.342 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 -4.069 1.689 1.856 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 7.932 4.123 3.209 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 17.471 -0.595 1.717 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 5.541 -3.295 2.065 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 -6.973 -3.454 -9.275 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 4.350 -6.252 -0.941 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 -1.351 -5.366 3.235 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 -6.725 -25.008 -10.898 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 -2.527 19.447 28.403 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 7.019 5.071 2.344 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 -12.540 1.563 18.286 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 12.158 -13.746 -15.259 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 -7.638 -2.169 2.366 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -7.454 2.887 -1.304 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 -10.844 -18.553 20.012 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 -0.987 2.057 0.094 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 -2.780 16.272 -16.755 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 4.379 -17.954 2.122 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 6.705 1.989 -1.754 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 -11.075 13.881 -0.821 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 0.946 2.543 -2.998 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 0.862 3.417 0.123 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 -9.904 -4.188 -5.148 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 -2.622 18.510 -23.778 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 3.925 8.395 0.024 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 -21.226 -2.141 -12.820 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 -6.444 15.683 5.807 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 1.430 -5.092 7.366 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 3.609 3.344 4.510 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 4.006 2.043 19.002 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 -5.661 -2.054 -10.052 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 -9.971 -9.629 -1.742 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 -18.278 -6.432 -7.107 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 -5.945 4.430 0.468 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 -5.351 7.357 -0.144 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 -8.883 4.520 1.093 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 -1.284 -2.082 -6.283 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 0.434 5.096 -11.488 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 7.717 -3.033 6.576 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 1.518 1.181 5.444 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 0.931 -1.250 12.114 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 5.597 5.076 11.226 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 1.971 -7.239 5.129 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 -0.143 0.291 15.432 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 2.563 -10.396 -10.185 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 0.499 0.642 2.286 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 3.833 1.370 3.680 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 -29.870 -4.114 -17.626 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 5.110 4.048 -2.552 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 6.438 4.628 18.254 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 16.139 22.627 23.388 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 -0.890 1.670 1.618 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 -0.955 3.147 -4.227 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 -1.427 5.400 4.592 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 -2.002 -7.249 -1.454 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 9.419 3.048 -5.007 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 7.920 7.199 -11.029 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 -0.921 0.841 -0.497 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 2.275 16.491 0.612 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 -3.881 -2.569 -9.049 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 -1.743 4.118 0.737 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 -13.613 -1.850 22.095 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 17.198 24.092 -17.514 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 6.467 -0.152 -2.762 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 18.032 -11.418 -15.710 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 2.505 16.722 -12.891 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 -1.894 -3.281 -4.977 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 3.579 -7.938 9.217 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 -28.462 0.815 4.547 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 -1.012 6.394 0.124 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 21.780 1.558 1.323 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 8.381 13.970 26.981 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 -0.469 -0.018 1.448 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 9.772 -13.116 4.317 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 8.882 -1.739 9.332 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 3.260 -0.121 -5.854 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 2.318 19.779 -6.005 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 -27.677 -5.998 9.965 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 -3.340 3.994 3.808 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 0.472 -6.313 12.502 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 1.549 -1.507 -7.374 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 1.602 1.073 -2.280 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 1.390 1.123 -0.785 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 -21.862 -14.374 6.797 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 -4.913 0.055 1.792 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 -13.358 11.093 11.178 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 2.216 9.735 2.490 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 6.347 -10.655 -0.852 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 5.249 -3.257 -13.757 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 1.859 5.491 16.092 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 -0.872 3.910 2.992 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 12.381 4.362 6.043 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 -2.268 1.576 8.711 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 -5.204 1.158 -2.692 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 -15.273 5.652 -3.015 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 -4.603 -9.137 -2.053 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 -0.826 2.151 0.195 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 -1.965 4.271 -17.259 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 2.640 10.512 -6.859 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 0.497 0.034 -2.339 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 -5.998 3.210 8.039 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 -14.655 -8.091 4.665 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 -1.711 1.879 4.534 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 1.931 19.022 8.766 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 -1.805 -1.864 0.612 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 1.637 -0.616 1.532 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 7.832 0.697 19.331 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 -3.482 16.485 -6.713 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 -1.415 6.132 0.565 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 2.053 -3.161 -2.741 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 -13.001 7.330 -5.463 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 -1.608 -12.162 -3.072 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 -3.992 -17.924 2.325 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 1.974 -3.115 20.070 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 5.178 0.333 3.030 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 12.930 0.764 7.368 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 32.171 -4.260 17.018 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 -0.575 -1.887 1.750 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 1.775 -3.422 4.417 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 -10.255 4.399 -8.700 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 3.375 -1.996 6.760 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 11.350 9.143 7.220 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 -10.133 -24.533 -0.461 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 -3.123 -5.089 6.163 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 -1.337 11.939 -0.817 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 -0.406 -10.088 7.970 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 -0.680 -1.262 -5.667 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 0.080 -0.244 -1.856 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 3.904 -2.143 -15.598 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 2.105 1.398 -0.313 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 0.017 0.792 -1.705 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 6.791 0.224 -4.172 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 1.507 3.523 -1.698 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 18.843 8.578 -17.335 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 7.325 12.793 10.163 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 5.235 4.527 -2.824 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 7.840 9.743 -7.108 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 -2.589 -15.868 -16.173 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 -1.844 -6.352 6.416 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 -13.092 -16.713 -23.684 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 8.453 5.249 -9.331 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 2.130 8.417 -6.728 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 -15.065 19.629 15.523 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 2.648 0.469 5.054 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 -0.368 -1.879 3.808 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 7.453 -0.362 10.709 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 11.047 15.740 10.940 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 1.182 -0.275 0.274 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 -6.539 2.684 21.669 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 2.910 -0.554 -26.970 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 0.922 2.364 3.483 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 -31.636 -6.485 4.987 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 14.469 18.253 21.280 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 -0.987 -1.208 2.839 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 -3.888 0.027 0.296 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 -9.434 10.414 -18.217 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 -2.714 -3.351 -6.818 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 13.404 -35.883 22.136 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 9.641 -0.729 -15.922 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 1.702 -0.898 3.018 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 -11.196 -12.550 -4.441 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 14.873 24.117 8.076 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 0.712 2.903 6.998 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 0.206 4.598 4.779 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 14.961 -11.143 -0.471 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 0.558 2.766 -1.915 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 -12.863 -2.619 -3.827 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 1.065 3.941 4.411 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 -10.654 -5.160 2.221 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 -7.941 0.780 6.352 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 8.209 6.783 1.894 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 -2.062 0.418 2.503 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 18.061 20.796 -3.449 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 -3.517 6.257 5.950 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 -4.122 -1.976 0.858 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 1.642 -8.983 7.133 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 4.010 7.298 -2.619 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 -6.926 -1.719 4.157 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 -7.743 11.584 -8.471 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 0.799 6.693 18.429 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 1.760 -2.509 0.009 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 -12.311 -14.548 1.645 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 1.843 -3.643 -14.047 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 -4.090 -0.560 5.966 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 -3.120 -1.560 7.015 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 -4.090 -8.611 2.893 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 0.854 7.177 1.804 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 24.044 -25.044 -8.240 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 -7.155 -16.707 6.166 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 -8.969 -2.978 -4.059 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 16.092 4.324 -11.290 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 21.112 13.330 -12.211 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 -0.341 0.440 5.133 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 -5.858 15.853 17.385 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 -13.756 10.174 -2.211 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 0.303 5.231 6.679 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 -4.677 4.717 13.060 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 9.776 2.820 -7.412 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 -1.356 0.411 2.707 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 -0.485 -1.088 -0.340 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 -2.836 3.282 9.103 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 -0.927 -0.827 -2.629 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 9.472 -5.465 -1.609 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 -32.135 -8.671 -3.590 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 0.842 -4.017 -4.617 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 -16.783 16.469 2.920 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 -5.290 -4.833 1.279 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 2.289 5.436 -3.499 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 3.130 -7.630 -3.766 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 -14.218 3.021 -10.035 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 -3.130 -3.647 1.783 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 -1.812 -19.218 10.802 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 12.680 -4.224 -9.041 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 2.789 1.017 -4.403 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 17.499 7.775 -12.065 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 -9.453 -6.283 -0.545 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 10.095 -3.416 -4.066 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 11.108 7.462 -12.490 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 -7.448 2.723 -6.511 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 7.830 2.946 -7.239 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 -3.610 15.792 -5.952 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 3.678 8.389 -6.281 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 8.561 0.813 3.885 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 8.059 -2.935 -18.122 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 13.005 10.204 15.220 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 -6.279 -3.502 -2.306 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 21.136 -12.198 -6.141 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 -8.706 13.790 7.553 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 -3.244 -1.808 5.043 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 -7.165 12.440 -3.650 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 9.755 -12.341 26.510 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 1.288 -5.077 -3.848 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 2.806 2.350 3.997 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 -5.625 2.938 2.137 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 -3.616 6.572 3.338 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 -19.275 -7.865 3.837 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 6.062 -0.513 -14.729 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 -8.633 -7.198 -1.783 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 3.130 -8.655 -8.825 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 -2.700 -4.778 -6.189 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 7.020 -0.462 -8.460 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 12.716 5.134 -17.703 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 5.171 6.474 -4.926 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 -8.850 -3.684 2.563 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 -13.505 -4.024 11.558 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 -16.548 3.103 -8.603 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 4.351 0.393 0.841 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 1.959 2.566 2.091 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 14.389 -9.407 -7.806 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 -1.645 -1.571 -2.275 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 -0.476 -10.649 19.157 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 -5.183 -4.208 13.181 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 -1.602 3.317 -2.547 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 -10.121 -3.225 -10.063 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 -7.890 -3.928 -13.971 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 -4.395 -2.137 0.645 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 15.506 5.799 -9.064 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 -25.569 5.382 -15.453 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 0.302 2.336 -0.734 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 -4.330 6.012 -8.050 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 -6.656 9.145 4.096 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 1.414 -4.780 -0.883 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 -0.084 4.756 -4.721 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 -2.262 -2.056 4.413 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 -1.487 -0.339 1.366 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 1.405 0.395 -0.844 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 -8.538 11.161 -6.851 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 -4.675 3.338 -3.766 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 26.993 -17.427 -1.871 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 -10.725 3.026 3.924 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 4.187 6.565 -8.779 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 0.309 -6.973 -4.161 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 1.760 8.531 -22.314 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 6.226 -3.930 -1.997 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 5.488 -11.472 -13.035 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 6.649 -3.191 2.236 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 2.648 -4.956 3.522 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 5.741 -1.531 6.325 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 6.954 0.275 1.284 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 -5.600 0.259 5.231 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 -8.280 13.551 -15.504 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 -8.594 -14.368 -11.107 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 0.311 -1.326 -4.819 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 -2.520 -0.004 -21.615 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 3.569 1.546 14.775 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 2.486 3.707 4.483 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 -2.567 1.924 10.441 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 5.007 1.703 -0.754 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 8.363 1.313 4.115 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 0.787 5.841 2.529 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 14.081 5.321 2.092 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 -0.720 2.302 9.586 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 0.470 11.964 2.760 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 1.750 -5.418 3.755 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 -4.947 -0.942 4.541 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 -3.784 -12.086 -28.115 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 -32.364 -9.611 -8.898 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 -3.036 5.381 -1.152 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 -7.236 6.092 -3.374 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 0.835 -9.198 2.694 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 3.534 1.743 -3.592 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 -8.274 -4.559 -4.555 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 1.589 18.383 -0.016 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 -6.090 1.367 -3.358 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 0.390 6.486 1.419 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 17.335 8.184 -7.112 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 4.681 -3.942 0.391 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 0.187 8.150 -8.009 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 20.008 -4.251 -17.383 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 -7.670 5.927 1.866 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 -4.521 -3.868 -14.595 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 17.892 2.984 3.977 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 2.023 -0.405 3.000 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 -9.112 -15.937 -4.627 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 2.878 -2.278 1.657 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 -1.584 3.944 3.199 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 -2.368 -21.724 11.733 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 9.424 1.742 6.780 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 -5.393 -2.981 2.104 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 -29.156 4.124 8.808 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 0.713 12.050 -2.187 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 2.735 1.694 4.790 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 3.347 1.181 7.243 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 5.504 0.985 1.832 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 -4.276 1.031 -2.486 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 2.857 3.502 10.387 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 21.244 -11.884 -3.811 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 2.264 -5.804 -1.452 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 -0.075 -0.326 -5.179 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 -11.601 2.806 2.058 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 5.966 1.442 0.652 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 -10.897 17.677 -6.706 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 -12.447 -13.611 15.840 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 -1.865 4.596 3.204 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 -9.309 -0.704 4.442 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 6.595 15.270 10.393 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 10.035 -6.795 -0.397 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 -7.528 -10.738 17.177 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 -8.606 -23.605 -6.946 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 -4.065 -1.481 -3.055 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 -13.768 16.500 -34.125 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 -8.776 17.204 10.133 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 -0.336 -6.243 -5.690 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 -0.031 -1.627 0.146 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 0.722 -4.709 -2.976 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 1.554 -4.952 5.534 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 3.054 0.458 -1.502 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 19.518 22.989 -27.486 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 4.990 5.693 -2.976 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 8.499 2.765 -4.171 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 -8.109 7.883 -6.053 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 4.484 0.970 2.349 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 -5.656 10.593 -2.064 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 15.748 11.166 -2.060 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 -9.471 2.632 -2.711 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 -11.001 22.049 0.638 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 11.007 2.250 -1.450 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 -3.233 6.800 3.708 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 -7.877 10.635 13.153 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 16.657 -3.078 -19.946 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 4.550 4.139 6.975 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 11.016 2.524 6.932 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 0.941 1.962 12.598 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 3.080 3.542 2.455 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 -16.398 -12.268 6.782 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 -11.646 -19.186 -2.156 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 5.096 0.420 -7.328 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 -0.581 7.020 -7.631 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 11.576 -9.928 -2.059 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 1.562 2.721 3.243 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 -10.392 3.054 -8.680 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 -3.403 12.906 14.000 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 -2.974 1.154 4.265 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 -3.931 2.535 13.091 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 3.392 -2.535 3.717 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 5.368 -2.355 3.409 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 5.629 -4.459 -6.313 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 37.685 -4.213 -3.204 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 5.580 3.450 1.474 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 -1.205 -6.833 -4.711 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 -1.194 -7.113 -4.757 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 -4.804 1.307 6.024 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 -9.624 0.802 -5.023 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 -4.366 1.223 7.351 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 2.335 2.076 1.695 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 1.331 18.284 8.767 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 -5.550 -17.038 0.877 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 0.239 -1.530 -7.658 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 -7.564 -0.151 -6.962 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 -13.629 -4.768 1.874 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 -4.621 -1.822 2.274 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 -22.600 -5.709 -30.844 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 -0.644 -0.800 13.728 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 2.519 -2.544 3.458 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 5.901 -3.708 0.439 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 -0.168 -1.095 5.672 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 -4.094 2.105 -0.520 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 -6.250 -1.536 -1.801 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 -22.007 6.211 -7.542 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 2.302 1.314 -3.721 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 14.423 3.671 -8.018 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 -11.372 0.275 -3.232 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 5.669 3.815 -0.784 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 -8.361 7.647 5.255 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 -4.118 -3.199 21.595 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 -11.096 -0.922 -7.350 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 10.511 8.871 -7.445 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 -4.572 2.184 -7.312 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 7.729 -0.952 -3.059 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 2.928 4.192 -7.134 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 -18.303 25.352 -29.481 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 3.526 -6.698 2.775 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 24.486 -0.496 12.800 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 8.522 5.126 -0.272 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 -2.200 -4.125 5.340 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 1.185 14.845 6.603 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 -9.537 -11.808 13.460 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 -10.039 5.849 5.068 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 -11.013 0.573 -1.560 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 -10.552 16.398 3.501 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 0.580 -4.483 -3.532 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 -5.417 -15.547 -4.645 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 1.090 11.322 9.824 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 -2.210 2.301 2.497 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 13.514 0.655 11.151 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 4.500 3.877 6.619 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 2.484 7.562 -4.993 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 -13.935 -4.560 -7.428 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 9.170 30.670 -8.412 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 -0.203 1.315 8.350 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 11.824 1.876 13.020 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 -15.118 -7.861 -7.938 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 -1.149 -4.863 2.268 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 -2.839 -7.431 -0.548 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 -0.212 -4.525 2.785 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 2.175 -1.880 -0.694 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 -17.454 -6.234 8.194 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 -14.549 -24.296 5.989 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 -1.600 -4.543 -2.473 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 0.430 13.564 -14.886 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 9.393 -13.354 -4.020 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 -0.562 -1.846 -2.362 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 3.488 -1.513 -18.871 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 -2.986 -3.297 16.879 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 0.412 -4.792 1.752 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 1.559 -19.128 10.145 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 5.150 -1.991 -0.952 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 7.834 -1.077 -1.498 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 30.662 14.584 -10.724 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 1.920 -8.118 3.428 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 -1.889 0.819 0.990 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 -3.826 0.906 -3.591 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 2.790 -1.407 5.414 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 -3.717 -1.594 2.714 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 -9.178 2.683 0.237 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 -24.490 -20.318 -10.242 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 -3.815 -0.931 0.151 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 28.644 -1.328 -17.891 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 -31.304 -2.095 18.961 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 -0.278 2.393 -9.257 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 1.735 19.071 -3.936 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 -5.306 -4.848 -21.157 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 -0.053 -7.226 2.033 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 20.552 -35.682 -19.584 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 14.313 18.743 -28.544 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 5.528 0.222 9.996 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 7.962 -2.043 7.943 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 7.546 12.425 -23.630 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 4.493 -0.872 -0.889 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 26.551 17.299 -21.004 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 8.192 7.049 -7.580 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 5.530 -0.552 -1.447 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 37.370 -12.408 18.332 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 1.869 -3.964 26.292 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 -4.121 2.236 -0.273 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 -16.562 1.038 -0.184 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 -1.332 -35.266 10.004 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 0.017 6.367 3.436 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 -2.294 15.130 9.063 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 -15.692 1.121 -3.527 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 -1.652 3.357 0.513 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 -1.615 1.902 -0.566 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 -4.528 -22.614 -19.891 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 -2.986 -2.395 -4.048 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 -9.079 24.033 5.276 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 16.856 1.679 -24.060 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 -3.839 2.092 1.443 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 -9.113 10.121 -20.292 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 7.244 -6.621 -14.163 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 0.663 7.303 -9.745 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 -4.566 1.693 -0.796 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 12.332 -1.011 7.501 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 -4.304 5.819 -2.718 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 -9.250 7.047 -4.991 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 -6.702 6.532 -3.545 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 -0.802 -3.083 -0.373 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 12.464 -7.108 14.762 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 -1.292 1.421 4.727 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 -2.986 0.409 -3.165 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 -12.335 9.274 -25.737 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 5.897 24.685 4.111 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 1.785 -4.823 0.284 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 7.225 17.743 2.937 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 -31.171 -5.673 -0.594 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 0.075 0.684 7.694 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 -14.143 -9.956 -13.475 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 -17.118 -9.494 -18.233 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 6.607 0.768 3.668 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 -1.991 -7.977 -0.852 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 10.216 -1.551 -7.760 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 0.642 -0.682 4.463 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 -0.854 5.134 -6.374 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 7.788 5.237 2.361 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 0.311 3.425 3.481 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 10.430 -6.857 -9.757 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 2.471 7.250 10.013 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 -0.019 -3.141 -6.675 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 27.818 16.596 -9.585 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 -12.330 -11.642 -5.983 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 5.349 2.113 0.347 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 7.925 5.933 -6.557 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 -4.322 -0.452 2.561 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 4.903 3.743 2.871 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 4.280 -1.182 -3.760 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 -4.499 11.529 1.271 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 2.983 2.910 -1.605 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 10.214 -8.844 -0.352 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 6.876 -16.799 -8.016 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 2.796 4.952 -8.040 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 -26.227 0.282 -38.020 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 -12.148 8.970 -2.032 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 1.423 3.998 -0.520 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 5.356 16.667 5.353 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 -6.460 -1.556 -22.249 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 -4.554 -3.210 3.998 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 0.722 -1.667 1.248 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 14.764 0.375 20.791 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 -1.184 -2.231 -0.952 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 16.234 6.036 -5.170 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 11.305 -1.179 -11.437 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 1.520 3.442 4.689 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 12.869 -5.293 2.733 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 2.067 -3.753 19.642 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 2.131 -1.920 -2.971 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 7.922 8.628 8.171 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 13.516 -7.607 -15.957 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 -0.787 2.690 -2.459 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 -3.883 4.604 -4.701 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 -0.654 5.916 -6.007 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 1.874 0.342 -7.012 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 18.466 1.295 19.059 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 4.864 -20.093 -22.425 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 4.645 -0.339 4.780 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 0.644 0.295 -16.735 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 -7.611 -12.115 -13.836 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 5.648 6.350 0.458 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 -7.240 0.331 21.959 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 -8.739 11.118 -12.705 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 -2.878 2.012 3.197 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 -1.040 12.946 4.646 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 3.340 -1.252 -7.227 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 -14.883 0.297 -2.303 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 -31.292 24.006 -7.616 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 5.172 -2.101 -16.394 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 -7.763 -3.329 -0.783 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 -18.505 -10.376 1.008 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 9.851 7.799 -4.475 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 -6.389 3.895 0.783 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 1.983 3.339 -12.326 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 9.681 5.517 -13.934 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 -1.089 -0.274 4.135 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 -0.070 7.952 6.123 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 1.901 -3.328 31.989 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 -8.767 -0.624 0.737 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 -9.013 -6.256 1.412 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 -7.467 6.039 -11.204 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 5.437 2.252 5.006 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 12.220 -0.295 7.795 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 0.332 11.246 5.593 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 4.395 6.625 2.455 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 10.946 -8.377 -3.334 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 8.735 13.988 3.787 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 -3.648 -7.767 -2.028 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 27.071 -8.384 -13.063 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 -1.134 11.354 -19.117 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 -2.840 2.312 0.938 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 -10.889 14.204 -0.343 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 -13.555 12.777 2.493 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 -2.795 -0.088 2.015 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 -23.251 18.389 -30.975 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 13.148 26.867 16.994 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 6.077 0.777 6.532 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 2.363 -18.725 -4.576 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 21.798 -24.396 12.736 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 4.075 1.870 -0.257 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 3.534 -13.692 -6.980 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 12.248 9.356 -11.890 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 3.662 3.120 3.783 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 -19.210 9.920 16.892 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 23.005 4.293 -14.298 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 3.178 2.028 -4.902 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 -25.075 3.365 17.443 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 -12.070 15.389 0.304 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 -1.591 -4.695 4.933 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 11.112 -2.098 -2.003 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 12.327 33.338 0.298 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 -2.316 4.911 -2.198 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 -22.152 1.483 -3.761 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 5.599 1.758 -0.732 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 0.943 -7.116 1.719 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 8.391 -1.966 -13.514 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 -1.260 16.279 8.874 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 2.750 2.105 6.153 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 0.887 6.526 -14.819 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 16.990 11.025 14.591 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 -4.698 9.326 -1.222 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 6.155 8.611 13.424 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 2.518 8.032 -8.805 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 -0.475 -5.435 -5.255 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 3.509 -11.817 -0.143 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 16.916 0.560 17.345 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 -1.023 0.660 -1.908 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 -3.596 5.144 -0.363 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 -3.029 12.450 11.361 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 2.372 -4.562 5.078 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 -6.874 6.780 11.687 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 5.129 -9.101 5.731 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 -1.142 2.318 -3.215 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 11.643 13.207 -9.069 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 -11.073 -21.671 2.887 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 6.498 2.678 4.605 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 4.840 9.582 -8.221 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 5.554 -0.104 -6.490 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 5.123 -3.802 -0.396 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 7.733 7.497 -12.142 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 -2.010 22.287 -23.108 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 -8.571 -3.238 0.043 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 5.017 12.171 23.551 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 -14.332 -10.343 -16.628 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 -4.355 3.595 -2.697 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 -0.062 -8.051 -3.086 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 -27.842 -58.059 1.767 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 2.125 2.861 5.015 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 2.743 0.287 -1.451 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 -5.175 13.123 27.263 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 5.927 -5.412 1.031 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 5.292 -0.539 6.670 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 -16.459 8.265 30.953 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 6.466 0.191 0.858 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 18.667 -2.283 -5.398 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 7.877 5.190 1.048 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 1.226 -1.225 -0.626 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 -3.625 -8.905 -7.877 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 5.469 13.365 13.269 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 1.828 -1.244 -7.815 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 11.797 -3.956 -5.349 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 -5.885 -6.453 -0.917 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 6.934 4.752 4.744 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 9.783 -4.491 8.866 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 4.504 8.362 0.084 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 5.678 0.906 -0.661 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 9.123 1.803 -19.332 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 6.508 16.397 7.982 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 7.632 5.900 -1.512 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 -1.258 -13.151 4.912 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 -1.168 15.695 -5.171 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 -3.547 1.082 4.138 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 0.649 -11.395 9.374 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 -20.012 -11.612 -4.829 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 3.938 6.949 -3.684 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 0.753 13.882 5.392 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 3.551 -8.433 4.037 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 3.014 0.438 4.710 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 3.553 -6.168 -2.058 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 7.839 18.943 -15.627 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 1.167 0.246 4.549 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 4.201 -1.103 10.613 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 -4.110 -18.717 3.733 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 -1.771 1.704 -1.975 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 -17.398 -4.274 -14.402 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 3.077 3.902 1.559 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 -8.283 -0.108 4.365 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 -2.837 8.878 10.212 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 -20.728 10.040 5.392 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 -0.332 -6.006 -6.881 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 -6.912 -2.997 -0.776 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 -12.547 -10.270 -19.368 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 -0.138 2.490 -2.106 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 2.469 13.601 3.052 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 -3.468 -13.742 -9.094 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 7.402 1.990 -7.598 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 -10.567 31.919 1.908 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 13.239 -13.695 -19.352 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 -1.467 -1.090 -5.443 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 9.294 -15.283 1.795 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 9.101 -26.730 -1.868 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 -2.211 4.568 -2.236 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 4.040 11.944 2.855 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 -2.637 21.160 -2.345 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 1.031 -2.206 0.336 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 4.259 0.415 -3.517 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 11.744 -2.034 -3.408 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 -0.904 -5.414 5.992 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 -4.527 5.269 1.101 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 -4.248 1.184 9.057 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 3.674 -3.599 -3.411 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 7.999 -3.934 -2.136 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 -13.542 -20.932 1.049 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 -4.806 -5.882 -3.934 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 -10.216 6.265 14.119 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 -18.509 -6.491 5.172 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 -2.568 1.600 -8.671 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 -12.586 19.355 3.767 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 -16.703 14.456 2.105 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 0.087 0.860 -11.708 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 9.147 0.443 -0.959 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 -3.542 5.171 -20.638 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 0.095 -4.451 4.692 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 4.372 19.203 3.731 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 26.340 -18.035 3.939 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 4.259 3.794 0.308 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 -10.113 20.083 -4.043 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 -21.990 -4.235 7.903 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 0.015 0.112 -0.462 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 21.296 2.064 -4.969 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 6.485 -6.823 -12.477 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 0.922 3.352 -4.156 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 -22.910 1.171 20.677 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 11.698 3.920 -14.780 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 7.637 -3.742 4.883 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 -0.770 3.519 9.564 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 16.950 -17.580 2.449 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 2.004 -1.156 0.408 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 4.849 0.602 -0.028 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 -9.961 -0.827 -0.693 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 -1.915 0.822 -3.818 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 -27.129 11.185 -6.577 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 15.735 26.415 -27.146 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 -1.706 1.142 7.592 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 -16.939 6.462 -9.579 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 -17.135 4.109 5.660 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 3.932 -3.414 1.473 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 -8.144 -9.407 1.447 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 5.242 -0.296 -9.298 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 0.502 1.425 -5.017 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 7.505 -1.051 -13.200 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 4.366 12.979 1.868 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 3.629 0.325 -2.662 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 2.175 16.693 10.301 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 -9.894 12.554 8.078 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 -3.458 0.330 1.183 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 5.339 8.860 -7.549 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 9.276 -4.728 6.476 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 6.809 -5.041 -3.504 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 4.113 -6.962 -2.571 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 0.427 -1.255 -3.175 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 2.358 1.459 4.784 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 -5.474 7.676 -0.087 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 12.863 -8.065 -26.652 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 0.960 -9.574 -3.966 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 2.140 -0.377 -19.376 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 10.175 1.137 7.040 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 2.457 0.341 -5.068 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 5.686 -1.242 -10.226 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 12.491 -4.507 -10.008 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 -3.345 -1.121 -3.514 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 -1.926 -0.596 -7.253 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 -10.416 2.364 2.478 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 -2.153 -4.511 7.249 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 -0.060 -6.360 5.027 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 -9.512 -1.779 2.482 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 -0.165 6.790 -4.821 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 9.111 13.404 5.271 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 6.621 -10.174 13.987 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 4.233 2.826 -5.139 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 33.924 -1.579 24.919 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 4.263 13.147 -28.003 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 -6.910 13.616 6.098 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 -6.255 13.269 2.471 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 -1.809 9.768 33.942 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 5.972 -4.598 2.389 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 7.232 -5.566 -2.987 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 -0.847 -0.495 5.228 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 2.016 6.968 0.247 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 -5.819 -1.895 -40.395 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 -0.291 -20.563 -23.530 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 9.860 -4.297 0.174 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 0.695 7.680 -6.273 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 -8.396 -0.005 -2.760 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 0.071 0.083 1.264 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 -0.789 0.425 -1.095 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 10.431 -0.871 -14.539 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 1.912 6.911 1.717 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 -6.068 26.906 3.514 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 11.907 -29.114 0.295 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 -0.279 -4.247 2.558 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 -5.227 -19.118 5.346 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 1.421 2.365 0.469 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 2.095 -0.716 3.162 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 -3.351 -9.929 5.767 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 -4.952 -7.058 4.561 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 -2.620 2.296 -2.557 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 0.409 2.649 -4.012 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 0.867 3.461 -3.575 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 -0.270 2.334 -0.368 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 1.437 3.574 -7.380 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 -0.958 0.803 6.369 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 -2.019 4.363 -4.257 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 15.825 -3.807 -6.996 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 7.162 21.458 13.112 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 -1.066 -6.312 1.284 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 -19.887 -0.225 -15.256 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 12.038 2.098 4.571 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 6.968 -0.178 -2.192 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 12.184 6.353 10.393 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 2.565 9.374 -9.515 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 1.962 3.288 2.907 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 -16.463 18.554 -4.092 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 13.356 11.189 -37.620 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 2.796 1.391 -0.269 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 -0.137 18.020 -11.989 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 -2.311 11.746 -17.542 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 10.654 -3.878 0.055 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 9.620 3.286 4.460 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 5.503 -3.946 -5.526 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 0.277 3.428 -0.094 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 1.342 -2.129 3.966 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 5.176 10.925 -12.349 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 -3.965 -1.099 -2.239 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 -7.311 -7.050 -8.437 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 -1.288 0.763 -0.168 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 6.306 -0.419 5.764 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 1.723 2.902 6.276 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 5.834 -16.708 -15.051 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 -2.277 -3.182 2.070 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 -4.361 -16.013 -1.094 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 -16.252 -18.378 2.283 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 4.127 -0.324 -0.002 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 9.618 -6.655 11.127 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 -1.594 18.107 5.137 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 4.228 3.928 2.674 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 -14.124 -7.161 -2.850 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 18.765 13.491 -0.679 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 3.353 4.464 1.773 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 -24.835 24.424 -12.383 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 -6.155 -8.538 34.684 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 -7.906 6.853 2.671 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 -30.408 -0.196 -7.675 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 0.905 -19.682 -12.008 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 8.754 -1.270 -2.312 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 14.746 3.434 -5.196 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 2.635 12.900 -11.341 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 3.042 -6.571 -0.778 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 -16.649 2.317 -7.222 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 -3.716 -17.593 -6.955 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 -3.980 -1.738 -7.462 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 -12.248 3.793 -12.510 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 -0.551 16.623 -15.397 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 -1.088 -3.933 3.663 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 1.626 5.671 -11.895 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 11.604 -4.963 0.322 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 -3.791 0.691 9.065 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 -19.364 9.133 -8.906 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 11.797 2.248 -7.038 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 0.963 -2.534 6.816 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 4.262 2.871 -12.371 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 -3.836 2.373 -2.061 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 -1.225 -2.555 1.578 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 0.830 9.408 -16.573 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 -11.739 -7.076 -7.736 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 -2.957 0.370 -0.612 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 8.293 -32.952 -5.623 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 -2.593 9.594 -5.788 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 -4.169 0.018 -2.142 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 -8.081 -6.256 -3.357 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 -1.427 1.181 -8.547 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 -7.714 5.906 -2.419 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 -3.579 -14.336 5.828 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 8.202 -7.717 10.358 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 14.243 -8.222 1.594 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 19.845 -19.639 -7.228 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 2.339 -15.730 -6.159 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 -4.463 -2.895 4.303 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 -9.708 -11.994 18.902 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 17.127 -10.746 -6.649 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 5.358 -2.955 -4.414 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 -15.507 5.872 -17.218 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 -28.770 -7.984 4.426 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 -3.029 7.097 -0.053 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 -7.734 -6.469 -18.802 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 -20.684 3.678 13.685 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 -1.409 5.996 1.055 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 2.782 1.741 -21.403 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 19.606 13.456 8.968 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 2.309 0.715 4.845 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 1.486 8.813 11.464 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 -8.516 7.611 5.102 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 -5.747 -0.601 -0.876 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 -7.451 -9.326 17.998 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 -20.067 10.069 1.569 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 0.914 2.554 -1.349 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 -24.945 -27.573 -16.307 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 32.984 -18.115 7.802 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 2.121 -2.745 -3.544 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 18.925 -9.258 19.909 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 -19.370 6.617 16.542 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 -5.348 -0.451 -6.052 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 -23.452 7.158 -27.441 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 11.744 -12.792 -18.737 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 4.798 2.516 2.341 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 16.320 -14.127 26.280 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 -13.867 -0.626 -1.118 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 2.072 2.846 3.549 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 1.051 3.035 -6.279 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 -4.138 20.705 -5.780 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 0.667 0.236 -1.389 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 22.974 -3.734 0.587 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 -4.191 5.025 19.374 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 -0.039 12.453 -3.826 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 -12.152 -18.733 2.733 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 10.015 -11.051 24.950 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 4.453 4.162 0.878 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 4.085 -6.994 1.802 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 -2.785 16.002 8.941 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 1.648 -0.386 2.006 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 6.388 -7.419 -1.658 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 6.965 -6.139 -3.063 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 -1.982 -0.940 2.882 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 -2.631 -1.171 3.176 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 -2.426 -1.507 2.271 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 0.624 2.708 0.388 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 17.445 5.423 9.877 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 -6.366 16.225 2.478 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 7.219 1.873 -1.330 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 -0.475 11.415 -3.933 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 0.255 8.586 0.710 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 -0.804 -4.114 -4.944 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 1.915 -0.103 -24.140 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 10.346 23.444 34.887 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 -1.574 4.579 -0.466 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 1.600 -15.850 16.202 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 2.404 -6.304 5.876 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 2.718 -0.304 0.344 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 -7.299 -7.717 -7.332 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 -2.495 2.515 -6.580 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 1.057 -3.384 6.041 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 11.621 -6.685 4.095 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 -23.273 0.090 13.558 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 5.379 -0.339 -2.032 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 0.512 9.119 -9.186 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 3.943 -17.968 10.250 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 -1.109 -1.417 -1.951 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 15.075 -12.184 6.612 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 3.132 12.412 -7.203 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 6.488 1.610 -1.580 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 -1.877 -14.075 14.941 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 -12.998 20.556 2.105 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 0.276 -1.170 -0.732 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 0.337 -14.149 -8.429 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 -11.528 -3.808 5.213 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 -10.187 3.763 -0.437 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 -2.066 -2.085 -0.715 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 -8.584 -0.359 -0.965 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 -5.267 0.397 -3.640 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 -0.535 37.767 14.707 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 -8.497 11.563 5.886 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 6.084 5.402 0.587 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 2.042 9.328 -29.955 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 23.389 -16.492 6.212 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 1.209 -3.708 2.556 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 7.929 -5.346 2.949 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 -4.578 -4.681 3.732 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 5.992 5.149 -1.634 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 11.403 9.122 3.240 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 -14.389 -8.675 -19.626 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 -1.916 -1.517 7.576 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 1.624 -8.358 4.196 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 -7.733 -4.593 12.120 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 -4.381 -2.827 2.758 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 -3.468 10.002 -6.997 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 -4.264 4.285 13.519 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 -5.868 6.181 -5.176 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 -16.573 4.085 -0.069 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 5.591 6.404 -10.627 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 -1.397 0.181 -5.078 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 4.091 -2.208 2.799 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 0.560 1.211 -13.045 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 4.488 -4.871 -9.426 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 3.134 -2.561 25.026 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 11.996 -4.013 -14.175 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 2.429 -1.691 -2.963 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 -14.019 19.777 15.761 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 18.387 -2.378 -6.600 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 2.891 -4.759 -0.927 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 22.045 2.229 -15.190 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 8.197 17.744 -23.709 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 1.565 -2.860 -5.930 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 -11.736 16.128 -0.093 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 21.787 -1.635 3.922 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 -3.690 -2.727 -1.095 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 -8.552 -5.231 8.190 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 -10.623 6.599 7.999 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 0.758 0.162 -5.676 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 6.260 -3.586 11.381 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 9.561 -1.680 11.971 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 -8.545 -0.118 1.760 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 -11.445 12.508 9.071 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 -14.178 10.626 -5.434 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 3.948 2.079 -2.319 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 14.487 -8.294 -20.848 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 -3.109 -12.743 -16.565 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 -3.446 -1.205 -4.604 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 -8.526 4.093 -4.597 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 8.356 17.777 -4.159 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 -0.773 0.681 -7.157 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 -3.687 4.781 15.535 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 -4.530 4.284 0.358 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 0.054 -2.741 4.977 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 8.458 0.587 -26.661 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 -21.836 11.039 5.889 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 -0.965 0.464 -1.482 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 1.592 -5.605 25.105 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 -16.090 -0.931 -5.273 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 0.179 0.588 -4.116 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 5.896 -1.658 4.926 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 -10.056 3.224 -12.867 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 -3.567 0.199 1.810 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 -22.979 -17.681 3.483 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 -0.842 2.310 2.874 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 -6.753 0.435 2.179 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 0.194 15.970 -9.907 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 -9.297 -2.261 4.818 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 -2.166 -0.265 -1.084 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 -2.716 -8.829 -5.868 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 0.092 -2.598 -3.930 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 3.055 -5.102 -4.487 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 2.130 -12.818 -12.063 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 -10.308 -4.148 -1.674 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 -1.447 1.652 -6.820 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 -0.261 -3.261 -18.246 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 -25.595 7.103 -1.923 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 7.761 1.492 6.531 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 21.046 -2.472 -1.390 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 -5.208 16.649 -12.293 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 -7.398 2.084 -2.774 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 -20.407 -21.333 -10.577 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 -9.431 0.147 10.820 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 -1.866 0.667 -2.382 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 -0.331 6.514 21.795 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 -1.798 1.295 1.202 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 4.987 0.027 0.315 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 -7.148 4.393 -1.629 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 19.817 -3.930 2.288 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 -2.778 3.404 0.007 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 -13.908 -27.406 33.130 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 13.054 -4.308 17.209 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 10.426 3.587 3.521 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 2.700 10.421 -5.704 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 17.141 -7.612 -2.293 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 2.869 -1.998 -7.338 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 -12.882 -0.945 29.955 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 13.349 2.265 -4.389 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 -3.857 6.853 -6.663 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 -15.445 0.488 -9.758 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 -0.311 -6.006 -8.577 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 -3.859 -3.720 -10.141 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 4.413 14.631 -0.159 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 -13.941 -2.598 -19.598 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 4.265 3.576 -4.642 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 21.380 -9.353 13.486 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 -13.745 2.265 20.713 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 1.386 7.833 -0.195 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 20.358 -4.487 28.518 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 9.748 15.007 -34.252 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 1.355 -2.020 -1.480 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 9.318 -10.441 9.828 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 10.353 -32.913 18.186 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 2.846 4.655 1.927 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 0.100 3.362 5.450 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 0.685 -9.471 -3.261 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 -5.056 -0.428 0.355 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 -8.849 -7.412 0.258 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 -19.761 -19.988 0.378 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 0.054 -0.749 7.931 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 1.101 5.850 3.554 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 26.531 2.809 5.604 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 0.972 -1.430 3.404 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 1.997 7.782 -5.100 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 -1.167 2.379 -1.967 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 -2.493 0.532 -9.352 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 2.893 -2.628 -8.854 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 14.428 -2.769 -14.699 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 -4.912 0.194 -2.089 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 -23.575 -7.435 5.934 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 1.446 20.507 2.028 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 -0.774 -3.509 -3.018 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 18.926 -5.420 -2.757 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 -16.984 -5.675 32.099 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 3.224 1.291 -4.639 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 0.360 -7.825 -9.975 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 7.380 5.334 2.062 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 -2.332 -0.095 -1.452 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 -8.415 18.010 22.315 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 11.374 2.633 4.652 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 -3.816 -5.036 -3.924 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 -1.275 -6.607 -2.646 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 -5.823 -2.160 -0.893 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 0.823 -0.684 7.216 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 -6.600 2.726 14.159 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 -3.648 17.383 -9.101 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 -2.310 6.852 -4.739 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 6.208 -21.169 20.047 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 -4.073 -16.126 16.792 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 -0.177 -1.746 8.776 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 -25.790 7.592 -13.382 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 -6.217 -3.238 24.838 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 -7.879 -0.331 0.840 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 -9.533 -2.100 -10.029 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 -5.135 -16.812 2.092 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 3.249 -3.175 2.244 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 7.672 -14.276 -1.018 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 7.555 -0.335 10.101 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 9.034 -2.535 -7.034 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 0.060 7.744 -15.430 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 -5.131 -7.311 -9.059 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 9.028 5.306 -2.231 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 4.514 -5.841 9.382 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 4.893 -3.298 5.823 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 -2.076 -2.402 1.450 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 7.010 11.381 3.113 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 5.137 -18.020 7.867 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 4.138 6.963 -3.313 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 7.205 0.920 -6.340 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 -1.109 1.883 4.030 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 0.815 5.858 -3.745 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 11.541 -6.595 5.394 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 -21.994 6.609 -6.690 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 4.134 3.667 0.597 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 -2.819 0.653 -1.075 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 17.816 8.801 11.063 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 0.220 -7.018 2.561 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 5.852 -12.318 -5.188 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 1.920 -0.752 3.570 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 3.876 -5.700 9.674 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 -1.767 2.392 11.806 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 4.470 0.703 12.907 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 8.760 4.433 1.219 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 -8.476 -11.737 9.277 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 12.796 0.926 5.774 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 1.888 -3.518 6.449 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 -3.995 8.489 -2.987 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 -5.234 -21.928 2.898 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 2.595 4.523 0.293 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 5.812 24.490 0.815 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 -10.094 -9.598 3.676 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 -4.557 7.729 -5.149 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 0.196 15.294 -17.728 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 -15.659 4.386 2.205 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 5.434 -1.559 3.969 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 10.697 -2.801 6.236 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 -17.649 -12.593 -8.530 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 3.978 4.827 1.954 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 2.063 17.687 -30.678 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 33.853 -7.491 3.761 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 -0.612 -4.292 4.414 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 18.198 -6.462 11.589 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 14.223 -7.547 -7.189 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 -2.065 -0.578 0.750 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 -7.965 6.955 1.310 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 8.363 2.454 3.573 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 -2.903 4.689 -7.010 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 -4.252 -9.900 -19.360 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 10.380 4.831 -12.150 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 -3.164 0.041 -1.367 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 -8.370 18.084 -11.569 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 -0.101 5.448 -7.816 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 1.541 3.165 1.257 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 -13.098 -3.021 19.054 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 15.072 3.180 2.514 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 -1.887 5.303 -4.199 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 -2.881 12.506 4.380 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 20.645 -14.521 -12.831 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 5.950 0.789 -3.371 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 14.694 -42.653 10.626 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 9.228 -6.690 -28.311 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 0.587 -5.360 -3.569 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 16.602 -6.878 7.963 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 2.255 -10.235 -7.742 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 -3.290 5.705 0.840 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 0.280 5.973 3.726 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 -3.899 2.395 2.191 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 -1.954 6.862 0.940 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 18.836 17.703 -24.026 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 2.884 13.588 -8.399 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 -0.092 -7.851 -5.449 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 -23.450 -20.184 -28.563 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 5.793 -30.655 9.975 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 5.118 2.893 0.946 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 34.900 -11.874 -0.175 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 -3.351 -8.593 -16.552 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 -2.430 -5.557 1.623 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 14.980 7.479 12.511 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 4.914 -1.786 -23.908 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 -0.806 0.527 3.371 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 0.308 5.962 9.944 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 9.845 -10.638 7.837 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 -2.813 1.972 -6.746 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 -15.598 6.885 -27.417 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 1.509 5.631 -21.489 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 -2.339 0.261 -3.303 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 -11.289 -8.041 -13.153 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 14.645 -19.210 -11.193 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 3.410 2.212 0.958 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 21.074 -0.903 -1.432 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 -4.243 -3.603 -7.870 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 1.730 6.472 -0.062 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 32.299 11.678 -7.944 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 -7.191 14.855 -3.349 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 4.328 3.282 -1.293 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 14.021 8.655 2.825 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 18.941 10.228 6.851 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 -2.935 -8.517 1.696 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 15.379 -18.247 0.906 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 -9.816 -7.348 -21.491 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 -2.726 1.318 5.960 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 3.075 11.231 -23.095 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 -8.513 -3.920 27.015 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 4.401 4.524 -1.373 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 1.045 7.572 5.698 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 18.707 -0.109 -4.153 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 6.482 -4.289 -3.082 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 -15.601 7.354 19.509 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 7.997 -4.631 -5.799 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 0.608 1.696 0.463 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 3.636 -0.664 0.560 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 -13.395 -0.833 13.763 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 2.113 1.337 -2.666 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 -2.324 5.185 -17.494 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 6.729 0.802 -1.655 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 -2.830 4.108 -0.050 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 -20.954 4.051 -0.449 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 -6.268 1.280 7.297 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 -1.934 -0.776 7.309 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 9.160 -22.159 0.814 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 19.753 -9.889 13.597 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 2.161 -0.440 -0.134 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 9.335 -6.247 -4.391 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 1.284 8.822 3.640 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 6.298 -6.333 5.818 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 6.572 -5.849 1.997 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 3.965 -11.152 18.341 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 -2.176 -8.009 -1.277 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 -14.691 42.149 -2.634 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 -8.756 50.185 -11.746 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 -2.302 5.215 -2.056 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 -8.228 33.574 24.231 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 24.581 -17.801 -14.319 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 -1.028 2.468 -5.277 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 0.202 -23.497 -32.120 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 21.409 -1.923 2.731 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 -0.491 3.053 -2.501 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 -5.691 1.735 1.706 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 -2.625 1.733 -9.401 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 -2.186 -4.658 0.166 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 -9.037 1.867 -1.601 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 -4.751 -2.852 1.998 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 2.236 0.576 1.984 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 -15.737 -5.832 -18.423 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 -2.401 -19.464 -12.036 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 6.432 1.356 -4.944 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 16.652 3.495 -8.135 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 11.257 15.572 -1.117 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 2.925 -0.772 0.783 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 7.732 -2.192 -13.719 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 12.047 -2.747 8.136 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 -2.481 -1.711 3.188 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 -9.996 -14.301 40.225 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 -10.939 -6.526 11.986 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 5.472 5.802 1.180 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 3.248 1.849 -4.405 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 8.637 10.052 9.469 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 -1.626 -3.846 6.653 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 -7.367 -10.933 -0.064 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 1.995 -1.030 11.310 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 -6.953 -2.700 -4.077 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 -3.416 -9.939 -7.058 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 -3.303 -2.153 -8.362 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 8.142 -2.578 5.439 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 6.535 -6.527 2.999 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 9.680 -3.710 9.257 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 -2.575 3.945 1.093 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 -3.572 -7.128 -7.750 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 3.253 10.470 -5.403 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 2.781 -0.268 3.563 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 1.239 -3.758 1.419 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 -6.497 1.753 -20.026 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 1.772 -0.445 -8.659 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 -8.636 -10.765 -11.277 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 -1.947 -5.778 -26.912 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 2.448 -0.374 -3.531 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 -8.282 2.575 3.190 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 -2.912 -0.235 -7.754 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 -5.791 2.584 2.209 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 -7.318 4.251 -1.077 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 17.051 18.945 11.593 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 -3.098 -5.588 0.652 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 -8.279 17.758 16.104 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 -8.967 -0.183 13.964 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 2.750 4.317 -3.214 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 11.936 15.096 15.787 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 6.678 0.247 -14.379 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 4.090 1.448 -2.224 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 -3.136 10.474 20.470 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 4.678 -15.481 20.274 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 2.417 -6.544 -7.819 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 -20.588 -13.584 -1.975 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 4.660 -17.057 19.345 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 -2.272 3.054 3.799 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 1.836 -4.512 6.258 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 -2.656 15.203 -9.880 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 5.377 -0.242 3.687 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 -8.900 0.635 8.691 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 -0.382 -11.604 -2.394 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 2.018 -1.452 2.281 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 8.346 -0.936 2.421 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 0.763 -0.552 25.591 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 5.781 1.385 1.361 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 -14.075 -14.713 11.499 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 10.762 5.239 -2.513 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 -5.020 -2.788 1.836 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 -20.224 8.246 5.985 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 -3.326 0.564 5.946 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 -3.062 2.237 -2.915 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 0.717 2.191 -2.198 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 6.921 18.804 7.925 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 -1.545 2.037 -0.884 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 -1.715 -33.988 -10.567 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 -14.914 -10.409 4.489 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 3.144 4.252 2.941 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 1.438 3.290 -4.889 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 6.451 -6.987 2.817 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 2.137 -6.152 1.817 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 -17.088 -11.584 -2.724 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 1.899 6.170 3.861 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 -0.974 -0.848 -4.624 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 -3.301 -3.823 -4.840 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 -6.543 -1.339 0.351 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 3.150 0.519 3.806 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 1.505 3.334 7.685 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 4.071 7.329 -6.190 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 -0.773 -2.457 -2.717 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 -8.214 4.213 6.810 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 -5.843 1.559 4.475 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 -6.121 -0.122 -5.633 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 -6.346 -4.922 2.565 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 -8.440 5.778 1.588 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 -0.136 0.547 1.289 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 -12.556 1.741 15.628 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 -1.778 -2.839 22.619 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 0.059 1.049 6.204 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 -4.523 4.815 -9.539 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 17.006 -3.474 3.067 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 -7.104 -3.953 0.306 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 -4.621 -13.876 -8.723 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 -1.132 3.038 4.763 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 -4.011 9.066 -6.659 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 -7.743 17.869 -6.114 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 -15.977 0.784 -11.372 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 2.040 1.571 5.758 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 11.153 -18.203 34.981 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 -0.824 7.479 -0.302 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 1.157 2.073 -2.849 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 -3.964 3.878 -0.134 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 0.076 17.260 1.860 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 5.067 -3.633 -8.284 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 -11.637 17.518 5.374 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 6.018 -4.576 -8.430 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 -0.141 -2.596 0.867 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 11.359 -4.699 13.066 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 6.377 16.593 6.558 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 -0.234 2.606 1.737 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 2.142 -11.339 -5.129 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 0.582 -11.116 -2.119 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 -4.285 4.052 6.063 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 7.377 14.356 -9.157 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 -12.104 9.326 15.605 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 -4.512 1.383 -1.428 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 8.367 -41.115 -1.517 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 3.663 11.170 -13.142 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 8.140 3.861 0.346 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 16.785 8.104 -1.037 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 -15.019 -2.568 -1.913 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 -6.308 -3.748 0.515 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 -12.917 -0.650 27.915 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 2.265 -22.352 -4.507 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 -6.978 1.879 -1.981 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 -6.250 0.978 -7.047 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 27.660 13.624 0.287 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 -1.404 4.455 -5.605 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 -8.655 -6.648 8.837 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 -5.578 -10.026 -2.961 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 4.088 -2.549 3.527 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 -14.434 0.568 -11.358 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 12.458 2.733 18.215 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 0.501 1.830 8.207 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 16.607 9.987 6.879 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 1.091 -0.307 -9.284 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 0.831 2.061 -8.488 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 14.397 10.450 1.643 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 3.416 6.232 -6.279 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 6.743 -2.178 3.973 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 -13.781 -1.661 -4.465 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 -3.981 13.593 22.220 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 1.106 -3.593 2.453 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 -8.470 -1.724 13.642 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 12.090 8.354 0.401 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 1.605 7.681 1.928 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 7.204 7.888 -5.756 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 4.693 26.318 3.124 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 1.198 -0.875 -5.467 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 -3.027 17.628 -4.595 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 20.250 6.364 -4.746 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 -0.007 -4.420 -1.214 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 7.655 -8.293 1.583 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 -7.180 4.083 -27.622 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 1.217 -0.655 -6.451 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 7.850 4.616 -0.526 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 -10.133 8.813 -16.945 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 -0.690 1.667 -2.029 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 6.673 6.004 5.195 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 2.935 1.207 -1.595 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 7.263 4.121 3.058 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 0.484 -9.290 31.396 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 4.850 1.226 12.064 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 -5.696 -0.651 -1.677 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 -12.654 10.488 9.927 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 -0.239 2.443 -10.074 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 -6.648 -0.419 -0.192 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 -0.404 3.127 3.981 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 -21.986 4.410 -1.330 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 1.925 7.551 -0.430 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 -8.105 6.042 -4.705 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 13.037 11.335 -6.887 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 1.712 -2.014 7.030 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 11.858 -9.701 -4.679 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 5.948 -13.330 19.251 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 2.522 -2.924 0.898 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 4.775 -0.829 -26.520 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 -9.214 -0.341 10.039 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 -4.901 -0.301 2.422 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 -4.516 -3.026 -2.408 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 18.147 -11.286 -10.757 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 -4.550 -2.180 -1.548 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 -4.984 -3.034 -2.867 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 -3.885 -1.123 -1.204 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 1.810 -1.602 -2.892 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 8.252 -3.675 5.267 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 -13.532 -9.430 18.726 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 -4.419 1.800 -2.269 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 -5.151 1.190 -1.100 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 1.306 -8.511 -10.372 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 -2.808 -1.224 2.270 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 -3.806 -1.348 1.465 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 -4.306 -0.107 1.638 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 -0.971 -3.728 0.692 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 2.517 1.254 0.520 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 -1.404 -8.207 -3.975 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 -1.645 -1.916 2.450 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 31.464 -10.937 1.666 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 -7.482 -2.927 0.168 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 -11.952 4.595 1.737 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 7.930 -3.570 9.558 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 0.886 0.391 7.608 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 -3.919 3.222 -2.330 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 -30.501 -4.796 14.620 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 13.572 -11.683 11.589 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 -3.868 2.960 -3.378 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 3.177 10.117 1.839 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 -19.797 2.250 5.784 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 3.642 1.235 5.655 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 0.238 11.862 8.110 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 2.297 4.418 6.567 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 3.167 3.714 -10.968 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 -13.515 14.622 -21.177 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 11.089 6.058 18.857 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 0.022 5.297 5.228 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 0.315 1.687 20.468 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 -14.450 7.550 -8.142 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 3.111 2.681 -5.331 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 9.217 2.371 -1.989 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 -5.156 0.015 -8.461 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 -2.417 3.185 -6.422 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 14.270 19.300 -16.618 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 7.558 7.230 7.789 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 1.202 -4.447 -5.770 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 2.587 0.227 7.493 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 15.298 -2.705 0.977 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 -3.073 3.231 -1.452 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 -5.770 4.988 -3.148 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 1.860 0.515 11.447 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 -0.793 -6.200 0.396 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 45.006 1.776 -19.943 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 -7.213 -9.443 10.656 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 4.298 -1.051 -0.344 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 5.822 -8.226 7.650 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 7.512 -5.098 -0.058 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 1.007 3.477 -1.510 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 4.508 -8.401 13.782 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 0.788 15.693 -8.527 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 -0.913 -8.816 -4.413 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 -7.310 0.275 9.051 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 -14.869 -23.111 0.266 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 1.216 -0.638 3.843 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 6.104 5.175 -7.730 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 1.636 -2.177 -4.041 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 7.869 1.115 -1.237 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 -4.106 7.629 -6.578 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 1.405 5.753 -13.141 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 -3.482 6.953 2.891 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 -6.623 12.173 -4.945 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 -2.495 0.999 11.065 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 -3.057 2.734 -1.287 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 9.496 9.577 -6.740 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 -9.154 1.243 2.442 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 -1.705 5.351 4.240 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 -11.834 -8.330 -1.624 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 15.948 19.122 -8.154 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 4.792 -6.159 12.442 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 0.300 -20.633 14.428 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 11.740 6.860 -5.064 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 4.188 1.755 -0.075 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 6.357 0.918 7.928 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 -0.029 0.747 -1.379 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 -3.327 -0.826 0.830 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 -5.485 -18.634 -10.942 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 4.067 6.298 13.556 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 -0.367 0.785 -7.419 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 -28.444 -8.749 12.458 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 31.884 -19.307 -12.118 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 -8.713 0.867 5.357 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 -8.291 -15.403 -1.370 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 5.133 9.213 -1.742 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 3.211 -0.314 -2.081 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 -3.298 -7.293 -4.766 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 -11.830 -16.882 -6.430 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 -0.633 7.566 -3.632 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 11.221 -0.165 10.537 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 4.097 -4.089 -4.536 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 0.681 0.831 2.282 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 -0.487 -24.215 -3.398 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 -14.047 8.727 -1.483 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 0.797 2.063 1.237 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 -5.955 23.220 -3.969 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 -6.899 3.267 -0.274 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 1.520 -6.864 4.076 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 -2.191 -5.424 -0.957 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 5.580 -4.869 8.149 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 7.476 -1.201 5.683 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 14.566 -6.374 11.957 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 9.687 2.676 -9.016 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 5.049 -7.434 5.697 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 2.814 -7.272 8.508 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 4.197 -12.722 -16.866 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 -2.437 -3.767 1.654 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 -3.723 -4.062 -0.145 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 0.622 -1.700 11.026 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 -1.810 0.190 -0.362 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 8.456 -0.629 12.206 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 -25.325 -1.155 -7.809 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 -4.334 -2.525 4.087 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 -13.348 5.457 9.347 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 2.671 -8.359 4.936 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 1.118 3.336 -0.643 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 13.042 10.561 -13.266 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 10.091 9.894 -19.309 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 1.020 -0.830 -0.080 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 14.847 -28.325 -15.506 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 -2.534 5.636 4.095 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 8.346 -0.614 -4.551 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 10.251 3.618 6.858 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 -0.125 -9.742 -0.647 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 2.497 -3.454 1.781 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 11.670 2.603 4.224 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 1.122 -4.089 1.466 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 -6.546 -2.789 3.310 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 -5.255 7.567 -0.887 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 -3.738 2.369 3.729 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 -1.050 -3.362 -2.372 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 -15.673 11.580 -0.695 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 4.443 -11.585 -7.108 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 -1.688 -5.648 -2.827 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 1.029 1.611 12.710 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 -0.397 -21.551 1.541 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 -0.100 1.727 -5.981 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 -6.595 -3.766 -3.210 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 4.972 5.903 -8.782 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 4.717 1.685 -1.510 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 11.843 4.218 -26.480 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 6.110 3.140 18.659 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 -1.361 -2.061 -0.673 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 -7.281 -14.811 -5.120 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 -24.214 -23.794 -8.952 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 -1.508 -1.773 5.248 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 -11.979 8.543 -0.897 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 -5.245 10.946 2.846 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 -3.153 4.574 -3.988 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 -14.403 -1.107 6.771 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 -22.758 -28.042 -4.792 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 -0.973 -1.213 -0.493 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 -23.283 12.760 6.625 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 3.161 1.358 0.443 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 -0.814 5.705 -3.844 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 0.643 3.065 -7.317 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 9.861 -3.366 3.904 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 -1.270 1.896 -6.275 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 -6.585 -12.157 -11.554 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 3.452 13.054 -1.923 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 -2.185 -7.710 0.916 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 8.890 -4.915 -4.276 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 -23.746 -14.986 10.699 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 -2.011 4.227 0.402 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 -3.149 5.894 12.842 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 -2.958 -1.645 10.292 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 -2.754 9.818 3.720 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 -13.089 -4.349 3.836 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 -3.802 13.854 1.163 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 6.218 -1.475 2.002 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 26.781 -18.521 15.914 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 9.161 -4.485 3.925 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 3.964 2.448 1.530 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 7.586 -0.287 -4.879 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 -0.913 -3.216 1.540 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 -4.545 0.144 2.426 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 -12.425 -13.105 -22.828 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 -5.893 -6.772 -28.007 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 -2.425 1.436 -3.409 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 -7.391 -16.787 -15.670 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 -3.471 2.892 -1.890 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 5.545 -1.523 1.364 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 -1.473 21.230 10.548 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 -5.291 3.200 -12.147 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 1.360 -2.099 -0.834 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 -4.600 11.885 3.636 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 -21.989 12.592 -0.965 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -0.375 1.632 1.280 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 5.810 20.215 -15.953 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 -9.468 4.264 -17.646 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 6.142 5.227 -2.280 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 5.086 5.403 -1.068 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 21.104 2.596 -11.846 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 -3.236 3.055 -4.751 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 1.461 2.933 -12.839 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 -13.509 -15.383 2.112 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 5.283 -1.061 -0.498 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 20.175 -3.288 -9.356 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 2.699 14.904 0.091 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 4.622 -5.880 1.722 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 1.644 6.554 -0.814 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 0.321 7.781 -1.103 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 -2.756 -2.800 -1.709 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 9.189 -2.470 -20.468 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 8.647 4.506 7.989 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 2.733 1.777 0.183 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 9.312 -4.093 -14.481 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 1.246 -1.472 9.330 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 -4.706 -1.308 -2.314 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 -29.738 -0.334 -9.483 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 -28.079 -2.088 -8.444 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 7.138 1.005 0.471 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 16.120 4.992 3.849 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 23.073 6.979 -8.351 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 -1.254 -0.994 -1.195 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 -37.944 -21.338 11.464 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 8.529 2.859 -15.181 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 4.389 0.588 5.819 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 20.099 14.116 3.439 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 -24.213 -12.186 12.154 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 4.045 0.803 -0.250 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 1.953 5.654 4.221 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 -4.721 -2.909 -3.977 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 6.759 3.290 1.609 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 0.099 7.023 -1.935 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 -8.954 7.684 20.271 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 2.248 -0.862 -3.949 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 7.683 18.081 -10.320 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 -8.845 -10.560 -5.318 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 0.997 -2.507 1.187 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 -6.368 6.172 1.343 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 14.012 10.858 -16.635 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 -0.628 1.938 2.136 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 -31.710 -13.215 1.065 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 -16.406 -9.957 -19.747 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 -2.126 5.779 -2.014 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 -4.883 -1.120 -6.565 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 0.186 17.765 4.087 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 2.063 2.100 -3.200 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 1.762 -10.727 12.263 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 -6.253 10.978 16.080 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 2.231 -2.168 -5.916 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 13.960 -19.498 8.657 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 5.277 -6.672 -2.091 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 3.299 4.575 3.179 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 -10.296 10.254 -22.992 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 -9.362 16.817 12.751 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 2.529 4.087 -0.753 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 2.753 7.568 2.727 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 3.015 -1.219 -16.679 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 -6.092 -1.040 5.473 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 -9.578 -6.361 8.203 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 4.275 3.563 12.847 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 -2.284 -1.353 -0.477 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 2.609 -7.641 5.997 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 -4.004 3.473 -5.087 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 -4.888 -0.092 -2.508 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 -3.749 8.938 2.120 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 -17.717 0.378 -9.619 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 2.867 3.430 -3.026 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 4.001 -7.859 -5.579 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 7.885 13.003 -7.528 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 0.392 0.512 -7.201 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 -29.403 -8.872 -9.235 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 18.409 0.310 -6.868 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 0.252 0.898 -1.864 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 0.221 -8.359 -9.509 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 9.409 -5.391 -17.451 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 -1.155 1.135 3.659 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 12.259 6.426 -2.259 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 -8.249 9.358 -5.021 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 1.549 -2.665 6.472 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 4.629 3.186 9.216 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 10.925 18.232 12.076 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 -1.802 -4.543 -0.723 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 12.187 15.824 6.109 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 13.783 1.797 -6.667 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 -1.318 -4.731 0.438 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 9.642 -13.833 -8.793 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 -9.923 0.536 -0.451 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 2.898 -2.213 2.441 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 3.662 -5.943 -5.265 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 -16.455 -9.589 11.881 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 -2.851 1.182 -2.760 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 3.654 24.805 -25.173 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 -9.658 -16.658 12.225 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 -6.303 0.330 3.265 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 0.459 4.111 -7.559 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 2.844 14.440 15.707 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 -4.397 3.554 -2.493 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 23.445 -16.623 -1.935 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 -5.287 9.747 -0.514 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 -8.989 0.362 2.300 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 1.697 -10.861 15.627 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 -8.733 -3.508 -8.154 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 -0.947 1.558 -6.826 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 11.540 -4.466 -14.402 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 6.528 -2.511 -11.403 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 1.521 -0.024 1.948 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 8.789 -6.856 -13.055 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 3.168 -11.572 17.618 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 1.375 -7.692 5.444 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 -8.712 -20.499 0.907 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 1.428 -3.436 1.078 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 -5.373 -2.889 -4.844 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 -6.361 15.307 -0.516 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 -19.336 10.434 2.405 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 3.225 -3.149 3.603 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 11.466 -3.109 0.582 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 -2.954 1.419 -3.524 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 -3.636 4.049 2.129 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 -1.527 7.627 1.938 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 -3.712 -10.892 -19.355 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 -2.616 6.866 0.479 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 -17.583 20.920 -14.562 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 -41.016 10.301 -27.895 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 -0.476 5.098 -1.605 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 2.271 17.037 8.758 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 26.538 -1.289 -9.554 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 10.189 -5.276 4.015 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 1.689 -8.917 1.835 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 11.855 -11.391 4.286 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 2.377 -0.533 9.144 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 2.291 5.039 2.172 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 -7.253 18.412 10.645 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 9.667 0.477 -2.812 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 16.324 -5.252 11.859 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 5.959 4.979 -12.973 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 3.621 -10.427 -2.845 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 4.472 -12.285 11.463 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 -1.275 2.279 -8.211 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 -4.790 -0.507 5.534 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 -3.530 -1.518 26.046 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 -3.905 -9.490 -13.579 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 -7.745 -8.203 1.982 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 3.979 28.149 8.844 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 -6.736 4.963 28.597 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 5.823 -0.873 -4.664 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 38.435 7.647 -3.344 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 -20.419 -5.883 -15.086 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 -2.281 2.538 -0.636 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 -8.301 -1.905 -10.797 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 -12.519 4.052 15.113 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 -6.714 -7.821 0.527 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 -8.884 4.441 21.379 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 -11.239 -3.755 -1.757 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 10.118 -0.219 -3.299 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 -3.830 -2.248 5.595 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 9.199 -2.142 0.816 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 -4.143 -1.783 -5.371 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 -6.436 4.984 8.183 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 -4.676 4.161 13.918 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 -4.411 -5.805 -3.063 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 -1.113 -11.368 -0.640 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 6.158 3.236 -0.055 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 -0.238 1.214 -2.054 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 -2.157 3.845 1.845 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 3.344 -1.463 0.560 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 3.940 1.007 -2.793 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 16.654 -21.140 -1.354 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 5.688 -23.217 -15.747 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 -0.001 -3.510 -2.774 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 -9.855 -2.504 2.328 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 -1.389 -0.401 -6.943 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 1.315 3.053 0.182 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 -5.996 -4.598 -2.162 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 -18.106 -9.263 22.698 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 0.511 -4.167 5.347 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 12.748 -0.228 8.113 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 -6.201 -4.129 0.528 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 -5.255 -4.784 6.587 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 -18.808 11.121 7.823 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 -16.865 -6.264 2.454 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 -0.939 -5.442 -1.141 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 0.476 1.978 0.181 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 5.457 5.955 3.902 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 1.096 -1.127 0.327 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 -14.512 12.556 16.888 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 -7.482 -24.213 2.503 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 3.679 -2.795 5.452 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 16.262 14.862 -17.065 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 -3.441 -10.074 7.110 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 -6.511 -4.518 0.607 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 -13.523 -0.051 -4.178 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 -4.393 -1.478 -0.207 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 -3.304 3.631 -2.360 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 -19.501 -7.247 3.456 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 10.998 -8.115 14.466 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 -0.137 6.854 1.731 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 7.881 -3.623 0.623 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 10.478 -2.360 2.056 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 -1.746 1.434 0.023 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 -8.889 3.015 14.181 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 3.198 8.565 3.356 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 4.787 1.878 0.649 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 -1.930 11.233 4.390 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 8.736 0.530 0.702 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 3.722 -5.653 -3.929 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 5.789 -1.118 13.342 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 6.490 -0.582 14.926 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 3.391 2.922 -2.910 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 -11.752 16.555 -15.719 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 -4.374 2.537 -10.871 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 -0.124 4.114 -3.631 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 18.479 -13.731 2.830 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 7.598 34.787 11.335 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 -0.850 3.217 3.717 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 -8.343 -4.862 -1.779 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 5.957 -2.950 13.991 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 -5.303 -4.287 -3.026 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 -9.820 -2.426 0.972 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 0.563 -7.881 -9.216 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 1.405 -4.155 -1.517 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 0.800 -0.529 -0.034 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 2.034 -2.450 -2.829 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 -3.124 0.977 1.620 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 8.200 -7.241 -1.220 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 1.050 -2.181 0.801 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 -2.338 3.605 -5.565 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 -3.994 7.164 -6.251 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 0.319 -4.301 0.641 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 -4.828 1.444 -0.608 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 2.384 -8.313 9.715 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 12.638 -14.513 -8.664 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 3.355 -1.282 1.492 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 1.988 6.408 0.857 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 -4.922 4.698 -7.350 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 4.298 1.818 1.783 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 -14.745 9.757 -16.791 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 8.648 16.520 12.219 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 -2.341 -3.043 -0.412 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 -2.780 1.944 5.315 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 -2.285 -4.622 -6.024 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 -3.286 -8.473 1.329 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 -12.518 -7.122 -4.051 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 4.442 -11.014 -3.639 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 -2.335 2.823 6.464 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 3.002 7.909 2.313 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 2.462 16.609 10.790 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 0.383 2.749 1.196 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 16.661 -3.118 -5.922 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 7.246 13.241 6.212 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 1.154 -0.419 -0.886 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 -2.267 18.389 -5.895 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 -4.326 -9.173 6.990 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 0.745 5.026 1.149 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 14.656 3.148 -13.746 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 22.166 17.177 6.395 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 2.804 2.240 2.451 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 6.994 11.132 -12.006 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 14.687 6.100 13.502 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 9.209 3.012 -2.973 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 1.693 2.893 1.195 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 9.536 5.611 18.861 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 2.052 -2.868 5.046 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 -27.717 -17.012 -16.456 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 15.120 -12.584 -0.467 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 -2.031 -5.170 0.126 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 -7.494 -6.502 -5.589 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 -12.837 1.933 -0.716 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 2.107 7.917 1.397 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 14.673 5.912 -6.436 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 -12.858 -41.280 -21.197 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 -2.626 3.650 9.067 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 18.172 -30.097 12.167 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 -2.910 0.903 11.574 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 0.809 -4.420 3.005 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 11.577 7.647 5.890 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 11.478 8.818 5.040 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 -2.875 -4.388 1.920 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 -14.056 10.498 10.123 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 -8.438 -14.177 3.506 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 -4.708 -0.789 8.064 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 1.988 1.107 11.715 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 -4.036 2.909 0.754 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 0.883 -5.208 -1.453 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 3.116 13.934 -45.435 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 -11.345 1.107 -18.681 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 6.025 -0.299 6.937 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 -6.474 15.683 4.485 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 5.810 -8.302 3.786 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 -0.826 1.591 1.040 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 5.167 -4.541 11.476 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 -5.795 9.631 -10.257 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 -5.731 -1.817 -4.072 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 -7.604 4.560 -2.934 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 7.180 13.854 16.746 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 1.939 3.644 -4.691 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 -9.508 5.349 12.099 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 -8.996 20.833 2.507 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 0.115 0.836 -8.919 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 -11.110 5.890 -7.361 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 -17.762 -9.684 7.506 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 6.797 6.438 0.031 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 11.111 -8.031 5.753 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 -9.997 1.027 -12.811 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 -4.151 2.615 3.552 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 13.628 16.406 0.054 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 -25.194 13.354 22.368 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 2.690 0.948 3.611 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 -0.582 5.040 -8.454 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 5.238 7.196 7.678 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 2.234 -2.824 -3.455 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 -3.490 -12.004 2.345 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 -11.436 -20.813 10.946 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 -1.366 2.742 1.387 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 3.418 0.288 0.522 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 1.107 3.039 6.559 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 3.753 0.711 -5.171 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 6.349 -11.114 0.567 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 -3.926 1.275 1.140 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 1.165 1.496 8.877 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 16.327 -4.631 -4.900 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 -13.361 -2.908 5.378 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 0.743 -2.813 4.449 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 9.383 -17.632 21.202 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 -8.971 -10.303 7.329 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 -5.079 4.423 -0.578 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 -11.030 -10.465 7.412 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 0.097 -22.462 -16.698 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 -0.838 4.572 -6.125 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 -16.052 7.287 -17.793 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 12.688 -6.013 -13.310 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 2.989 -1.399 8.566 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 -0.362 11.532 -5.535 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 12.270 -19.763 -1.516 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 -5.961 -6.166 -2.466 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 -7.506 -14.516 5.285 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 -5.361 -6.567 -3.792 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 1.451 8.569 -5.764 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 19.087 14.486 7.548 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 -21.412 17.355 -7.929 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 4.205 -0.318 0.990 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 -21.041 -7.594 3.676 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 6.960 -21.566 -13.774 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 -3.886 4.030 -2.234 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 -4.381 3.669 -3.023 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 0.290 3.912 -4.397 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 2.373 2.567 1.639 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 -5.037 -2.139 0.788 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 -8.905 16.370 -1.879 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 -2.227 5.055 -2.931 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 -4.137 -2.315 -17.621 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 2.396 18.532 1.372 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 -2.721 -1.043 -1.601 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 -1.923 11.117 6.882 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 -6.829 1.989 1.905 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 2.707 -3.457 -3.654 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 3.309 15.224 -3.007 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 -14.647 -8.518 -0.398 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 5.724 0.599 -4.926 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 -0.328 5.240 2.795 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 -1.069 -9.640 6.258 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 3.108 1.616 6.225 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 -0.734 0.521 -4.292 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 -6.257 -6.513 4.898 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 -5.223 -0.398 -1.396 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 -14.546 2.625 -13.840 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 -25.284 -19.338 -10.972 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 2.108 10.504 -0.266 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 12.604 11.167 6.481 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -9.570 5.197 0.697 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 -7.335 -3.967 1.802 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 -3.727 -12.923 0.495 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 -14.444 -4.193 8.086 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 -3.053 -4.394 -1.352 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 20.259 39.732 10.338 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 35.303 -26.224 -7.172 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 -1.537 -2.202 4.681 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 -4.869 -5.205 3.113 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 -1.412 -13.877 -2.529 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 -2.745 2.707 -1.329 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 3.304 -2.204 2.335 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 -10.734 4.105 -4.226 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 -2.187 -2.650 2.473 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 -3.281 -8.080 5.557 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 -7.757 -4.047 -3.024 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 -2.205 -2.525 -5.833 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 2.694 -7.350 28.018 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 0.362 -6.627 3.555 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 3.970 1.354 0.513 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 -4.791 -0.729 6.150 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 -6.940 3.331 -5.619 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 6.427 -6.599 -0.602 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 4.077 -8.568 1.632 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 6.545 -13.174 5.495 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 4.144 9.516 5.755 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 12.727 7.021 21.112 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 -3.026 13.023 -1.858 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 5.638 10.161 -7.901 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 -0.937 7.064 -2.285 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 -2.109 4.558 4.909 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 0.344 -3.405 4.270 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 -14.153 -6.937 -5.451 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 -16.798 -4.300 0.366 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 -1.331 6.183 -3.978 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 -6.738 -2.882 -4.419 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 7.406 -22.229 -0.131 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 -3.572 5.473 -4.405 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 -15.034 12.606 -16.195 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 -14.747 -18.347 1.090 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 5.015 0.919 5.223 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 -6.061 -0.949 -2.540 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 4.470 22.437 30.590 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 0.119 6.637 3.415 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 7.399 -7.252 -12.390 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 -10.223 -20.212 2.965 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 1.829 5.523 -1.492 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 -2.203 -20.648 -3.862 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 -6.594 17.114 10.208 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 -2.164 -4.612 -3.285 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 5.078 13.647 -4.601 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 6.440 11.798 3.593 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 4.606 -3.899 -3.041 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 -1.721 28.803 6.700 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 -12.286 -6.260 0.611 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 -0.813 -0.646 -9.618 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 -5.067 17.713 -6.854 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 -22.309 -8.339 4.256 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 5.251 1.822 -3.991 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 6.987 -7.049 -6.344 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 10.932 3.450 3.077 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 -3.115 2.236 -1.900 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 -1.032 2.132 1.474 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 13.704 10.512 15.420 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 3.778 -4.433 3.553 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 20.834 -6.814 -0.595 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 1.151 0.358 22.414 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 -5.137 1.118 -5.046 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 3.026 12.054 -19.850 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 0.427 3.159 -1.857 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 4.517 5.976 4.987 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 9.391 4.339 -5.814 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 5.164 -6.784 3.224 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 -3.611 1.325 -6.311 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 8.815 4.709 -25.312 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 -9.975 -34.683 -8.194 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 -7.285 2.434 -1.035 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 -2.618 -10.418 0.288 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 -20.645 -6.312 1.473 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 -2.994 0.646 -8.334 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 -7.172 -10.226 -0.623 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 6.593 9.122 -0.580 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 1.298 0.941 -1.107 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 16.523 10.989 -10.699 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 4.125 4.833 -7.818 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 -5.206 4.571 2.177 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 -3.511 2.192 -11.425 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 -7.645 10.669 15.843 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 -0.114 -1.233 2.526 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 7.805 8.810 -13.205 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 22.210 -7.768 -6.761 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 -1.244 -2.485 -4.390 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 15.446 22.484 -10.703 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 -30.828 3.978 -12.697 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 -0.689 2.513 1.667 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 2.351 7.194 -10.329 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 -12.671 -1.208 2.273 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 4.432 2.627 1.331 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 1.452 -10.227 -5.904 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 1.914 -18.356 -16.083 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 2.012 -5.710 13.577 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 -4.671 -5.658 -4.152 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 -3.934 -5.279 -5.981 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 -7.449 2.667 -3.413 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 6.081 -11.801 -9.611 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 7.874 -12.239 -11.408 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 1.516 -6.388 -1.280 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 -23.014 14.934 -20.681 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 4.386 -15.069 -8.503 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 2.757 7.904 -4.062 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 3.077 18.516 15.516 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 1.545 -9.111 -4.263 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 -5.537 5.278 1.414 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 -6.589 30.582 10.044 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 1.939 -16.599 5.622 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 2.251 -1.481 0.781 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 -12.012 1.371 5.487 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 10.261 -29.972 8.473 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 2.617 7.989 -4.732 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 -6.006 -8.278 0.212 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 -2.703 19.417 6.962 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 0.836 3.079 1.439 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 -3.017 2.209 24.167 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 -39.025 0.695 0.858 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 -0.672 0.500 3.598 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 -9.989 7.249 0.842 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 10.605 5.316 2.670 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 0.808 2.388 0.734 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 2.531 -0.784 -7.616 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 -9.752 19.436 7.952 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 0.718 -2.185 2.625 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 -9.900 -5.827 10.246 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 14.600 3.765 -8.840 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 -1.917 -0.324 -7.199 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 -10.991 6.804 7.157 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 4.260 19.789 -36.170 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 5.153 -1.398 -3.461 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 8.935 4.563 2.604 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 6.444 0.541 -1.922 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 -2.150 -2.530 -5.745 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 -4.455 12.569 -13.071 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 -4.726 -6.335 -2.013 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 -1.676 -2.063 -1.554 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 -2.070 2.152 -20.156 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 9.144 -4.507 -5.600 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 -1.660 -2.232 0.261 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 -0.256 -6.721 1.536 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 -2.724 -8.667 5.955 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 -0.542 4.449 2.361 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 4.535 3.287 -11.203 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 3.394 11.050 4.601 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 3.504 0.056 7.498 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 5.557 -7.295 13.382 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 -3.341 4.077 10.197 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 -2.232 1.357 -0.957 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 -8.415 2.628 -0.183 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 0.258 -2.760 -0.387 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 -4.070 0.495 4.034 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 -7.417 -3.963 8.504 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 1.131 9.103 -2.911 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 -2.018 2.761 -1.848 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 26.760 16.918 -4.634 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 -3.497 -9.486 5.951 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 3.071 -6.873 3.678 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 -9.073 -2.329 -6.541 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 -17.246 0.442 5.187 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 2.504 2.015 -5.860 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 -17.565 29.095 -16.393 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 3.366 15.151 5.111 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 -4.101 -2.870 -8.000 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 -6.777 8.431 -10.694 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 -3.786 -2.113 -7.509 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 0.910 -0.318 -5.794 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 17.825 -5.669 -12.475 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 1.611 -7.602 15.016 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 4.825 4.085 -1.169 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 -19.939 -4.485 -11.025 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 -6.919 -7.737 -7.432 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 -0.540 1.294 1.644 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 -37.518 6.447 1.185 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 2.532 9.477 -6.140 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 -5.318 -4.625 -5.796 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 1.921 16.660 7.588 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 4.861 -21.547 12.306 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 -1.425 -0.198 2.777 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 -4.706 -3.096 4.882 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 -8.443 -1.176 -0.384 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 -3.319 -0.761 3.401 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 -36.038 -19.447 14.691 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 -1.396 2.176 -1.857 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 10.122 -0.548 0.315 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 14.997 -8.802 -7.601 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 -14.004 -1.682 3.658 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 -1.106 6.621 1.076 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 -6.999 3.430 -17.076 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 -10.012 21.837 7.168 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 -4.509 0.035 -1.391 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 -6.284 -18.696 0.938 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 -21.563 -8.128 17.298 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 2.572 -5.267 -3.441 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 14.598 5.459 11.538 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 -3.551 -13.360 -6.430 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 6.671 -6.425 0.923 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 4.793 -5.024 -9.156 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 -1.660 -5.733 -2.349 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 0.435 -3.819 0.749 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 4.116 5.239 -1.723 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 31.026 8.449 0.996 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 -4.162 2.602 3.415 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 -5.642 1.923 2.990 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 -5.200 3.776 1.944 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 0.489 -5.194 0.552 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 -4.282 -8.673 -7.270 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 9.513 2.107 -4.336 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 -5.952 4.880 -2.903 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 -9.929 3.045 -9.005 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 8.630 10.721 15.208 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 0.631 -5.045 -1.474 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 4.783 0.290 -3.119 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 23.845 24.558 -6.664 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 -8.822 -2.166 -5.026 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 2.332 -3.616 1.807 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 -4.794 3.516 -14.782 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 3.311 2.371 3.783 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 0.600 -14.665 2.489 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 -0.140 -13.285 5.554 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 0.690 -0.091 -0.471 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 -5.726 -12.992 -2.589 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 14.058 27.486 6.152 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 3.975 -0.783 1.403 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 -1.000 -8.431 2.458 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 -2.901 -0.111 -3.839 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 -1.157 1.391 5.532 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 13.673 -0.430 -5.359 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 -7.114 -15.567 -23.724 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 6.485 -5.170 -3.821 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 1.275 -5.977 -19.349 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 14.723 6.014 9.997 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 2.733 -5.539 -3.000 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 -0.470 -0.352 -1.136 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 -1.711 -2.167 0.798 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 -4.280 0.793 4.033 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 1.649 18.035 2.183 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 7.530 14.760 9.988 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 9.661 -0.095 1.842 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 -6.042 3.059 -5.054 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 36.368 -3.271 -0.205 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 0.198 -3.284 5.532 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 -17.839 -16.087 -0.051 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 -17.075 16.049 11.752 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 -1.388 1.918 -2.196 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 3.712 16.989 -0.636 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 -21.843 5.125 -12.982 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 1.845 4.745 -5.229 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 -2.711 2.839 -1.637 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 7.894 12.101 -3.405 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 -6.953 -5.501 3.025 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 18.872 5.562 15.875 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 -13.551 -8.167 0.263 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 -1.098 -0.265 -6.092 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 20.183 -18.110 4.172 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 -16.052 11.549 -14.764 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 -2.235 -1.169 -1.249 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 5.200 -2.079 -22.895 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 22.625 -16.796 15.648 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 -2.934 -1.414 1.449 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 10.008 14.538 15.880 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 -24.110 -18.927 -15.927 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 1.644 -3.369 2.024 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 -10.987 -24.670 5.880 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 14.030 15.839 -26.925 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 -1.186 -5.169 -5.396 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 -2.774 -29.405 -15.414 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 16.203 1.731 11.572 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 -6.505 -3.593 8.076 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 13.471 2.558 -6.146 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 -6.995 5.684 -4.241 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 5.592 1.831 3.631 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 1.177 4.851 -0.760 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 -2.449 0.410 8.692 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 -2.242 0.174 -10.333 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 -6.223 -0.387 -1.900 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 -0.890 1.410 -3.639 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 3.861 -1.739 2.388 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 -1.253 -11.747 -1.579 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 10.641 11.939 5.649 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 2.300 -1.410 4.320 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 -17.433 -0.042 -9.519 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 21.084 -3.010 -3.769 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 2.446 1.679 -1.241 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 16.312 12.465 -7.260 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 8.695 -10.739 10.839 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 3.467 -4.033 -0.123 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 -17.213 -9.964 -22.887 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 13.629 23.156 5.747 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 -1.821 -3.425 6.001 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 -3.546 3.478 2.746 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 -10.040 -30.960 8.909 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 -1.801 2.959 -0.253 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 -0.028 -0.409 4.299 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 -6.654 3.569 -10.120 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 2.786 1.229 5.891 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 13.002 11.584 -22.206 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 -20.288 4.626 -2.091 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 2.222 -0.898 2.167 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 1.835 -8.437 5.056 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 1.402 -7.618 1.789 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 8.924 2.458 3.342 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 -1.599 11.243 4.618 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 5.507 -5.394 2.178 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 -1.678 0.396 -2.170 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 -5.854 -4.101 -0.794 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 9.583 8.420 -4.539 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 5.502 0.396 7.422 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 8.662 2.976 -2.362 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 13.071 4.154 -7.433 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 -5.350 -1.653 -6.013 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 -3.675 5.674 -0.540 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 -2.634 -9.109 -9.947 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 -9.476 0.376 -1.253 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 -5.917 -13.067 -11.178 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 -11.348 9.514 1.823 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 0.222 -5.856 -4.854 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 5.957 -7.139 4.831 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 6.888 10.530 -8.065 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 -0.412 -1.475 -6.210 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 -12.838 -7.864 -0.143 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 8.418 9.654 5.620 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 3.402 -6.556 -1.416 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 10.739 -7.612 14.602 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 9.220 8.278 3.325 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 -5.687 -5.941 0.105 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 -22.654 -9.542 -2.347 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 -12.471 -8.180 0.423 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 -4.825 4.093 -6.477 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 7.964 10.553 -1.839 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 -14.748 11.707 -7.741 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 -4.398 2.826 0.878 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 -4.123 -23.543 7.711 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 -14.097 -21.667 3.017 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 -2.532 -0.410 -1.454 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 21.156 10.209 -3.282 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 -12.930 -0.219 3.266 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 -1.204 0.751 0.981 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 -1.140 -0.110 1.902 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 7.110 -12.807 0.015 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 -3.697 -1.092 -6.335 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 -6.576 -0.979 2.592 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 32.441 4.502 -9.958 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 -0.113 -1.455 5.468 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 -3.414 2.891 -5.803 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 6.694 5.654 6.435 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 -0.004 -3.030 -0.968 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 4.208 -5.339 -7.132 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 -5.718 4.500 -23.364 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 -6.838 -2.816 -3.038 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 -1.938 -9.408 -4.465 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 -13.737 6.017 -2.195 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 -3.662 3.518 7.763 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 4.154 1.055 11.014 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 -2.744 -5.774 10.153 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 -5.665 -6.866 2.970 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 -12.779 14.611 -1.364 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 -1.094 3.928 -10.703 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 -4.872 -2.463 -3.968 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 -17.065 -12.539 -13.550 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 -13.444 3.571 -10.888 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 -1.777 -5.920 0.416 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 -5.776 1.027 -13.828 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 -10.906 -11.992 -2.944 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 3.251 -0.799 2.763 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 0.378 3.870 -6.704 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 3.759 -0.924 -10.307 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 0.888 6.786 -1.188 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 18.926 -6.143 5.601 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 3.598 -0.765 10.156 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 -2.977 4.735 -4.295 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 9.973 9.269 -6.450 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 0.882 12.071 -19.531 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 0.566 -7.769 -3.613 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 -9.068 1.388 9.406 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 -25.681 17.272 8.314 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 2.641 7.241 1.199 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 0.162 5.548 1.728 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 -0.524 10.920 -3.859 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 -0.511 3.314 0.808 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 0.255 3.134 -2.617 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 0.345 3.191 -3.580 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 -2.876 2.693 -1.176 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 11.473 5.715 -16.796 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 0.482 7.370 -6.545 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 2.609 -0.084 0.319 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 0.122 -1.162 5.120 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 6.043 -0.093 -4.647 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 2.407 -0.486 -2.625 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 5.142 -0.019 -3.318 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 3.258 -7.693 -2.461 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 -4.141 -2.445 7.091 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 13.009 21.235 20.137 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 -6.108 -5.394 4.745 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 0.802 -3.937 -4.735 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 12.266 -14.219 17.836 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 -0.604 -19.698 -16.929 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 3.153 2.073 -1.905 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 -14.373 -8.207 -10.598 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 9.053 8.194 -1.720 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 -3.472 -0.442 -0.211 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 6.186 -7.617 -7.868 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 4.355 9.234 -3.223 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 -1.052 6.969 -9.470 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 -15.975 17.275 -13.320 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 19.441 -9.138 -31.939 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 2.520 -5.613 -1.134 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 6.424 15.193 0.807 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 21.961 -8.935 -16.370 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 -2.561 0.065 -0.150 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 14.247 -13.497 13.118 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 -19.627 -10.647 1.929 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 -3.542 -4.572 4.468 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 -3.213 -6.024 12.146 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 -11.860 -7.682 4.725 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 0.501 8.830 -9.995 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 -2.687 -8.151 -3.324 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 -23.472 -16.477 3.176 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 -2.878 -0.713 -1.997 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 -4.963 -11.515 -10.293 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 12.589 10.970 12.674 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 6.284 -1.499 -4.182 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 -2.603 10.364 29.332 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 -11.948 18.639 0.208 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 -3.670 -1.834 -4.003 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 -9.404 -11.288 -1.306 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 4.216 0.238 7.362 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 -3.456 -3.207 2.411 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 5.554 -9.028 -2.019 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 2.856 -6.811 -0.533 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 5.611 3.180 -3.998 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 2.771 5.688 -8.025 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 12.677 -2.826 7.634 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 4.045 -0.127 0.353 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 -10.544 -1.829 -7.682 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 20.891 -4.837 16.050 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 1.317 -2.771 -9.336 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 -17.588 -3.999 -8.293 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 13.730 -0.024 -12.444 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 3.783 -8.804 -0.416 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 3.642 -6.456 9.311 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 4.609 -12.979 -9.933 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 1.880 1.994 -1.680 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 6.571 17.778 2.460 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 15.325 19.721 -23.859 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 4.506 -2.382 3.431 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 9.161 -15.750 10.953 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 7.175 -9.006 5.486 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 0.864 6.751 2.111 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 4.909 2.375 10.782 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 -2.611 23.308 -17.952 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 -7.152 2.722 1.298 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 -0.419 -1.273 0.732 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 22.534 4.306 3.749 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 7.027 -3.307 -3.307 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 -3.105 21.026 19.055 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 6.703 8.726 11.015 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 -4.298 2.360 -1.371 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 -7.507 5.089 -4.920 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 -9.167 0.311 3.927 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 0.928 -4.189 -2.161 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 -9.581 -3.505 -10.802 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 2.169 2.116 -1.182 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 2.970 0.836 3.335 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 -20.216 9.089 -23.057 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 -12.497 -0.943 -7.941 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 -2.868 -1.140 3.219 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 -18.296 0.569 2.195 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 -2.330 -2.407 -2.034 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 4.186 -3.260 6.068 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 2.981 -1.562 3.777 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 1.480 -1.602 -1.380 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 3.324 -1.936 -5.255 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 14.058 4.492 -6.321 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 8.932 -5.191 0.308 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 -3.668 3.656 -1.920 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 3.522 -6.991 7.497 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 -13.404 0.834 4.612 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 2.044 6.597 -4.187 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 2.497 5.840 -6.312 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 0.075 9.480 -5.320 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 -5.118 0.119 3.215 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 -2.711 -1.021 -7.942 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 11.783 -16.905 20.088 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 0.004 1.529 -0.846 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 -15.165 2.223 2.523 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 -2.160 3.098 10.680 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 -1.452 0.727 -8.582 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 10.180 -4.294 -3.602 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 -0.424 6.528 -13.463 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 0.871 -6.148 -5.422 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 3.391 5.083 -1.214 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 -2.744 3.853 -7.079 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 6.066 2.667 2.497 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 12.407 1.850 13.996 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 3.985 3.536 -6.825 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 -6.173 0.385 2.190 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 -1.709 14.486 2.422 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 -8.218 -5.570 -9.714 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 -0.016 -1.451 6.824 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 -1.643 1.034 3.533 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 -9.698 9.536 -15.770 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 4.270 3.058 -1.044 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 9.218 7.378 -10.894 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 -6.949 5.066 3.227 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 6.871 2.374 1.241 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 -24.357 -32.379 12.725 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 6.706 9.737 -11.743 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 9.270 -0.240 -0.140 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 9.487 8.053 0.222 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 10.519 -3.674 -0.000 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 6.665 -6.002 -3.971 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 -1.158 8.248 5.215 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 2.857 -2.518 -0.943 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 -6.327 -1.244 0.947 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 3.598 -10.627 3.659 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 3.518 12.378 17.436 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 -0.136 -2.131 1.076 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 5.878 0.554 9.150 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 3.838 0.150 8.954 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 9.788 3.037 0.335 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 9.531 1.036 -11.310 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 10.708 2.759 9.395 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 1.808 3.830 0.756 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 7.777 -1.164 3.922 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 -0.367 -1.162 -11.644 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 1.114 1.318 4.315 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 -4.239 9.862 6.115 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 -6.524 -6.390 5.714 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 7.047 8.273 1.224 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 -1.790 -8.127 -18.688 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 17.357 4.851 11.083 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 -3.100 -5.223 4.180 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 -1.730 -12.120 1.922 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 -0.326 6.172 6.262 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 3.510 -1.171 2.229 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 5.168 -9.822 3.348 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 5.964 -12.009 3.684 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 0.355 3.628 -1.749 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 10.411 -4.924 -3.942 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 1.908 4.043 -16.527 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 -2.111 -2.329 -7.503 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 -10.808 6.650 32.649 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 12.336 -11.441 1.925 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 0.730 -6.013 1.593 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 4.846 -11.861 -8.941 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 5.446 -14.352 -30.468 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 1.668 4.275 -5.282 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 -2.223 12.856 -4.420 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 -3.261 19.192 -6.164 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 4.316 -3.560 0.032 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 8.783 -15.058 -3.736 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 12.457 3.437 7.213 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 0.180 0.660 -1.312 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 -9.322 2.119 0.962 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 -21.993 7.106 3.630 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 -4.559 -0.742 -0.874 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 0.068 5.056 -8.609 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 1.607 8.320 -15.363 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 2.948 0.905 -0.692 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 19.233 -6.917 -5.869 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 -17.808 2.552 -2.894 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 -1.995 -5.746 -2.583 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 -4.368 11.262 -7.054 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 -12.782 -23.459 -10.012 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 -0.073 6.629 1.185 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 -19.460 22.448 -8.281 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 -28.847 19.055 38.019 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 2.698 0.749 -1.078 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 1.800 -18.135 8.021 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 19.728 -7.141 8.632 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 -2.189 1.643 2.771 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 -16.463 -10.616 -15.486 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 3.457 1.237 5.733 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 5.768 -0.564 -3.342 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 3.012 -4.280 -0.135 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 7.472 22.955 8.695 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 2.429 -0.083 -3.053 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 -2.892 9.126 -9.520 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 -8.199 12.512 -4.851 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 -2.610 2.286 2.004 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 -16.131 -14.835 19.481 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 -5.961 7.976 9.556 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 7.517 4.162 1.370 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 -3.011 -6.268 7.361 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 12.525 -3.170 -1.836 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 3.026 4.943 -0.648 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 -8.816 24.358 -7.953 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 14.478 -36.070 -0.277 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 3.416 4.392 1.761 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 -17.337 5.380 -35.523 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 0.220 24.381 -3.696 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 -0.742 2.380 -2.278 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 -6.881 15.799 -0.853 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 -7.652 0.391 -9.716 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 -0.107 -6.916 5.912 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 2.504 -10.835 10.437 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 -10.157 5.906 -10.720 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 -0.439 3.245 -3.898 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 -5.077 16.282 -1.705 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 -3.600 8.331 -16.813 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 7.611 0.294 -0.177 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 6.385 19.701 6.979 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 4.536 -4.615 2.311 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 -7.890 3.417 -2.158 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 -9.202 3.086 14.125 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 -15.638 13.305 14.992 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 -1.607 -0.128 -3.871 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 4.822 -3.597 19.432 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 15.477 -22.256 -27.765 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 -0.029 -1.513 -2.147 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 1.243 16.245 4.724 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 2.819 9.738 2.585 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 -6.188 -7.920 -3.300 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 -2.039 -11.130 7.241 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 -7.818 -4.451 -21.376 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 -1.063 3.360 2.942 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 -14.246 22.127 -5.352 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 -0.951 3.531 2.340 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 -1.697 -5.760 -2.108 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 0.597 -2.593 5.240 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 -0.144 -12.699 -6.138 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 6.471 -0.683 -2.396 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 -8.839 -4.378 16.376 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 -7.946 9.895 -8.140 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 0.931 -5.005 -0.638 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 16.863 -7.674 -8.082 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 -2.115 14.929 -7.838 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 -0.178 3.965 4.834 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 -3.745 -6.774 6.798 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 -4.501 8.622 6.231 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 6.871 -4.946 4.990 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 -3.750 15.346 -8.569 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 2.167 10.167 15.256 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 4.273 -3.580 -0.746 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 -7.762 4.556 13.313 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 6.517 -4.910 -5.219 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 -3.575 -2.904 -5.733 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 12.367 -9.870 -3.289 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 -9.195 -16.171 6.581 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 1.761 -3.027 6.088 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 -12.589 2.031 7.071 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 6.066 -1.530 -0.806 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 2.265 -5.873 -2.215 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 -13.603 -0.824 26.471 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 2.971 14.922 0.497 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 -6.757 -4.172 2.905 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 5.718 -4.600 5.427 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 1.871 13.628 9.254 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 4.008 6.237 3.757 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 3.366 9.205 1.363 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 22.449 5.536 18.032 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 2.874 1.175 2.672 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 10.446 16.423 -0.692 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 -0.650 2.865 30.882 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 3.041 1.062 0.066 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 19.418 -18.879 -1.342 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 17.472 -7.133 12.837 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 6.670 1.687 1.201 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 10.898 -8.501 6.301 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 17.155 5.160 -30.467 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 -0.416 -2.128 -8.576 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 2.898 -0.819 -11.883 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 13.243 3.381 -32.766 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 1.651 -0.751 -1.503 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 16.463 -7.812 -7.285 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 -9.539 5.675 -10.106 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 8.731 -1.234 4.066 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 7.462 -0.724 -1.672 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 18.565 -12.680 -5.825 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 1.838 4.370 1.606 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 17.512 3.794 5.198 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 -14.488 -6.045 -5.168 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 2.645 2.472 0.736 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 12.756 12.558 3.735 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 0.118 -1.026 -10.466 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 2.138 2.617 -0.797 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 10.039 8.767 -13.390 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 21.541 13.181 -6.247 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 1.191 1.214 -2.656 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 -1.870 -21.081 -21.362 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 -3.356 7.618 5.034 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 -5.023 -5.109 -1.370 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 -7.017 -0.802 10.142 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 -2.292 -15.318 -6.114 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 -1.059 6.363 -5.375 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 -2.310 -17.436 20.974 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 -24.279 -20.492 13.565 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 3.789 3.539 0.361 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 -3.933 3.967 -10.159 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 -15.381 -2.572 12.564 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 -5.796 -1.557 -2.551 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 -20.307 -12.332 0.375 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 -5.528 9.027 -17.399 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 -4.648 1.228 0.980 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 -2.818 5.627 9.238 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 -0.307 8.526 21.438 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 -0.408 1.981 0.116 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 -12.378 8.003 9.438 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 10.312 -4.459 -5.873 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 1.230 -1.518 2.026 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 10.301 -1.533 -17.184 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 12.972 1.342 10.771 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 -1.635 1.830 4.926 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 24.092 -21.071 6.639 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 -26.036 -22.201 8.849 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 1.542 7.881 5.329 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 -23.101 -14.313 17.732 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 -4.695 5.556 9.945 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 2.122 -7.295 4.668 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 -3.802 19.212 0.162 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 26.981 -5.170 19.619 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 -5.758 3.807 -1.458 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 4.243 7.119 7.584 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 10.249 -13.831 -3.677 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 4.756 -4.467 3.125 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 8.041 5.959 17.788 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 2.375 -13.074 -7.929 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 5.064 -2.413 -7.588 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 2.946 -8.837 -29.568 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 -0.737 -20.075 2.294 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 2.653 -4.365 0.993 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 -29.145 -26.236 -5.672 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 23.860 -1.148 6.507 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 11.095 -5.860 2.442 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 16.038 -8.059 -10.537 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 -1.143 -6.017 -8.994 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 -0.208 1.936 -8.746 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 -1.648 16.916 -13.656 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 -14.316 -1.971 -8.592 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 1.452 3.602 1.070 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 -0.870 6.824 3.202 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 17.554 -7.199 7.189 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 1.301 2.316 4.150 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 -10.724 18.153 2.804 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 6.164 0.873 -12.041 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 3.029 -2.024 -5.269 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 -2.135 -7.639 1.814 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 -3.431 -8.163 16.898 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 7.619 3.624 4.355 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 -2.498 -15.845 3.377 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 5.790 0.083 23.066 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 3.798 -1.366 -0.303 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 9.290 -1.640 -23.301 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 0.655 -13.008 -28.734 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 4.531 -0.766 2.085 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 3.970 4.680 6.038 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 -2.787 -3.945 -2.044 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 1.847 0.269 -0.816 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 16.609 -3.894 -10.418 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 -2.436 3.098 -4.763 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 5.791 -7.673 3.088 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 2.260 -7.997 6.229 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 5.018 -8.895 0.531 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 -1.553 0.959 -2.223 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 -1.191 15.399 -8.251 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 -5.604 -7.667 7.904 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 0.920 -5.349 1.838 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 16.399 1.668 -3.671 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 -1.279 -8.251 -12.562 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 0.071 -1.156 -0.303 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 32.329 5.173 -21.531 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 7.831 -20.409 -22.198 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 -0.947 0.588 1.344 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 -2.751 -2.187 0.600 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 -15.885 4.037 21.237 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 0.190 -1.606 2.127 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 -13.136 3.845 -14.132 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 20.119 -0.832 -13.406 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 0.699 0.034 -1.435 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 3.717 3.146 -3.427 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 2.288 3.471 -3.336 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 0.746 4.698 -0.681 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 -6.201 2.423 8.823 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 10.216 -9.342 -11.804 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 -8.090 -9.256 -0.103 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 -15.611 -0.100 27.706 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 -34.008 -7.613 -15.618 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 3.880 4.972 -3.998 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 -12.697 11.969 -19.220 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 14.819 -3.187 9.279 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 -2.359 -0.964 5.490 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 -11.497 -0.341 -4.085 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 -9.983 -4.987 0.450 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 4.431 -0.888 -1.927 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 2.221 -12.361 -9.147 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 10.620 -3.906 6.415 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 0.042 1.226 8.131 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 -1.827 3.665 -9.210 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 -16.063 -1.806 14.643 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 1.347 7.450 3.001 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 -2.059 8.714 11.775 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 -8.257 9.870 0.130 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 3.126 -2.468 -5.857 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 8.573 -13.575 -6.951 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 -8.324 1.961 1.386 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 0.427 -4.597 2.812 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 8.320 21.272 3.529 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 -2.504 -16.676 14.944 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 0.288 4.590 -3.629 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 -8.582 10.327 -3.678 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 -10.550 15.611 1.657 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 -3.745 5.429 -0.423 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 3.088 10.761 27.628 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 -42.156 -4.198 -2.100 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 -3.359 -2.861 2.182 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 -4.230 -16.547 -17.036 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 -4.222 14.375 22.825 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 0.998 -1.217 -4.552 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 15.903 24.384 -3.495 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 -3.824 -26.553 12.781 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 -2.872 -4.955 -9.032 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 -17.072 -1.535 4.703 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 1.233 -14.718 6.871 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 1.966 -0.884 2.583 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 7.995 2.636 4.431 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 2.719 4.531 -9.108 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 -4.817 2.057 3.604 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 -6.109 9.860 -5.281 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 7.102 -6.176 1.388 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 2.698 0.780 1.088 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 3.219 -4.443 -2.971 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 1.653 -3.125 5.903 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 4.143 -1.599 0.283 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 -2.306 1.818 -9.140 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 -2.906 -6.463 6.109 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 -2.535 -1.573 3.286 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 5.388 -6.982 -0.200 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 21.621 -10.834 -13.846 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 -6.879 0.169 5.692 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 -2.055 0.454 16.301 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 1.092 2.535 2.179 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 0.375 -2.440 2.923 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 -9.952 -0.724 -2.692 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 -0.689 -13.632 -10.180 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 4.355 5.363 -6.382 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 -1.051 -4.972 3.261 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 -7.333 -0.202 -7.182 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 -2.867 -2.779 3.121 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 7.163 9.824 21.656 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 -8.797 -11.434 -8.228 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 1.233 4.877 3.272 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 -15.193 14.379 8.921 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 3.989 0.442 8.272 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 3.707 7.729 1.473 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 0.572 0.239 4.909 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 -2.617 -3.427 -14.697 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 0.587 -4.808 -1.436 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 -10.568 3.196 9.772 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 0.920 -5.553 -2.946 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 -4.132 -2.642 -0.103 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 4.448 -12.776 -1.105 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 -18.450 -0.764 2.981 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 -3.775 -0.874 -2.585 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 17.968 -10.694 18.175 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 -2.912 -32.195 -11.697 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 -8.024 -1.850 1.885 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 -1.962 -0.113 11.677 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 -5.507 1.930 9.744 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 -4.536 -0.708 3.540 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 -3.737 -3.985 -17.210 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 -6.530 -3.274 -2.096 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 -0.052 -2.139 -3.437 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 0.849 -7.691 -6.232 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 -1.553 0.129 -3.324 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 6.408 -0.166 2.075 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 12.345 -7.539 10.885 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 -33.384 6.867 7.297 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 -1.225 -4.708 1.361 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 -7.499 7.513 31.394 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 -1.841 1.016 2.495 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 4.985 3.909 1.560 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 -3.364 15.125 -5.102 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 6.204 -6.328 -6.896 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 -0.536 4.439 4.915 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 3.829 -1.617 3.338 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 -4.017 20.469 6.212 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 -1.173 3.443 -0.878 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 2.596 39.336 -13.063 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 -7.663 11.376 6.806 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 1.212 -2.711 -1.367 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 1.226 3.497 3.876 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 6.962 25.738 12.943 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 -3.065 11.265 0.125 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 -5.240 7.745 -6.123 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 -7.961 3.550 -8.379 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 0.530 0.950 -0.675 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 -8.492 10.555 -6.124 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 4.247 -15.626 -8.937 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 5.063 -2.071 -4.656 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 6.998 -19.811 -17.047 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -9.858 -5.889 -21.961 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 -3.154 3.212 3.990 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 10.957 2.614 5.825 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 -1.760 3.890 5.083 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 -3.377 -1.464 0.460 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 -11.477 4.740 11.697 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 -13.321 -15.335 -8.262 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 -3.968 2.161 -4.154 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 11.123 1.003 -5.290 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 -6.685 -11.345 8.232 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 0.444 -2.959 2.727 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 -19.976 9.159 3.188 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 -7.069 1.230 2.829 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 1.122 -4.197 -4.483 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 -0.721 -1.946 -12.832 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 1.562 -5.445 2.843 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 0.958 -3.906 4.500 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 6.851 -6.462 26.962 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 -20.114 0.126 1.802 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 2.982 -7.263 2.711 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 -35.805 7.195 6.008 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 -3.540 -4.249 7.901 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 -2.718 5.834 0.833 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 -3.462 1.748 3.029 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 -9.627 17.058 -17.251 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 1.059 -9.114 4.304 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 2.471 11.633 9.258 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 1.011 -1.329 -11.905 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 0.482 -4.079 3.971 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 -12.313 16.203 -11.179 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 3.683 1.433 11.412 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 3.367 4.633 4.832 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 2.474 25.255 -14.465 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 -4.364 26.243 12.332 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 -3.086 2.388 1.464 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 0.407 9.431 5.123 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 -8.957 -12.113 -4.980 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 -2.534 5.493 3.878 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 2.714 -19.408 -10.573 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 -5.243 8.210 -2.254 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 7.343 2.603 -6.205 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 9.660 2.232 -5.158 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 6.760 0.767 -1.189 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 -0.227 -5.930 4.561 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 -6.629 -3.618 11.793 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 2.055 3.208 -3.577 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 -1.709 1.735 -3.159 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 1.521 5.409 3.005 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 12.286 3.640 4.896 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 4.422 -8.823 2.894 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 4.502 -12.770 4.982 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 4.237 -23.624 9.206 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 2.622 -1.320 2.316 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 26.229 4.803 -7.132 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 -3.864 -3.900 9.079 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 -1.443 2.692 -11.556 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 10.058 -1.335 -13.324 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 -14.878 1.243 -3.087 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 -0.306 -0.681 1.615 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 -27.466 -6.333 -5.938 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 22.709 0.690 -16.045 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 -4.570 2.525 -2.471 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 14.564 -26.628 16.218 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 -4.415 5.514 -1.808 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 4.376 2.175 0.568 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 -19.454 -9.697 -6.378 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 10.112 7.889 3.652 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 -0.930 4.619 1.234 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 5.217 -3.338 0.728 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 -13.725 34.054 -5.981 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 -2.350 4.075 -2.819 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 7.522 -2.874 -13.646 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 -17.544 -3.651 4.285 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 -0.036 -4.969 7.545 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 6.843 3.437 7.379 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 3.224 4.519 15.394 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 2.198 3.844 -1.415 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 -0.940 7.987 -2.528 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 13.393 1.054 -0.214 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 6.451 -6.120 -1.644 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 -17.408 7.575 10.636 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 -2.280 -4.732 17.992 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 -3.041 4.501 -1.902 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 -10.557 4.349 7.333 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 12.636 -21.502 7.817 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 4.323 -0.235 -4.770 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 6.775 -22.418 0.866 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 -15.315 -3.314 7.699 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 1.955 4.020 -0.443 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 0.557 9.164 7.047 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 4.842 14.019 -5.812 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 -1.149 -0.313 -1.337 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 -2.215 32.572 0.133 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 -4.892 15.971 5.694 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 -0.487 1.650 -3.835 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 -6.855 0.783 -4.796 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 -0.869 11.913 -0.937 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 5.914 -2.304 2.204 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 -13.529 4.920 -13.002 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 2.475 -0.329 -7.310 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 -5.802 5.351 0.439 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 -2.164 18.053 4.377 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 -14.837 1.921 12.551 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 -4.838 -8.749 -3.224 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 -7.628 8.677 12.465 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 -1.014 -8.874 7.097 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 -7.046 -2.536 -1.697 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 0.132 -2.378 0.242 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 -11.311 0.402 6.356 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 2.725 -1.059 3.405 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 18.352 -8.415 20.888 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 -7.280 15.644 13.231 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 2.434 1.365 2.887 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 6.124 2.342 0.949 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 -4.474 0.314 10.455 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 -3.570 -3.996 -1.666 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 18.636 -1.356 1.963 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 24.972 -9.845 -7.539 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 -6.117 7.916 5.808 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 12.689 4.548 0.932 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 -0.400 -3.528 -1.716 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 3.575 -4.530 2.084 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 -6.713 -2.560 11.654 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 4.930 17.945 10.915 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 9.544 5.384 -0.211 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 3.474 1.859 15.141 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 0.782 6.664 -3.972 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 3.355 4.095 -3.665 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 -10.122 1.805 -4.997 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 14.019 -12.718 -5.490 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 0.442 1.977 0.957 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 9.168 9.710 28.574 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 -7.774 -16.479 -2.629 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 1.128 -3.967 2.323 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 0.850 8.160 4.264 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 15.140 -14.182 14.441 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 -1.117 -0.587 -0.882 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 -6.204 4.990 -16.301 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 -7.495 1.751 -19.124 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 -0.800 0.132 2.376 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 -2.545 17.204 -20.020 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 4.597 28.323 5.250 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 -3.047 2.684 0.165 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 9.062 -7.381 5.007 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 -7.906 -1.853 14.421 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 7.008 -0.987 -1.583 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 10.078 24.000 2.977 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 -10.444 -19.632 9.328 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 -9.934 -4.096 1.643 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 -12.079 19.703 -20.870 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 -0.490 7.135 28.583 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 -0.609 -0.085 2.922 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 4.876 7.442 -3.253 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 1.085 2.581 12.954 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 -4.390 6.344 3.906 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 2.708 4.444 0.757 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 -4.610 3.575 17.554 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 -3.036 -4.871 2.501 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 0.881 -9.517 3.421 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 -4.858 -1.547 -6.042 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 -3.212 -3.867 3.316 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 -1.034 5.429 -21.645 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 -4.640 -5.186 6.340 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 5.082 -3.368 -0.147 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 -23.673 -22.382 1.022 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 -8.185 -22.906 2.216 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 -1.142 5.420 -6.956 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 2.531 11.126 -13.279 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 -0.928 -3.807 -10.886 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 -1.709 -4.308 2.539 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 1.509 -20.754 11.710 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 18.127 12.113 10.892 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 -1.145 5.014 1.231 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 -0.583 1.645 6.835 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 -4.416 10.269 -11.594 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 2.588 -0.555 -2.760 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 10.284 -18.008 1.797 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 20.860 10.318 -3.194 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 0.021 -6.778 -1.701 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 -25.198 6.606 -8.505 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 -1.205 -3.571 -23.417 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 0.235 1.850 -2.659 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 4.879 9.261 -8.464 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 6.990 -15.108 1.227 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 4.541 1.285 3.449 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 -8.136 -2.905 -15.973 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 -3.226 4.902 -3.528 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 4.375 -0.429 -2.127 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 13.173 6.094 4.432 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 5.971 2.077 -2.624 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 -5.323 6.029 0.175 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 1.630 4.265 -4.088 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 -15.736 -8.686 -15.940 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 -1.467 1.197 -2.317 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 15.492 -20.966 27.718 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 -24.099 0.877 1.306 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 -1.733 0.383 -0.845 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 3.054 -0.530 19.211 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 -5.555 -0.495 0.961 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 -6.893 -2.565 2.018 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 9.771 16.526 25.265 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 7.312 -17.070 -24.696 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 4.599 -4.689 4.566 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 4.759 -0.018 13.812 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 -0.685 -8.884 -2.353 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 3.790 5.345 3.787 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 2.222 1.156 5.194 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 -5.403 -20.373 10.302 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 8.230 0.415 7.651 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 19.341 10.227 8.170 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 -7.785 7.060 10.483 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 -3.891 1.699 -3.516 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 -6.782 1.251 -2.410 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 3.780 0.211 -12.402 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 0.818 -1.259 1.068 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 1.153 -9.674 15.813 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 26.645 19.611 10.796 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 0.197 6.048 3.731 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 -2.991 -1.899 -2.114 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 -7.787 -6.063 9.699 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 1.535 0.473 4.126 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 -17.266 12.623 13.024 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 -6.245 1.283 14.104 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 4.982 -1.259 3.186 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 -13.060 16.322 15.873 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 -8.148 -7.284 -21.031 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 -1.753 2.982 3.805 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 -23.751 13.328 -14.632 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 -0.113 5.724 -10.562 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 4.651 -2.088 -4.140 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 3.834 2.807 -0.522 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 2.048 5.633 -7.439 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 -7.513 3.714 -6.508 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 -12.136 -12.676 -5.880 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 -12.977 -14.739 -8.547 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 -1.736 0.305 -1.434 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 -1.902 8.842 2.708 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 9.567 -1.132 2.867 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 -2.878 1.490 0.167 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 -6.064 -5.272 -1.829 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 -8.354 -3.645 13.114 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 -4.704 -4.317 7.403 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 0.586 5.699 -0.545 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 5.360 21.635 -0.727 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 5.329 1.063 -2.272 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 13.748 13.340 -11.455 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 -10.627 7.962 0.590 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 -0.632 4.747 -3.414 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 1.208 12.250 -2.136 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 -7.040 -4.818 -5.785 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 2.901 -0.772 -1.714 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 1.978 -18.201 -3.292 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 -15.903 12.904 1.020 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 0.160 3.528 -1.654 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 18.228 -22.941 20.627 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 -3.946 10.065 -4.450 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 3.610 0.773 -2.917 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 -7.857 10.603 0.968 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 -1.273 6.734 -4.881 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 -4.279 -1.450 3.257 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 26.645 -14.991 4.809 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 7.096 -6.382 3.934 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 1.452 3.192 5.674 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 6.599 11.970 3.196 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 -9.147 -8.028 7.589 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 -4.651 1.326 -3.552 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 -14.656 2.606 -5.559 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 -14.115 16.407 0.997 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 0.436 -0.852 0.887 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 -4.541 -15.766 3.436 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 13.111 -4.639 0.402 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 -1.887 -1.146 -1.693 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 -6.533 4.151 4.462 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 -7.728 -0.422 25.004 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 0.537 1.019 -4.607 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 -1.608 -6.393 -8.106 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 -2.981 -10.590 -13.278 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 -1.244 -3.224 2.492 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 12.859 11.960 -0.373 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 -13.535 -26.094 -5.330 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 2.238 0.103 -2.451 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 11.849 7.860 -31.934 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 5.893 -10.900 -7.379 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 1.864 2.082 2.786 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 -1.164 0.003 1.768 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 -0.024 0.205 -2.903 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 4.213 -4.717 -0.341 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 -3.387 2.207 28.096 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 16.777 -33.927 -1.758 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 -4.598 -1.912 -1.957 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 -2.173 -4.920 -3.587 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 -4.603 -2.779 -2.139 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 -1.413 -1.792 4.212 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 0.843 1.859 -3.061 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 -2.540 -3.228 2.091 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 4.905 -2.219 2.412 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 5.124 3.191 16.788 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 -2.430 -21.016 8.574 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 2.334 0.919 -1.689 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 -12.379 -2.237 -8.207 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 -10.399 23.274 5.187 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 -5.966 2.900 -7.113 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 16.988 -3.297 -4.305 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 0.813 -22.910 5.780 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 7.133 6.533 -7.997 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 -27.856 -9.554 -25.894 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 27.670 -21.311 -3.707 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 -0.695 -2.321 -0.398 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 0.864 2.693 -9.081 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 -27.042 -6.395 -9.005 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 -4.989 -4.153 3.790 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 5.131 10.845 0.586 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 -2.188 -12.509 0.382 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 -5.864 -1.053 -3.453 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 -4.387 4.196 -5.983 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 -4.984 -4.612 -6.522 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 0.370 4.916 -0.346 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 -9.920 23.354 -34.338 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 -9.147 7.768 -3.711 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 -6.672 6.272 1.932 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 3.562 4.149 -12.383 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 -12.747 1.941 5.190 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 2.376 -0.382 2.727 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 -14.297 21.600 7.544 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 0.851 4.403 -12.259 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 -0.842 -1.622 -4.562 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 -3.669 -0.605 -2.344 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 1.370 -10.715 4.714 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 5.780 0.099 2.529 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 0.287 -6.214 4.494 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 8.594 2.557 9.814 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 -1.904 1.983 4.787 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 -6.681 -1.093 11.316 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 -1.170 -1.898 10.302 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 4.713 3.136 6.626 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 26.519 -19.151 25.049 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 3.260 3.250 12.984 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 -0.550 4.692 3.410 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 22.798 4.462 38.763 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 13.618 -2.892 -7.372 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 2.353 3.292 7.104 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 9.728 -23.938 13.942 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 -6.126 -9.480 -1.271 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 -0.043 -4.936 -1.823 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 -12.311 -6.465 -6.771 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 17.521 4.065 -3.009 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 -5.999 -1.464 3.995 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 -7.599 -0.212 12.985 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 -1.791 -0.810 1.983 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 0.239 1.590 2.400 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 -2.416 -1.387 5.373 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 -1.836 2.022 6.240 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 -4.853 3.345 4.153 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 -13.387 -14.326 -10.014 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 -12.369 -4.271 1.560 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 -1.916 2.712 1.158 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 17.034 5.581 26.450 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 -17.773 12.259 -29.216 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 2.090 2.962 -1.972 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 -1.856 10.009 -6.614 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 -5.816 12.383 -4.675 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 -6.313 -7.247 1.777 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 -5.633 -21.654 3.622 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 -17.746 -5.060 -3.634 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 2.420 4.261 2.385 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 20.760 13.889 0.529 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 -3.384 14.291 29.892 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 -1.439 2.990 -7.324 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 22.193 5.064 7.487 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 29.618 5.135 12.582 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 3.043 3.137 3.532 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 -7.325 -11.274 0.574 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 -6.346 -15.063 0.780 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 1.648 -5.328 -2.348 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 1.463 -0.951 -12.900 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 -11.594 -0.198 12.355 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 4.441 2.517 -1.489 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 25.561 -2.415 -13.628 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 0.514 -1.694 19.782 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 0.288 2.522 -2.889 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 -6.195 -3.191 -14.126 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 7.419 -12.108 -13.036 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 -3.929 0.133 -3.525 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 -4.909 -13.945 29.099 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 -10.174 13.619 -22.195 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 0.565 3.352 -10.031 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 -0.414 19.069 -17.932 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 -8.233 7.582 19.153 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 -3.869 -3.553 0.905 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 10.044 -19.583 -0.088 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 5.675 -15.101 -0.670 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 -2.133 -1.595 -0.585 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 -20.934 -3.061 2.963 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 -8.265 1.945 -6.480 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 3.616 0.376 -1.094 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 -20.312 -3.499 15.080 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 -14.714 -3.078 -2.078 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 -5.648 8.236 -4.118 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 0.469 11.489 3.686 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 -11.454 -2.210 -18.575 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 1.842 0.054 -2.205 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 1.873 -14.940 -2.644 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 0.441 2.728 12.589 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 -2.248 -3.056 7.397 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 2.842 -6.388 -8.120 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 8.328 1.334 12.202 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 7.543 -0.015 1.212 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 1.755 -10.541 -5.678 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 -1.236 4.901 -4.523 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 0.104 2.733 4.358 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 -7.652 -12.452 2.445 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 -15.706 5.151 -6.940 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 -2.805 2.164 -3.106 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 -27.527 -17.720 9.348 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 -14.844 -2.580 5.792 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 1.617 0.883 2.110 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 -1.986 -10.258 -7.433 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 -10.443 -1.239 14.485 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 -5.736 0.723 -0.599 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 12.764 -11.076 -6.636 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 -1.559 -1.406 -2.413 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 1.407 5.177 -1.072 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 5.714 5.573 -6.913 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 3.997 -10.004 12.948 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 1.204 -6.122 -0.737 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 -2.476 -11.933 15.818 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 -26.677 -3.172 6.027 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 0.290 -0.164 -2.106 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 22.185 7.492 16.846 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 10.411 0.028 12.432 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 -0.068 3.123 -1.200 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 -6.590 3.287 -1.233 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 -1.915 6.831 3.243 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 2.484 8.475 2.866 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 -14.172 8.208 -20.308 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 -3.000 -2.548 -1.764 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 3.121 -1.051 -2.933 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 -18.695 -31.648 -12.798 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 -18.557 -32.034 -9.101 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 -5.970 2.219 -3.572 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 -3.346 3.309 -1.403 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 -9.113 2.089 -6.939 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 4.191 -3.538 -4.075 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 6.680 -4.847 -13.721 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 -9.816 -5.161 -17.898 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 4.851 -4.919 -1.007 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 9.862 -10.865 -10.524 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 2.892 5.698 -17.390 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 2.535 -7.105 5.272 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 -0.254 -4.907 13.166 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 10.186 -7.841 12.701 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 -4.628 -4.220 -1.348 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 -7.433 9.712 -2.577 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 9.848 -2.522 -4.211 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 2.621 -3.182 -2.362 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 11.446 -0.756 13.268 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 -20.206 -2.878 -24.187 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 -2.228 1.600 -1.963 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 -12.674 10.291 -6.134 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 -11.821 14.188 10.587 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 1.795 5.528 -3.706 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 -5.679 -1.210 -3.063 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 12.344 1.647 -7.729 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 -2.607 -1.846 6.810 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 22.004 -30.909 24.411 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 -12.376 13.528 6.673 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 2.746 -9.904 -6.770 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 -4.533 -13.615 -11.950 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 8.663 0.756 -13.994 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 11.797 2.410 0.899 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 4.814 3.290 -4.664 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 18.138 -5.217 -4.959 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 -2.752 -3.609 4.090 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 32.170 15.791 20.992 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 -0.849 -6.145 -0.619 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 -4.070 3.172 -5.661 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 21.546 -12.560 -11.310 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 -21.372 38.907 16.726 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 -0.997 4.058 -2.036 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 13.290 -12.110 8.384 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 -28.190 11.367 -18.528 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 -3.912 1.664 -5.759 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 -7.688 2.064 1.672 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 2.540 -3.663 2.266 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 -0.221 3.700 -4.122 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 -10.774 8.718 -4.125 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 4.840 13.306 -6.693 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 -2.718 -2.471 -0.606 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 13.849 2.821 -10.259 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 -3.060 9.982 5.430 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 2.106 3.402 -4.636 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 8.654 6.752 -17.431 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 2.183 21.811 7.774 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 -1.032 -2.144 0.612 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 6.596 -1.193 -1.512 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 3.523 8.131 0.119 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 -2.690 2.596 4.005 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 -13.043 6.900 12.767 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 -5.887 -9.873 -1.946 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 0.219 -3.169 -11.814 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 -2.949 2.767 -8.611 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 -3.660 5.700 -10.244 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 -0.168 -3.803 3.487 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 2.108 9.391 9.052 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 -14.314 -3.473 -4.941 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 0.600 -0.072 -3.960 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 -20.773 7.408 -15.362 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 2.219 3.103 -12.636 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 -2.606 -0.767 -0.651 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 9.596 3.839 -8.479 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 16.224 -3.614 -1.986 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 -3.220 3.940 -3.248 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 8.135 1.865 0.275 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 -17.919 -2.423 -19.304 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 4.888 -2.743 -0.735 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 -21.242 -8.813 -4.516 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 17.224 -1.847 -16.964 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 -3.474 4.626 -2.547 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 -15.166 -6.091 17.562 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 15.781 -5.585 -12.712 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 0.413 5.354 0.475 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 2.603 -21.062 5.082 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 -7.306 24.893 -8.929 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 -1.866 -0.264 0.716 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 -22.446 15.630 14.493 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 -0.867 5.158 19.721 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 2.798 -5.902 6.386 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 7.903 9.323 -15.039 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 -17.731 0.857 12.597 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 3.794 1.764 1.469 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 22.854 4.512 20.603 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 -7.131 -7.827 8.197 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 0.065 6.862 -3.641 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 -8.581 5.227 -10.512 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 -4.795 -2.809 3.623 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 1.890 0.037 2.137 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 0.361 20.398 -7.892 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 1.650 6.831 12.353 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 0.743 -9.001 -2.389 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 27.123 -8.178 1.468 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 -3.471 -22.055 12.209 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 -0.634 -1.396 3.652 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 -41.541 -0.321 -36.822 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 2.252 11.364 21.224 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 -7.953 -1.087 2.217 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 -28.921 -11.868 -16.362 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 -12.613 -3.382 -0.937 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 -1.499 -3.521 3.278 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 -10.605 -0.460 18.576 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 -9.756 -4.213 0.153 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 -2.169 -3.084 -5.622 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 12.816 6.655 -8.163 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 -18.826 -13.082 -5.762 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 -3.356 2.439 8.052 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 -12.476 5.827 5.974 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 6.890 29.962 0.500 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 0.439 1.492 1.979 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 -0.811 8.609 7.562 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 22.197 15.342 -10.728 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 -0.567 1.802 5.149 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 6.043 -9.196 17.360 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 -15.824 -3.184 1.505 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 -2.148 -4.073 -2.595 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 -13.503 -6.927 3.704 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 -16.174 2.799 -12.176 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 2.919 -0.514 -2.509 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 2.959 -7.259 -3.727 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 2.041 1.169 1.512 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 -4.278 -10.618 -3.656 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 -2.661 -1.687 0.216 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 1.243 -18.128 -0.345 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 -3.751 -1.581 -2.309 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 -8.966 -12.695 10.673 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 -0.455 10.314 -23.323 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 -3.285 3.123 -5.190 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 -9.978 6.155 -1.943 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 33.752 10.202 0.767 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 6.188 -0.299 -2.464 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 5.208 8.494 -7.769 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 3.381 10.014 -9.451 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 2.219 -2.366 -5.788 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 -20.675 1.637 1.917 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 3.623 -26.513 -6.326 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 -2.979 2.109 -2.533 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 -0.210 -9.783 2.090 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 -16.001 -0.832 2.185 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 -0.472 1.952 -0.360 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 -19.923 1.027 7.646 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 9.464 -10.037 -1.806 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 1.299 1.764 -1.309 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 0.300 12.807 -6.043 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 0.053 17.637 -4.372 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 -8.510 -0.864 -4.438 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 18.979 -13.712 6.412 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 -6.834 -3.973 -9.206 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 3.637 4.884 -1.778 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 -24.055 6.521 1.940 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 1.936 28.440 5.868 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 0.600 2.076 5.173 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 -3.497 2.938 2.626 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 17.858 -14.504 11.898 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 4.817 1.919 1.304 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 -2.217 -2.748 2.670 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 10.629 3.931 5.285 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 -2.077 -5.359 6.535 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 -7.848 0.370 7.050 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 1.360 -15.668 9.538 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 -0.967 -2.701 -3.746 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 -19.433 -13.028 -7.126 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 11.962 10.024 22.128 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 -4.403 4.608 -6.161 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 -10.880 11.255 -10.057 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 -3.972 6.021 -4.140 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 -9.106 6.028 -3.141 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 5.821 12.704 13.673 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 11.125 21.411 -7.422 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 5.837 0.652 -3.979 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 -10.347 -0.350 -5.484 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 -9.900 -4.349 0.601 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 8.839 -1.028 -1.393 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 12.265 6.180 6.938 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 5.016 -9.889 -7.821 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 -14.730 -1.701 0.205 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 -28.151 -24.359 5.504 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 -10.810 -7.053 11.352 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 -6.988 5.441 9.630 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 -9.357 20.235 1.143 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 5.327 -6.995 -25.887 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 -2.437 3.707 -9.860 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 13.064 14.103 28.260 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 -9.799 1.903 -20.436 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 -2.983 7.690 -5.539 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 0.968 19.763 -22.185 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 -15.842 14.085 3.351 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 -4.922 -5.942 -8.912 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 -0.488 -15.815 -4.067 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 7.378 -7.645 -21.922 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 -2.561 -5.215 4.461 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 -27.232 -2.508 1.453 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 -15.082 9.092 -8.394 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 0.230 2.822 -0.785 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 -1.515 0.175 4.126 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 9.180 1.753 9.086 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 0.278 -2.227 3.434 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 -2.747 13.232 -5.424 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 -8.640 16.743 -3.415 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 -3.371 3.562 1.662 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 5.567 2.858 -4.461 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 -7.727 -7.227 12.591 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 -4.273 -9.502 -1.905 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 -8.712 -38.895 3.783 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 4.100 -6.455 6.205 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 2.539 1.983 0.775 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 8.499 -3.947 7.858 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 5.410 8.727 0.229 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 2.966 4.714 -6.576 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 -9.891 -3.316 -16.482 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 10.841 5.389 4.483 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 -0.092 -3.424 0.336 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 5.339 -8.584 5.874 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 1.797 16.897 -4.942 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 2.939 1.194 -1.509 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 12.019 2.386 -28.968 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 -22.722 -12.258 -1.291 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 -10.062 -2.820 2.640 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 -2.692 -8.933 5.262 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 -6.009 -19.098 7.428 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 -0.471 -5.008 7.475 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 1.899 22.864 -2.787 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 4.694 -2.207 -6.813 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 -2.395 -3.376 -1.525 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 8.935 -3.295 -6.100 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 -11.871 6.320 4.269 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 -0.452 -0.502 -4.566 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 -2.770 -7.990 4.349 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 0.765 -18.692 13.595 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 -4.225 -0.822 2.042 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 -20.219 12.261 1.337 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 -23.816 -33.488 -6.250 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 1.936 5.188 1.425 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 10.463 -0.093 -1.691 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 -5.487 -2.056 5.255 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 -4.640 -2.937 0.103 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 3.248 -3.479 -16.601 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 6.702 -8.517 2.311 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 -1.188 -1.426 -8.392 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -11.989 -4.318 -3.742 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 9.475 18.564 9.776 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 1.086 -6.524 1.352 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 5.989 -6.168 9.126 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 3.361 -16.651 2.846 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 -0.105 4.562 3.377 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 -2.201 -8.616 -6.215 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 -1.388 5.913 3.293 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 -3.150 3.743 4.910 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 3.140 -2.563 11.125 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 -8.427 -1.853 11.126 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 0.361 -0.368 5.789 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 -17.473 21.102 34.601 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 4.729 -2.031 -16.316 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 -4.378 -2.880 -6.190 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 -8.543 -5.147 -1.666 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 -19.794 2.055 5.916 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 -1.698 5.090 3.548 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 7.725 6.672 -2.998 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 -9.039 6.472 -7.983 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 5.869 1.516 4.252 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 9.878 3.025 5.727 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 7.027 2.371 5.563 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 -1.545 1.078 2.815 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 3.143 11.794 -14.294 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 -15.966 13.232 13.502 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 -5.709 5.498 -0.492 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 -31.328 -2.081 -7.858 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 -7.017 1.483 14.842 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 -1.263 5.433 3.010 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 19.380 -0.564 3.312 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 4.422 -9.869 -11.743 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 0.968 2.970 -0.312 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 8.103 6.111 9.737 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 8.388 7.496 9.613 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 4.753 -4.517 -6.737 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 5.012 -9.931 -20.302 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 3.876 0.222 -3.860 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 -2.702 -8.778 -0.753 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 13.026 -6.149 6.572 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 -10.150 0.345 -13.032 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 -4.364 4.290 0.408 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 -6.573 0.299 -0.136 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 -14.808 9.005 -9.406 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 3.050 -3.334 -8.762 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 5.884 -17.041 -9.703 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 15.940 3.560 -13.027 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 -4.498 8.687 4.173 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 -24.484 6.932 -13.561 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 -5.111 6.717 2.374 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 4.997 -0.313 -1.528 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 4.207 2.350 1.608 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 -2.586 8.574 3.252 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 -0.370 0.188 -7.761 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 2.119 -2.753 0.597 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 0.887 -32.150 4.342 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 -4.651 1.108 -1.249 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 2.605 -37.788 -7.012 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 -6.032 19.270 3.277 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 -5.203 3.727 4.168 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 -4.408 -13.096 2.130 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 4.786 15.821 13.596 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 -4.312 -4.689 8.185 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 0.788 -10.702 -32.036 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 12.744 6.015 -21.458 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 8.051 -2.179 4.620 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 8.724 9.192 2.978 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 -1.479 -8.172 5.335 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 -2.686 -11.357 -3.505 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 5.699 -19.883 5.948 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 -13.084 -14.133 -1.719 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 4.853 -0.855 -6.257 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 -11.852 9.928 -5.029 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 8.781 -7.347 11.343 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 3.597 -4.249 2.325 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 3.765 -0.218 -10.978 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 15.579 -7.273 5.045 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 2.537 -3.222 -1.880 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 -0.133 11.288 10.441 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 17.257 21.939 -2.507 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 4.609 0.169 2.045 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 19.682 -0.581 19.222 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 -34.777 -8.703 0.624 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 -1.548 3.814 -0.731 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 0.348 4.841 -1.019 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 -8.805 -0.611 -0.314 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 -0.401 6.960 1.170 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 13.523 3.843 7.290 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 -11.436 8.310 -4.647 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 -1.146 -2.526 5.681 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 9.437 -1.880 -4.769 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 6.529 1.686 -2.439 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 -2.334 -0.171 -5.425 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 -5.825 -1.728 6.835 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 -9.135 -0.371 -3.712 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 -6.562 7.188 1.246 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 -4.517 8.748 -2.737 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 -7.097 6.981 -4.811 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 1.550 -6.386 -2.878 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 -16.276 -26.188 25.254 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 -3.871 -10.420 1.528 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 -0.544 2.557 0.737 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 0.864 4.022 -7.074 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 1.047 -0.218 -0.011 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 3.134 -5.365 -0.256 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 -0.149 -17.325 -5.986 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 1.551 -10.486 -6.933 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 2.585 10.045 -0.999 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 2.644 13.939 -3.376 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 4.991 -2.869 8.819 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 0.691 2.997 -0.546 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 21.640 -1.593 -12.664 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 10.700 16.411 -5.691 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 -1.021 4.480 3.849 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 6.760 -3.775 -18.233 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 -5.035 15.008 15.732 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 -2.027 -2.815 5.506 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 -6.019 -7.226 -4.504 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 1.601 -1.005 2.032 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 1.137 -2.079 -1.358 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 -3.333 0.791 2.884 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 -30.232 9.481 21.620 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 -2.607 0.580 6.123 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 -5.899 1.548 9.286 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 1.395 -1.600 2.057 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 4.776 6.209 -2.614 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 0.725 4.649 9.414 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 11.723 -4.188 -4.539 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 -2.570 -2.924 -2.057 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 2.605 -3.660 5.450 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 36.934 -6.352 -22.777 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 3.505 -5.339 1.346 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 11.411 6.368 -0.242 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 7.449 -0.294 -5.266 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 0.807 2.979 -0.252 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 -18.218 -39.982 -33.267 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 6.429 12.542 6.381 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 4.330 -7.297 4.016 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 -4.080 37.853 -8.279 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 2.035 5.883 11.060 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 2.088 7.479 2.988 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 23.672 -22.664 -19.086 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 15.357 -9.136 -20.581 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 4.739 -0.610 -0.932 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 7.853 3.400 -6.124 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 -10.955 -9.509 15.610 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 -0.039 1.172 -3.922 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 2.042 -0.449 -4.159 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 -0.031 22.281 1.810 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 -5.269 0.698 -3.593 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 -11.007 10.696 -5.211 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 -7.797 12.334 6.125 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 3.201 1.408 -1.164 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 13.478 -32.752 8.980 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 11.474 -16.565 7.227 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 -4.655 4.164 -1.558 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 -6.122 -5.843 -14.366 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 -8.881 7.129 -17.395 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 -1.994 -0.838 2.947 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 -3.937 -5.558 0.453 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 -0.151 -4.891 5.099 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 0.965 -2.228 2.405 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 -13.802 -6.537 -15.546 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 11.542 5.306 10.540 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 6.045 0.012 1.720 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 19.818 -18.414 -2.282 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 -2.126 -4.924 6.108 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 -0.063 -1.424 4.988 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 3.671 9.247 8.123 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 7.839 -4.188 0.257 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 -2.937 -1.374 -3.936 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 -40.443 -14.901 9.219 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 20.232 4.354 -12.846 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 -0.154 -1.706 2.790 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 4.965 -10.461 34.139 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 20.407 -3.486 16.528 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 4.372 4.882 2.490 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 -8.171 -12.093 11.971 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 19.560 6.060 -1.037 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 -9.674 6.688 3.577 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 -19.586 -11.525 10.143 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 -23.607 22.705 8.300 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 1.602 -4.179 3.242 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 32.888 1.000 16.623 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 2.149 -35.297 -14.647 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 2.003 -6.103 -1.340 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 -33.631 5.265 -3.585 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 5.525 31.073 -2.448 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 -3.059 0.512 -2.956 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 -12.190 -0.123 -9.059 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 -0.047 -1.177 -5.410 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 0.893 2.176 0.193 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 1.834 9.137 4.449 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 -4.360 12.762 3.700 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 4.510 3.343 1.805 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 -15.171 -8.580 4.105 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 10.727 -1.979 -19.813 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 -2.361 -2.603 2.847 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 -9.721 -4.764 -1.816 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 -0.427 13.543 -0.703 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 3.400 2.598 1.292 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 7.111 14.443 27.701 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 -14.937 25.835 8.943 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 1.978 -0.178 -0.626 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 -11.406 6.778 -3.304 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 -16.426 -6.507 18.723 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 4.575 4.534 -1.520 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 14.749 3.716 2.362 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 -18.083 -12.027 -14.434 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 -0.423 3.220 2.427 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 2.773 -4.368 -15.206 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 1.208 5.218 1.296 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 8.235 5.657 0.765 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 17.290 4.675 0.345 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 15.482 -7.626 8.753 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 2.422 0.042 -1.171 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 6.492 1.388 -15.750 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 6.614 19.898 14.896 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 1.840 1.486 -2.820 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 -3.301 4.718 -1.275 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 21.553 2.750 12.253 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 0.274 3.793 1.717 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 21.323 -0.257 -4.085 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 -21.299 16.734 6.208 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 -4.308 1.651 3.193 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 -5.319 6.272 -2.956 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 -3.421 -4.728 -5.652 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 -6.694 3.202 -5.130 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 11.966 -0.956 9.514 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 -17.862 0.692 3.552 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 -0.048 3.510 2.477 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 -2.003 2.910 -4.979 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 4.546 9.437 4.772 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 1.730 1.830 1.263 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 7.786 23.072 3.653 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 9.395 7.051 0.399 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 1.710 3.354 -4.298 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 -24.217 -14.973 2.811 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 3.817 53.218 4.643 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 -3.732 -0.832 -1.422 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 -13.207 -3.724 -10.761 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 -9.485 -3.655 8.804 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 2.523 6.381 1.800 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 6.733 7.620 3.757 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 -8.638 6.157 -5.777 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 -4.500 1.264 -0.964 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 0.346 17.942 -12.991 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 4.719 -17.662 7.084 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 3.768 0.689 -7.533 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 -4.989 -6.016 -9.041 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 7.127 -4.308 -12.042 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 4.354 1.072 -0.960 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 -9.554 -8.792 -6.462 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 -4.487 1.771 -13.108 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 5.494 -0.159 6.729 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 8.979 9.685 16.651 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 -15.998 3.412 4.379 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 -2.398 -2.550 5.936 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 -10.258 -4.365 10.660 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 0.342 1.290 2.120 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 -3.525 -3.797 -0.167 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 7.629 -11.570 -24.221 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 2.761 15.573 3.673 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 0.436 2.347 0.322 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 0.050 -5.559 27.177 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 -0.902 3.658 -6.595 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 -6.618 -1.827 3.090 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 -21.972 0.679 14.440 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 1.008 -1.144 -3.222 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 -4.173 -3.355 2.499 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 10.809 -1.006 7.214 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 -4.342 -4.802 7.933 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 -8.106 0.439 -0.453 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 15.303 -3.894 -18.468 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 -5.101 -15.794 -7.804 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 -0.893 -2.217 -9.279 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 2.393 5.863 11.320 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 -9.561 -12.900 -8.205 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 1.087 0.644 -4.111 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 16.858 -13.704 1.839 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 10.014 0.263 5.297 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 -1.173 -0.671 -1.394 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 -10.118 -18.565 4.270 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 -17.110 3.499 -5.572 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 -5.838 5.689 0.868 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 -4.498 -6.445 6.115 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 2.890 -0.682 -4.649 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 -4.007 1.796 1.507 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 -4.765 12.453 0.556 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 -7.367 -3.404 -0.464 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 1.083 1.446 -2.245 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 -20.236 12.452 -0.383 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 16.718 16.734 8.663 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 -2.405 1.085 7.937 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 3.878 -0.229 26.309 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 3.967 -2.355 -2.043 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 0.805 3.389 3.744 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 1.509 3.179 1.242 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 -23.910 -12.564 3.259 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 1.875 -9.735 2.857 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 -0.978 -25.526 43.004 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 -24.484 -12.778 -19.159 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 -1.650 -0.652 -7.005 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 5.455 2.290 -8.295 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 -0.074 -3.562 -9.628 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 -4.752 -4.013 2.847 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 1.409 -1.368 -14.190 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 0.927 -12.329 -1.881 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 5.783 2.659 4.030 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 7.147 1.830 7.713 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 6.488 2.162 6.821 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 -1.521 -4.335 -4.296 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 -3.883 -21.654 -17.446 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 -4.243 -7.628 -1.983 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 1.146 3.818 4.920 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 -3.043 5.719 4.208 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 7.905 0.546 3.965 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 8.196 4.959 2.754 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 1.334 -1.277 -6.625 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 1.390 1.285 13.787 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 1.522 -0.782 1.363 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 -6.614 0.777 13.094 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 5.000 -4.713 -5.433 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 -0.662 2.272 -5.007 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 6.635 2.099 -12.868 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 -9.687 -0.495 -10.820 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 2.697 3.740 -0.498 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 -22.075 -8.099 -13.482 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 15.989 -12.187 -0.380 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 -1.983 4.374 -3.599 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 -6.884 -4.070 19.511 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 -8.384 9.754 13.549 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 -0.968 -0.373 0.692 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 12.567 12.783 5.228 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 0.399 1.768 3.167 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 3.513 -3.846 6.809 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 4.225 -16.418 -0.232 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 16.281 2.783 1.291 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 4.141 0.869 3.354 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 11.322 -0.153 6.412 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 6.264 14.109 -9.853 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 -3.874 -7.381 -0.189 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 8.450 -10.897 4.434 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 -9.473 -9.678 1.237 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 -0.272 0.625 -4.472 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 -10.878 10.316 5.396 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 16.015 17.008 -18.704 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 -0.954 0.556 5.977 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 2.322 16.463 17.226 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 -11.350 4.978 18.533 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 -0.792 -4.330 -1.501 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 7.123 4.093 -5.244 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 8.060 -12.496 -1.017 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 0.724 -7.339 -0.756 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 2.129 -12.558 0.991 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 0.058 -2.391 6.591 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 -2.783 1.107 -4.944 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 1.300 -1.715 -9.515 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 -3.296 3.467 -6.186 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 1.498 2.755 5.976 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 -5.598 11.025 -3.062 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 -5.510 -8.897 9.289 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 -0.004 0.433 1.599 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 -3.414 3.710 -3.462 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 5.906 5.367 3.205 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 1.780 4.844 -0.241 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 12.688 -0.431 0.885 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 -7.805 -3.848 7.140 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 -0.943 -6.890 0.128 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 0.302 -6.197 -10.811 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 -2.079 -4.566 26.466 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 -3.294 -0.720 -0.502 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 6.114 -2.552 14.210 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 -2.588 -6.734 -19.499 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 -1.006 -0.803 -5.150 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 -5.956 4.866 -3.319 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 0.005 -9.941 -8.033 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 5.413 0.464 0.634 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 -1.898 9.369 14.402 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 9.833 21.679 -18.817 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 3.753 2.048 0.344 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 13.030 -0.406 -12.674 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 3.300 2.040 -4.439 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 4.130 -6.486 0.494 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 17.246 6.063 -14.877 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 -18.610 -14.783 5.535 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 0.619 1.652 2.682 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 -8.513 -3.531 0.046 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 -6.372 -9.896 -3.234 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 2.137 2.911 -5.365 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 -18.636 1.019 -4.256 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 -15.053 -5.542 -4.283 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 3.182 -4.827 0.419 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 13.739 -8.996 -4.342 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 -6.338 7.711 8.039 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 1.310 -1.600 -2.211 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 -21.950 -4.186 6.086 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 30.861 4.613 -9.067 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 0.038 3.297 6.935 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 -18.181 -0.479 12.490 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 -28.045 -2.325 15.546 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 -1.186 -0.314 -1.573 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 -8.779 4.171 10.665 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 -6.592 -25.913 -2.015 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 -2.486 1.713 2.726 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 -12.279 2.023 3.776 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 -7.736 20.029 0.334 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 5.211 -0.152 -4.442 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 5.715 1.081 -11.911 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 0.715 -18.005 2.372 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 1.776 -1.005 7.423 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 3.663 15.866 -3.598 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 -4.404 -5.759 13.986 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 -2.287 -2.232 3.239 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 2.348 5.605 -0.611 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 -1.466 3.242 13.231 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 0.599 -6.135 -1.427 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 1.642 -6.675 -12.823 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 -3.508 -6.511 8.726 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 -2.641 -0.572 3.649 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 -15.054 7.729 -7.661 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 24.823 -2.506 -18.886 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 4.752 1.244 4.355 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 -21.159 -1.324 28.540 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 22.294 24.926 9.211 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 -4.318 0.956 2.746 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 -5.396 1.616 1.283 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 3.894 -16.700 8.286 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 -1.570 -3.402 -4.411 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 23.452 18.354 -22.018 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 -6.937 2.722 16.168 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 4.085 -0.423 -5.783 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 -2.036 -3.944 -3.328 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 10.193 3.860 -7.510 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 -2.412 -2.852 -5.581 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 -18.737 -24.290 10.117 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 -15.623 9.382 -3.627 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 -7.377 0.291 1.974 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 -17.253 -0.856 -23.422 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 -2.378 -4.190 31.597 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 3.723 2.417 4.180 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 10.315 3.841 9.870 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 7.794 16.150 -6.225 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 1.857 -0.178 0.841 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 -12.348 14.224 -4.760 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 12.849 -8.768 13.495 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 6.353 -0.357 -4.757 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 6.897 6.889 8.871 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 -1.030 -7.162 -3.023 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 1.479 -1.453 10.885 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 -5.436 2.494 3.064 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 -7.942 4.413 -1.408 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 2.938 -2.075 -3.586 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 -13.996 6.650 -26.298 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 9.535 22.260 10.916 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 -0.480 5.656 -0.805 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 -5.680 7.391 2.561 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 -4.878 6.190 3.770 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 6.673 10.239 -5.988 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 -11.254 2.551 -5.242 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 -10.512 2.705 3.751 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 -3.652 -3.676 2.653 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 -9.489 -28.943 -0.684 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 -6.273 -3.128 -1.096 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 5.103 -0.499 4.501 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 -5.081 8.301 -7.057 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 -12.133 0.765 2.316 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 2.257 2.756 -4.004 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 25.397 7.812 5.223 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 -24.601 9.315 1.606 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 -4.926 -5.029 0.070 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 1.248 -9.207 4.722 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 1.509 13.586 8.720 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 0.418 -6.900 1.184 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 16.382 23.830 16.430 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 13.673 4.252 9.365 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 -4.795 0.488 -2.287 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 1.963 0.569 -7.286 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 -9.247 -7.932 -0.968 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 3.351 -1.317 4.324 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 -3.239 0.086 7.449 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 13.941 3.316 -3.105 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 1.330 2.428 5.923 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 3.709 -4.302 0.294 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 0.269 6.489 0.686 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 -3.944 -3.150 2.202 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 -0.700 -6.164 -2.377 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 -1.802 -5.865 -1.521 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 -3.363 2.088 -8.444 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 -4.380 7.852 -6.291 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 -3.727 -4.177 -9.776 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 2.313 1.464 -3.675 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 -1.019 4.216 -10.707 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 8.601 0.807 -2.059 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 2.619 -0.417 0.249 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 4.937 -7.278 -31.400 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 -6.707 -23.813 -3.520 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 -2.885 -0.634 -1.720 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 3.349 -8.950 9.335 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 -10.038 -6.958 -3.632 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 -0.155 5.880 0.247 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 1.650 11.902 3.447 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 0.564 7.188 1.202 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 0.684 -2.864 -2.170 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 5.499 -14.879 -0.054 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 2.324 -26.542 7.022 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 -1.676 -0.828 -2.492 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 33.066 12.621 20.665 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 12.459 -2.971 -16.184 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 -4.409 -4.138 2.739 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 -4.312 -2.103 2.062 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 -2.691 -0.979 1.335 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 -4.997 -5.132 -0.788 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 -6.662 -4.046 16.377 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 -2.060 7.167 -5.029 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 1.252 -0.757 -4.426 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 6.800 15.547 -10.648 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 -4.878 -4.819 -20.856 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 -2.192 5.287 5.685 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 -2.283 -2.654 4.546 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 13.231 10.769 -14.569 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 6.324 1.624 -9.197 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 10.270 -9.063 -20.232 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 1.168 17.318 21.771 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 1.007 5.621 -2.483 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 -0.702 8.102 4.049 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 4.317 6.450 -29.787 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 3.769 0.973 1.905 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 0.529 7.086 0.077 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 1.286 -0.329 3.637 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 6.075 -4.454 7.944 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 16.546 -6.305 -13.336 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 -7.052 19.340 11.362 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 -5.820 -1.102 -2.691 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 6.644 -12.364 -6.216 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 -32.986 21.070 4.938 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 -0.336 2.145 0.223 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 12.949 1.119 -1.850 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 6.174 -10.630 -1.427 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 -2.572 -4.491 -5.111 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 1.344 -5.270 -8.362 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 -9.775 -9.090 7.608 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 6.418 1.708 6.328 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 -4.479 14.414 -11.791 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 -14.457 4.262 -12.080 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 -2.008 -0.207 -4.828 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 -1.520 1.040 9.188 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 -1.328 1.865 -3.376 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 -1.147 0.156 -1.547 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 7.659 3.883 -9.232 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 8.509 -8.889 -23.296 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 5.577 3.562 3.276 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 5.596 1.906 -3.524 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 5.960 8.404 2.765 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 -11.331 6.966 0.734 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 -26.006 2.137 -0.156 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 -17.168 -6.996 5.402 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 0.513 0.792 -0.580 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 18.294 34.739 -12.813 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 -0.053 -4.303 1.690 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 -3.268 0.518 -0.605 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 -2.129 2.928 9.648 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 -7.343 -13.134 4.842 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 2.731 4.079 -1.806 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 14.556 -14.971 -2.266 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 -2.083 8.820 -4.748 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 0.294 5.883 -2.705 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 -2.844 -20.987 -21.250 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 25.096 0.734 15.472 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 -1.964 7.278 -5.144 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 -5.788 -0.729 3.454 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 -2.471 5.457 -4.923 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 8.535 -5.970 3.570 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 12.021 -6.809 5.192 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 5.428 -6.670 -0.596 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 2.585 6.679 -0.528 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 -19.266 -7.520 16.874 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 15.045 0.047 4.270 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 2.266 -4.463 -3.405 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 -8.941 20.543 17.709 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 24.246 -11.516 -29.849 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 3.873 -1.394 3.737 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 -3.020 1.755 7.477 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 7.694 17.814 14.095 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 3.842 -0.647 -3.776 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 5.263 4.961 -10.204 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 6.159 -25.831 -1.398 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 8.690 3.556 -2.089 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 3.858 4.499 6.653 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 0.322 5.327 -7.985 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 5.111 2.498 -5.294 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 6.226 4.899 24.809 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 14.015 -14.476 -9.577 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 1.995 -0.069 2.662 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 -1.724 5.587 -1.095 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 -17.890 -36.431 27.893 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 7.059 -2.542 -0.586 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 -7.322 -29.847 15.597 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 28.006 18.155 23.635 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 3.934 6.107 -9.455 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 8.803 19.437 -4.613 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 17.660 12.214 -10.110 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 -1.876 -2.642 0.570 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 1.016 16.192 5.860 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 -3.431 -7.342 -14.084 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 3.739 -1.162 -1.039 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 -4.828 7.835 -3.429 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 12.745 3.906 -10.064 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 -2.212 -2.641 2.351 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 0.126 -8.361 0.739 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 -21.003 -7.954 5.555 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 0.521 -5.994 -0.900 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 -2.881 -0.888 2.094 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 -1.778 1.062 -5.074 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 -0.884 -1.692 -1.672 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 5.766 18.341 -19.680 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 1.034 -6.231 -20.540 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 -1.509 -3.938 5.467 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 -9.457 -21.438 0.956 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 -4.709 -2.416 -3.527 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 1.081 -9.278 6.764 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 -0.368 -13.049 6.827 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 18.146 9.658 1.995 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 3.495 3.901 -5.103 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 -3.869 -19.949 -19.545 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 7.807 -10.703 -13.853 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 2.977 3.157 5.901 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 5.031 -0.264 -14.890 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 5.493 10.389 14.256 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 4.380 -1.737 -5.503 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 13.966 4.408 -12.981 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 7.585 0.148 -8.279 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 0.074 -2.643 -5.576 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 -14.778 -19.672 9.213 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 1.616 26.253 2.454 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 -2.212 2.063 7.820 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 3.241 -20.401 -9.441 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 -7.027 -1.355 6.618 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 1.654 2.512 -1.529 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 0.344 3.313 -1.971 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 14.787 1.391 -35.676 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 -3.290 2.908 5.710 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 -7.782 2.282 8.874 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 -3.688 -4.496 -0.843 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 -1.204 -3.846 5.190 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 -4.433 -4.743 -0.545 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 -25.256 -26.321 -12.122 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 -1.178 4.501 -0.499 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 -7.281 16.267 11.744 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 -16.555 6.535 3.521 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 2.408 -2.157 -3.931 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 0.136 13.617 -22.912 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 15.416 -2.916 10.114 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 6.076 3.565 2.467 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 6.853 8.513 -4.648 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 -13.399 34.839 13.523 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 -1.594 -2.927 -0.729 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 7.321 -7.256 -3.047 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 -25.748 8.425 6.130 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 0.817 1.250 -1.422 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 4.820 -8.552 -0.563 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 -5.510 -8.196 1.906 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 -7.199 2.879 8.359 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 4.032 6.132 8.717 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 -10.716 9.162 -1.952 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 3.226 -0.929 2.262 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 -8.943 -3.078 11.358 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 7.692 2.660 -8.585 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 -0.320 1.490 0.395 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 26.551 -4.249 4.422 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 -1.128 -0.482 -27.485 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 -3.184 -2.878 3.467 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 -0.396 -13.575 -2.125 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 -6.062 -9.587 2.328 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 4.307 -1.219 1.471 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 -7.851 9.554 1.112 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 -0.345 5.650 12.710 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 -2.428 -2.440 1.597 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 18.320 -0.239 17.049 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 -6.197 -6.533 -12.433 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 1.718 7.502 -2.670 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 2.300 -13.872 -0.796 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 17.136 5.163 3.020 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 3.303 6.321 -0.963 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 -3.123 -1.071 -1.269 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 9.123 9.946 -3.884 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 -5.402 1.070 -0.649 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 7.360 -13.689 2.604 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 -5.281 1.358 9.610 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 -1.024 -0.093 1.646 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 10.187 3.572 0.633 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 1.518 3.252 -16.215 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 0.404 0.555 -5.062 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 -17.489 35.037 0.579 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 -16.864 -20.732 -6.339 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 3.848 1.255 -4.707 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 -1.791 -13.628 -1.630 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 -8.459 -28.726 6.224 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 -8.544 2.101 -0.292 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 -11.123 3.860 -13.117 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 6.785 -9.818 -6.986 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 1.028 -0.984 0.087 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 -18.367 -0.211 16.295 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 -10.027 -15.000 -12.138 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 3.121 -1.956 -2.945 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 2.531 5.311 2.164 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 0.712 -19.918 -15.007 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 -4.457 3.451 2.241 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 -6.805 0.590 4.958 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 2.905 12.564 -9.101 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 -0.226 7.413 1.320 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 0.088 -0.412 3.302 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 -0.644 7.423 1.884 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 1.162 -4.476 -3.383 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 -4.037 -6.422 2.763 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 4.387 -4.509 -13.897 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 4.463 -0.465 -1.886 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 -5.830 -4.008 -5.885 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 5.377 -3.147 -2.941 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 -11.563 1.447 3.581 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 -15.154 4.954 5.057 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 -3.297 -7.122 -1.781 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 2.343 -0.731 -2.653 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 6.002 -8.820 -23.275 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 14.568 8.707 8.903 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 -8.413 -2.485 -9.537 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 -7.749 -13.111 -12.223 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 -20.357 7.163 -14.168 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 6.439 0.671 -6.510 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 3.969 10.624 -12.258 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 3.264 -8.274 -0.972 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 -3.592 1.448 2.492 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 9.591 -20.870 -1.950 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 19.611 13.193 9.651 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 0.173 5.590 -1.258 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 -0.095 -5.805 1.685 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 -24.875 4.471 9.005 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 2.464 0.868 6.304 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 15.842 12.017 -0.210 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 -5.306 4.417 22.063 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 -4.026 -1.730 -0.199 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 4.659 -28.936 -6.586 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 18.124 -2.170 9.437 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 -1.695 -4.613 1.236 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 0.622 -5.779 6.020 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 2.064 -5.361 -1.979 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 1.569 -4.365 9.851 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 2.896 -2.097 10.523 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 1.308 -7.229 9.644 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 6.122 -6.807 3.963 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 3.362 1.897 24.882 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 -22.272 -11.320 13.503 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 -1.954 -3.609 2.854 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 1.230 -0.908 7.971 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 6.285 16.109 6.382 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 -4.096 -0.985 3.531 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 -2.086 -2.251 -0.780 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 -7.270 0.815 15.295 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 0.013 -5.216 -0.143 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 -0.110 -1.025 4.951 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 6.099 5.901 6.299 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 -5.654 -2.287 5.806 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 -4.576 3.274 5.148 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 -4.877 -12.097 6.811 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 -4.414 -0.935 0.947 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 -4.631 9.319 2.563 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 2.264 7.406 -2.118 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 4.851 1.146 1.553 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 7.015 3.552 -15.550 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 -8.337 5.799 1.196 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 -0.923 -3.305 0.096 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 7.876 -2.460 -1.143 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 5.535 7.253 1.950 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 3.215 5.512 -6.302 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 -42.729 -12.903 12.993 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 -11.731 -0.809 41.243 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 -1.252 4.990 1.809 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 0.964 15.875 -0.179 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 8.057 -8.226 -2.056 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 3.400 1.710 -3.229 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 2.981 1.714 -3.890 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 -21.400 -2.558 9.106 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 5.294 0.108 -0.461 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 3.864 7.152 10.205 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 -9.761 -8.142 6.386 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 3.146 -2.032 -0.601 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 3.329 4.128 3.335 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 9.983 11.982 -3.166 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 4.057 3.270 1.606 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 -3.208 16.901 -10.612 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 -12.190 -22.444 -11.736 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 -3.149 -4.110 1.846 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 3.437 -11.773 -12.546 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 25.201 14.820 -46.012 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 2.603 -0.766 -0.950 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 -11.308 2.410 6.666 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 -11.085 5.909 5.184 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 -0.818 -1.523 -4.354 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 -8.340 -12.271 2.872 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 -10.326 -2.665 -16.474 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 0.507 -2.147 -7.116 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 -1.622 -15.215 -10.634 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 9.511 -2.617 0.808 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 2.159 2.836 -3.489 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 -3.461 10.343 -1.791 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 5.904 -5.806 -7.471 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 4.056 -3.520 -4.113 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 4.264 -7.962 4.051 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 8.133 -17.896 -5.650 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 0.900 -2.899 2.575 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 -7.670 5.372 -0.163 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 -20.614 21.956 -4.829 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 6.159 0.854 -2.710 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 12.056 -15.029 1.451 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 9.069 -6.744 2.909 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 1.462 -3.302 2.927 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 -0.366 14.865 -9.017 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 -23.838 -6.505 -3.315 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 -5.317 -3.058 -3.435 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 11.346 -28.216 -12.840 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 11.626 21.113 -10.992 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 -1.556 9.436 -5.140 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 2.914 6.015 5.460 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 -3.348 9.559 5.694 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 2.222 -5.064 5.139 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 2.902 -13.337 10.867 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 2.595 19.885 -14.149 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 -1.322 0.217 -0.952 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 -1.138 3.335 6.435 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 -7.936 2.073 3.688 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 10.849 -3.617 1.238 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 4.698 -8.819 -1.666 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 0.527 -3.348 -5.465 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 -1.103 0.053 12.636 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 9.171 -23.424 -8.649 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 2.009 -0.128 5.830 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 -1.318 -3.417 -0.500 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 -10.206 0.540 -10.768 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 5.351 -3.088 -11.486 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 -0.981 5.263 -2.344 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 -0.899 9.521 -2.198 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 1.318 0.358 3.562 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 -3.221 6.695 -3.001 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 11.634 -26.162 18.919 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 8.139 14.127 -3.462 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 4.461 3.456 -0.971 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 6.884 3.383 5.732 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 -2.522 5.294 16.550 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 1.443 0.438 -1.111 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 2.960 -5.514 -5.498 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 2.450 -4.025 -4.048 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 -1.940 -1.844 -3.526 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 -8.749 -15.208 -1.842 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 13.299 -5.300 -13.375 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 -4.515 0.931 2.087 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 5.889 -5.366 14.859 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 -12.811 6.170 -5.032 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 4.214 -6.586 -0.966 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 10.375 3.565 8.151 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 17.956 -18.482 -11.758 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 -0.460 0.401 0.170 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 -6.167 2.270 -6.892 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 -15.094 7.285 7.010 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 -5.033 2.542 -7.150 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 4.650 19.263 -22.052 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 -8.594 -4.509 -3.756 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 -6.575 -2.623 0.472 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 9.440 -2.299 10.103 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 -11.535 16.491 0.714 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 -4.036 -1.338 3.295 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 -9.036 9.961 7.425 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 31.073 -23.063 9.561 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 -0.461 3.289 4.170 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 -9.469 -5.028 1.379 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 11.516 -0.785 1.644 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 -3.170 -0.728 -2.280 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 -16.021 -10.734 -0.913 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 8.840 -6.518 7.247 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 -5.987 5.323 -1.318 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 -20.427 22.239 0.221 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 18.470 16.249 18.717 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 -0.540 3.789 -3.473 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 -13.811 -9.253 -9.439 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 -0.610 -5.703 -8.692 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 2.085 0.907 -3.106 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 7.647 -12.769 5.046 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 7.992 6.744 4.655 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 -0.649 -8.092 4.189 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 -1.336 -5.340 3.456 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 16.899 -9.463 -21.205 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 -8.042 6.684 3.274 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 -2.243 9.617 6.353 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 -8.275 5.080 2.563 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 3.652 -0.973 0.960 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 6.706 3.191 12.147 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 3.977 -10.210 7.926 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 4.852 4.584 1.452 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 17.582 0.156 -10.631 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 6.748 11.942 3.242 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 0.907 -0.584 -1.885 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 -9.920 -4.752 -1.274 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 -4.500 -20.137 -0.192 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 5.500 -2.882 -6.488 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 -6.910 -4.906 3.874 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 -5.409 -3.270 -13.342 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 1.293 -0.326 2.153 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 -18.450 7.501 -9.013 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 -13.866 18.902 1.748 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 0.036 -0.203 -0.815 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 3.549 -17.910 19.624 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 1.507 -3.721 2.008 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 -1.071 0.882 -3.328 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 -0.327 -3.051 -5.393 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 -1.089 3.413 -1.664 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 3.769 -4.256 -0.747 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 12.697 1.083 9.805 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 -6.206 -15.231 -2.473 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 0.116 -3.299 -3.146 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 24.749 -9.587 1.006 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 13.727 -20.313 -19.652 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 -2.438 1.154 -3.075 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 -11.262 -8.613 8.625 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 13.985 1.437 -0.412 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 -4.127 2.611 -0.602 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 -11.740 -2.219 0.178 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 -9.489 1.225 -0.238 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 2.983 1.143 -4.080 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 -1.173 -4.800 7.029 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 -2.216 -2.607 -17.025 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 -0.709 -3.004 4.353 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 9.628 -24.749 -0.084 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 -8.680 -15.442 9.982 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 -4.097 3.109 3.316 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 6.178 -15.231 -17.172 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 -26.270 14.071 -1.444 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 3.552 3.170 0.967 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 -4.412 -3.889 1.887 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 8.532 0.126 9.359 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 0.918 -0.841 2.860 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 1.260 13.109 17.048 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 19.006 0.450 -5.007 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 1.166 -5.690 1.122 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 -1.280 9.237 14.000 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 5.322 2.254 23.219 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 7.743 -1.486 -4.633 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 22.666 -4.489 -17.395 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 4.480 -1.852 -17.352 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 -5.108 -7.962 1.948 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 -26.086 2.323 -8.493 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 1.877 -9.439 5.226 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 -5.297 -10.807 -1.736 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 6.273 -8.722 2.217 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 -5.040 -11.112 -6.275 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 10.755 -1.350 1.131 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 9.052 -11.233 6.074 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 12.104 0.095 3.935 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 3.972 3.452 -4.368 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 19.984 -0.801 -10.671 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 -10.016 6.554 1.287 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 0.612 5.992 2.777 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 -0.043 6.436 3.609 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 2.176 -13.281 -6.221 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 -3.719 2.495 3.424 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 -16.739 3.374 -8.789 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 5.595 2.151 6.817 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 -1.980 -5.632 -0.236 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 -8.389 -23.030 -19.032 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 -2.092 10.838 -6.218 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 0.230 -0.941 -2.776 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 1.601 0.224 0.633 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 2.200 0.090 -5.473 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 3.773 -0.966 0.049 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 10.178 14.684 -20.178 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 -1.654 -17.215 -2.186 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 5.307 9.733 -1.126 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 16.716 4.454 5.866 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 23.265 -18.238 4.733 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 -5.799 -0.347 -0.743 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 14.303 28.040 2.462 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 -6.631 4.827 -8.275 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 -4.624 -2.614 5.854 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 -23.385 -9.007 -0.374 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 24.933 11.229 17.204 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 -4.961 -1.576 2.648 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 11.401 -22.207 13.552 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 14.388 -0.999 -9.189 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 0.911 -2.852 -2.312 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 -15.830 -1.870 -11.836 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 -2.842 -3.630 16.737 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 -2.459 -0.393 2.402 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 -15.746 -0.696 -8.320 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 2.894 14.630 -4.322 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 -1.556 2.618 4.500 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 -0.574 4.935 0.403 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 -0.325 -4.334 1.677 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 3.058 1.708 -4.418 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 11.324 -14.092 -2.489 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 -14.831 -2.198 -31.497 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 -4.387 -3.093 -0.575 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 -18.654 12.977 -0.191 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 -7.205 -32.724 -6.667 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 -0.605 5.888 3.961 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 2.787 -15.841 -2.125 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 -18.934 5.098 21.075 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 -8.139 -3.938 6.477 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 -1.632 -1.010 -1.468 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 -31.288 -8.380 29.443 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 -2.299 1.596 -0.403 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 22.668 -1.944 -3.482 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 -13.248 -5.505 2.587 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 -0.717 1.336 -0.177 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 -4.116 9.332 -9.171 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 1.601 3.717 19.439 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 -0.571 -3.557 -2.493 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 6.543 -11.379 2.383 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 2.241 -6.042 -0.854 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 3.663 -4.279 -0.487 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 -3.836 -14.620 2.578 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 18.636 15.240 -6.344 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 -2.203 -2.481 4.097 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 -6.680 -12.671 5.489 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 -3.970 -3.819 4.891 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 -2.796 -2.216 -1.818 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 17.652 -13.620 2.017 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 -1.942 -1.093 -3.178 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 3.076 -0.392 -1.208 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 3.004 0.708 -0.957 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 18.273 17.785 14.414 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 2.033 -5.187 -6.145 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 -11.130 3.580 -32.078 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 -3.685 2.560 -20.330 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 0.693 -7.800 8.217 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 9.825 -12.858 7.682 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 -9.664 11.696 5.638 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 -2.678 -1.115 -2.305 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 18.097 -7.226 -1.582 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 -25.539 3.033 15.239 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 2.118 3.666 3.967 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 5.166 -2.299 -7.936 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 -5.129 7.030 20.925 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 -3.731 -5.431 -2.462 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 10.380 -2.973 11.358 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 19.025 43.264 15.374 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 -2.086 1.498 -0.245 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 -2.044 -6.718 -12.975 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 -11.053 17.904 4.733 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 -1.296 -3.068 -3.790 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 4.705 -4.360 -7.414 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 7.676 -2.085 -14.692 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 -0.456 7.242 -5.549 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 0.419 19.840 12.202 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 19.812 19.617 19.060 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 3.585 -0.183 2.643 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 2.908 -3.821 19.041 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 -11.884 8.716 0.609 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 3.191 2.952 0.033 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 -5.221 17.431 14.466 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 12.732 17.383 7.066 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 1.064 0.679 3.709 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 -8.163 -13.355 -5.976 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 -12.567 0.877 19.789 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 1.747 -3.813 -1.774 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 -5.203 -6.635 -9.444 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 2.416 -1.431 4.651 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 -5.310 -1.137 -3.834 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 -20.307 1.619 4.017 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 -8.630 7.174 -2.426 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 3.421 -3.357 -2.417 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 3.141 -3.164 -2.858 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 2.788 -4.378 -2.266 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 0.525 -8.703 3.995 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 -3.109 6.442 -20.525 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 3.343 -10.286 6.845 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 -0.021 -0.113 0.179 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 -5.097 -1.497 -4.152 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 -3.727 0.406 6.133 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 1.941 3.042 -1.753 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 6.035 6.437 -4.170 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 -1.074 2.002 9.489 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 1.334 -1.025 -4.796 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 -15.741 -5.913 9.730 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 4.506 -6.271 1.849 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 3.720 5.652 3.050 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 0.478 3.357 2.248 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 0.692 15.034 4.450 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 5.123 0.650 -4.323 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 -6.628 -7.634 -5.673 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 0.318 10.615 3.176 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 -1.863 4.109 2.486 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 9.287 5.166 -5.121 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 -10.859 -24.361 4.361 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 3.137 8.601 5.054 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 9.253 -1.938 -12.672 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 9.219 -10.725 -9.792 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 5.050 -2.186 -5.178 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 0.559 -2.849 -3.621 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 8.079 -2.578 -0.684 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 4.783 -1.251 -2.859 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 22.370 -4.708 -22.873 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 0.942 11.848 -12.518 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 1.334 0.656 -2.889 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 2.163 3.571 -1.876 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 2.563 -1.405 3.688 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 -3.950 1.716 -0.813 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 3.758 -12.130 -5.716 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 -8.106 -2.284 12.458 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 4.215 1.761 -4.158 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 20.246 -14.781 -6.936 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 -8.862 10.169 1.608 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 1.382 -2.639 3.365 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 -1.946 -0.531 -3.090 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 -3.226 3.942 -6.942 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 4.453 -0.357 0.052 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 3.626 -0.551 -8.853 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 0.523 4.359 3.305 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 1.936 1.924 -1.891 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 6.700 -0.120 19.155 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 -0.903 5.823 1.783 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 4.386 1.145 -6.577 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 0.931 0.398 -9.401 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 0.352 -0.157 -13.648 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 -1.649 -3.013 -4.006 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 4.929 6.273 -5.480 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 21.432 30.481 -9.778 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 -0.425 -4.161 1.234 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 -2.277 -12.578 5.915 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 -3.796 -6.539 -6.173 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 -1.685 -1.714 2.035 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 -4.281 -2.901 21.464 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 -5.196 0.257 1.384 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 -6.923 -2.462 -1.014 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 -21.791 -1.015 5.789 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 0.913 8.219 7.560 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 5.668 2.103 -4.606 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 20.699 10.898 -4.240 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 10.370 -6.972 -7.526 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 0.508 -4.789 4.903 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 -1.969 -0.465 3.745 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 -17.093 18.127 -10.681 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 4.763 -0.958 4.167 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 4.284 -0.710 -5.270 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 8.049 13.636 0.860 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 3.821 -6.896 -0.212 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 -5.747 0.262 -16.388 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 -4.940 -23.468 -16.407 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 -2.481 2.018 -1.545 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 -9.116 0.321 8.684 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 -6.739 -9.879 -4.449 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 -0.332 -7.852 -0.184 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 -4.134 -10.411 7.572 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 -4.337 -6.562 -3.330 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 -0.897 -4.503 -1.558 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 -1.327 -9.166 12.306 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 1.091 2.080 -12.314 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 4.043 -0.180 1.352 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 3.107 8.834 5.406 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 13.270 10.906 14.156 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 5.223 1.337 -6.268 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 -1.128 7.268 5.643 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 5.870 15.331 -26.840 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 -3.247 8.573 -0.590 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 -8.683 2.918 -3.810 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 -10.777 20.080 10.599 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 -2.905 0.745 -7.716 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 -19.496 1.278 -25.299 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 25.393 -2.068 -26.326 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 0.365 -3.842 4.468 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 -3.409 0.930 7.821 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 -0.123 0.729 3.393 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 0.974 5.402 1.061 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 -2.687 8.863 18.629 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 -37.382 16.271 -8.001 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 0.507 -4.682 -1.761 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 9.273 9.878 4.306 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 10.512 8.824 -5.521 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 2.214 -3.197 2.924 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 7.499 1.116 -2.177 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 -1.604 7.944 2.286 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -1.417 1.591 0.321 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 -7.343 -9.112 6.954 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 8.421 7.095 8.193 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 1.676 -3.195 -5.495 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 4.704 -15.589 -2.742 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 -4.920 21.328 -8.424 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 3.103 3.835 4.055 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 -13.386 26.562 7.217 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 -20.715 16.270 -7.858 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 3.690 0.740 2.306 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 7.182 -6.779 2.874 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 0.416 1.959 10.775 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 3.753 2.274 6.818 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 15.717 5.516 13.383 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 24.778 -11.351 2.687 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 -2.646 -4.217 -1.108 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 -0.667 7.866 -6.521 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 4.531 -12.249 -6.844 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 -0.697 1.758 1.541 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 4.877 4.983 -2.577 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 1.267 -1.309 9.868 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 -1.635 -0.127 2.370 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 10.823 13.717 12.817 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 -17.391 -41.465 -21.716 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 -6.621 1.504 5.158 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 -17.410 16.073 11.754 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 -17.005 -13.744 8.803 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 -0.190 -5.760 -7.041 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 -1.890 -9.097 9.087 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 -16.930 4.519 -8.778 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 -1.820 8.005 -4.088 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 1.747 -17.584 -3.897 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 -6.319 15.628 -2.636 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 -2.676 -4.928 3.502 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 -1.626 -0.435 3.752 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 -4.373 -4.566 -18.339 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 3.855 -3.258 -7.333 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 -4.840 -3.332 -1.408 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 25.690 -13.728 3.439 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 -7.377 -2.774 4.767 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 -13.477 17.228 15.561 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 10.133 6.118 -9.927 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 2.173 4.315 -3.965 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 -10.295 -1.513 -0.348 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 2.720 -6.986 -8.868 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 1.657 3.584 3.170 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 -5.748 7.087 -3.131 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 25.236 -10.890 11.094 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 -2.733 -4.078 10.195 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 13.762 -10.524 22.021 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 0.733 3.352 -3.889 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 -7.598 -4.267 1.219 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 -11.910 8.302 5.144 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 -5.520 -4.335 -12.291 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 3.581 -6.358 -1.553 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 16.436 -13.182 -9.725 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 1.748 16.830 -3.835 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 3.514 -0.366 -3.561 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 10.441 -17.245 7.530 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 5.126 12.425 -10.478 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 0.207 3.382 -1.030 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 -1.893 4.211 -1.246 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 1.051 5.920 -0.583 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 -2.782 -6.138 0.804 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 -2.046 9.757 20.870 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 18.713 -6.277 -6.791 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 -2.537 -4.512 3.533 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 -15.332 17.281 34.114 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 8.036 -20.563 -13.937 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 -4.680 -3.828 3.226 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 -33.967 10.524 31.339 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 20.494 -0.962 -7.677 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 0.191 -2.373 2.876 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 -11.949 -9.881 4.421 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 7.556 -11.197 1.501 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 -7.492 -7.211 1.509 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 -4.969 -14.722 -20.253 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 23.603 -5.347 -6.714 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 -8.529 5.774 -1.132 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 -18.691 -8.383 -0.537 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 -11.205 2.576 -7.210 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 6.615 1.575 2.944 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 8.088 15.025 7.190 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 -15.585 6.338 -9.799 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 -0.126 3.515 0.867 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 2.603 6.802 1.704 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 11.565 24.106 2.320 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 5.383 1.411 1.108 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 8.845 3.017 17.679 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 24.078 16.637 -16.451 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 3.380 1.617 1.253 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 -11.370 -19.306 16.462 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 1.738 1.823 -1.171 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 6.911 2.535 -0.392 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 4.276 9.920 3.200 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 -11.515 8.389 -1.562 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 -2.540 0.281 -2.344 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 12.904 -14.303 -0.253 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 -6.913 -4.198 14.490 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 3.497 -1.749 -7.094 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 -4.842 -12.772 12.510 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 4.054 16.861 -9.124 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 5.598 -0.032 1.480 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 -3.090 -11.624 9.287 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 0.467 6.687 -1.263 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 -4.569 3.910 -1.216 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 -7.651 12.231 7.009 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 -4.080 -4.378 2.498 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 3.316 4.840 -3.725 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 3.986 -15.380 -24.121 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 -20.756 8.525 -6.914 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 2.175 -3.602 -0.395 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 -2.331 -1.565 9.344 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 -4.318 7.305 13.519 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 -1.507 -4.760 0.780 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 0.188 -5.442 0.530 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 -4.331 -3.321 4.887 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 -6.308 3.453 1.140 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 -4.530 8.918 6.232 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 -7.465 -4.964 -23.955 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 -5.970 0.909 -2.434 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 3.377 -3.061 17.074 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 2.989 13.133 -15.526 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 3.658 -2.188 -2.323 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 14.084 -10.260 -13.786 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 14.180 -7.003 -7.113 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 4.353 -4.236 4.705 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 2.615 -4.810 1.718 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 3.903 3.593 7.016 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 0.954 2.671 4.221 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 -4.530 23.514 -27.758 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 6.547 9.386 -0.237 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 3.539 0.692 2.935 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 -0.895 17.692 -6.331 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 2.119 -19.530 13.870 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 -2.806 4.587 -1.958 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 0.127 -0.674 -12.816 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 -0.693 2.485 -9.203 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 -7.571 -1.242 0.436 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 -9.256 11.789 -1.778 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 -20.498 10.689 4.290 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 4.393 1.411 3.190 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 1.610 -12.822 -13.812 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 -22.613 -3.591 27.007 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 -0.489 -3.515 -0.307 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 -7.040 -6.053 -0.300 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 19.521 1.497 -8.367 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 0.313 4.533 -3.288 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 -7.055 30.456 7.967 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 -1.463 16.498 1.874 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 5.862 -13.008 -4.675 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 -6.450 -7.426 9.437 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 -2.439 -10.283 3.981 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 -3.039 0.876 -0.926 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 -2.006 16.479 0.690 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 -5.307 -2.218 5.188 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 -1.441 0.661 5.546 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 25.088 2.386 14.569 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 0.357 0.415 11.136 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 -2.552 -1.964 5.574 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 -4.879 -5.785 -8.180 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 -4.908 3.692 4.308 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 2.021 2.133 -2.724 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 16.356 5.042 -23.218 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 -19.741 -4.976 -13.295 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 -0.180 1.874 -1.040 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 31.964 5.257 -24.605 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 -16.380 0.878 2.522 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 4.804 0.616 0.770 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 8.978 0.281 2.243 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 12.358 -0.656 -4.377 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 -1.681 4.407 3.835 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 5.448 4.843 -1.827 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 14.520 8.647 11.635 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 -2.400 3.580 -2.580 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 -1.481 10.720 -17.160 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 -10.436 5.967 18.543 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 4.221 -0.197 -2.497 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 7.968 -8.635 9.549 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 -3.432 19.054 -7.783 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 -1.901 2.119 0.401 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 -5.965 -0.679 -4.145 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 12.494 8.686 13.552 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 3.843 -1.083 -1.557 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 4.870 8.434 -9.756 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 6.970 2.971 -9.586 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 2.569 -5.228 -4.218 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 4.392 -11.864 -9.399 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 -0.862 24.551 -4.976 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 6.242 -0.793 3.742 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 4.089 11.539 22.734 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 5.342 -10.340 -13.644 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 2.373 -5.535 1.810 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 -3.391 -7.503 10.016 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 3.531 0.982 3.425 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 4.570 0.182 -0.614 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 -0.343 1.520 15.500 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 5.077 -16.243 -2.756 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 -5.283 -2.801 3.870 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 19.390 -13.822 -9.584 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 -3.395 14.560 2.751 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 3.396 1.361 -7.188 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 1.052 -3.569 33.480 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 4.075 2.344 2.008 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 11.423 -0.471 -0.712 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 10.316 -10.705 -1.455 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 1.495 7.090 -12.172 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 -2.404 -0.930 2.390 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 -6.420 4.376 4.749 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 19.715 1.554 -15.445 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 0.059 2.633 -0.959 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 -15.016 0.764 1.551 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 6.883 -11.317 3.129 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 3.987 -3.044 1.884 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 7.105 -22.452 -15.126 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 -13.964 2.315 4.338 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 -5.832 -6.341 5.762 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 -10.910 16.537 3.591 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 -23.962 -15.921 -13.481 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 3.114 -2.519 0.717 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 5.107 -6.602 -9.432 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 8.602 -12.128 3.248 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 2.122 4.231 -8.125 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 -16.324 -1.475 -2.006 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 4.477 -12.761 -6.364 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 -2.883 -1.997 -5.875 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 -29.941 -6.764 -0.327 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 9.733 -0.419 -9.303 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 -11.554 3.183 -2.475 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 0.700 2.139 -7.609 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 -1.320 9.455 -8.067 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 1.596 -0.928 0.256 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 -3.116 2.853 -0.756 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 -0.208 3.883 -4.568 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 -0.340 1.770 -0.350 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 -1.439 0.283 2.651 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 -2.181 13.965 -11.190 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 3.003 3.201 -7.847 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 -5.154 11.824 -6.276 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 -2.409 -2.137 -15.631 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 -6.169 -8.824 1.640 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 0.690 -2.859 7.483 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 22.519 1.633 -0.017 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 5.005 3.106 -3.278 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 3.094 6.971 -3.355 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 14.163 -8.027 11.747 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 -4.993 -9.255 0.368 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 -7.312 28.709 -21.409 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 -5.746 -3.008 -2.911 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 9.205 -1.237 1.001 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 12.578 -7.057 -2.018 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 0.056 25.724 16.030 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 -4.212 1.797 -1.976 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 -0.436 2.903 0.195 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 0.319 3.001 3.330 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 4.618 3.201 0.724 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 0.804 -8.576 12.756 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 1.826 7.078 0.036 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 0.548 4.060 -1.642 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 30.244 8.836 -2.386 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 -4.268 -5.817 -0.747 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 7.543 -8.333 2.785 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 -7.195 -10.259 24.256 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 10.605 -1.161 -6.507 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 3.375 -8.195 -6.603 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 -3.182 -15.343 1.633 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 8.544 -18.175 -14.427 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 1.322 2.246 0.610 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 -12.869 14.645 7.144 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 7.704 18.537 8.472 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 0.743 -2.142 -1.999 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 3.618 1.699 -7.998 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 -23.026 5.180 -20.027 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 5.272 -0.494 2.919 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 0.615 -6.323 -1.673 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 8.535 12.455 -0.828 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 -0.046 -3.219 3.831 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 2.174 5.967 -11.092 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 -10.638 15.807 -3.443 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 1.162 0.874 6.957 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 12.294 6.985 -0.515 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 -8.808 -5.933 19.482 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 -1.190 5.809 0.472 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 -9.724 -11.968 -26.310 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 -16.107 27.327 24.156 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 4.822 -3.683 -0.711 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 18.178 -5.489 1.286 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 14.707 -9.548 1.429 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 -1.965 0.936 -3.975 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 4.546 1.229 -1.230 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 -2.746 6.490 -4.079 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 -7.400 1.071 -4.124 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 -26.033 7.620 -18.247 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 46.202 -23.807 6.360 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 -2.052 -5.207 -3.309 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 11.838 1.491 2.614 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 -6.493 9.223 -8.372 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 0.261 -11.384 -7.894 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 5.921 -6.783 7.831 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 -3.277 2.396 -9.325 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 -1.316 -5.329 -0.112 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 3.693 10.068 -12.613 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 -5.848 -17.408 9.353 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 7.151 -2.133 2.501 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 9.946 -2.928 25.735 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 -11.212 15.789 -2.763 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 1.719 0.185 -1.631 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 3.093 -5.953 21.219 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 7.247 0.808 -18.387 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 -6.792 6.486 -2.704 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 -5.372 -1.955 -1.392 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 -6.699 -15.184 -33.551 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 4.957 -0.321 -6.584 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 8.582 -22.466 -9.586 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 10.105 5.731 -9.148 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 -0.828 -1.779 -0.183 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 -5.052 -1.427 -3.290 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 3.037 6.249 -6.708 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 2.441 3.870 1.099 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 -1.123 22.760 -2.597 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 -22.557 1.190 13.799 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 -6.735 -2.517 -3.850 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 0.321 9.534 12.761 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 8.366 11.621 7.692 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 1.498 0.745 0.171 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 11.256 4.216 0.502 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 6.475 7.541 -7.823 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 -0.061 -6.695 -0.226 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 8.151 -2.155 -9.405 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 0.054 -4.953 -0.901 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 2.424 -2.432 4.395 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 1.835 1.360 14.907 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 26.006 5.602 -1.473 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 -0.189 -3.384 -3.633 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 -5.509 -6.553 0.077 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 5.457 -4.653 1.809 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 4.908 8.664 -1.921 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 11.227 -0.021 14.764 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 -1.678 4.412 -9.539 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 0.281 2.492 -1.750 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 -4.019 25.765 18.774 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 -0.209 11.034 5.602 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 -2.369 -3.285 -2.808 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 -7.199 -7.438 -1.435 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 0.049 6.321 6.400 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 -0.070 1.306 -2.384 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 -16.977 20.519 9.310 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 -13.545 8.051 -7.902 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 -2.191 -1.459 5.602 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 -2.841 -0.454 6.069 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 1.240 -1.253 8.862 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 3.919 -6.342 -5.719 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 4.894 -2.385 1.523 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 -2.792 0.770 -5.267 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 -1.544 2.643 1.345 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 3.606 -3.808 -4.759 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 -0.904 6.594 7.408 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 3.777 -4.813 -0.450 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 -3.258 5.864 17.148 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 3.228 -15.920 17.059 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 -8.287 -1.366 -6.118 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 4.438 -1.173 -31.425 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 -12.266 1.275 3.175 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 -2.954 -0.268 3.160 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 -5.538 0.399 8.699 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 -4.674 0.361 13.629 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 5.777 -4.564 3.887 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 13.802 10.807 2.135 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 -7.417 -1.443 10.389 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 -0.791 4.832 2.521 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 0.264 -1.638 -16.423 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 3.430 -2.889 -3.472 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 3.145 -1.804 4.235 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 0.451 0.953 -4.574 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 -6.899 -9.328 4.341 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 -4.618 2.548 1.968 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 11.289 17.150 -6.470 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 -17.414 -0.559 -12.366 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 0.395 0.858 0.331 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 3.599 10.215 -15.907 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 -3.581 2.013 8.729 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 -12.232 -1.592 -8.162 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 -17.684 7.117 -11.789 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 -13.144 -10.815 25.836 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 8.542 7.524 -3.725 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 13.494 -10.386 11.213 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 -5.197 -9.889 20.349 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 -3.458 -0.171 0.356 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 -27.193 -18.970 -19.547 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 -2.957 7.982 13.034 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 -1.898 1.902 5.016 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 -3.872 -13.592 4.051 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 -1.271 -3.522 -8.628 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 -2.097 8.228 -1.881 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 -1.159 19.704 -15.106 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 -1.606 1.451 4.664 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 -1.059 3.852 5.380 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 23.145 -14.459 -4.683 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 -21.347 6.474 -10.379 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 -4.880 4.197 -1.333 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 1.525 29.573 9.182 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 -25.247 -13.364 -16.717 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 1.591 5.973 2.818 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 -1.972 -5.917 -2.411 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 18.558 -9.948 -19.562 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 -0.713 -1.859 4.183 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 -7.395 2.809 21.044 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 12.307 -23.324 -7.318 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 2.994 -2.154 -0.279 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 6.471 2.619 25.784 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 8.996 0.559 -2.003 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 3.713 3.058 -2.903 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 11.007 14.824 -8.109 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 9.350 -17.992 -5.091 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 -5.012 2.346 -0.883 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 -5.845 6.801 -5.636 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 -2.714 -10.250 12.082 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 4.158 1.765 -8.874 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 -16.144 11.974 -16.696 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 1.240 -0.456 -13.977 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 -1.858 -0.506 -2.114 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 -4.158 -7.561 -9.591 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 -1.682 -0.089 -2.755 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 2.438 -6.258 -3.411 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 5.508 2.944 14.961 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 5.487 22.492 -19.249 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 0.543 -4.733 3.209 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 -11.070 -13.188 5.644 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 10.821 -1.946 4.315 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 0.687 1.857 -5.952 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 1.609 2.493 -4.399 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 4.186 -0.401 -5.516 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 0.389 0.010 -1.610 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 -2.189 20.687 -6.850 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 7.493 -13.775 3.164 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 3.617 6.771 0.826 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 0.901 -0.981 -8.801 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 -4.954 -3.617 8.213 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 3.804 -2.949 3.846 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 3.379 -9.419 17.873 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 -20.121 -0.483 20.753 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 -4.043 -0.788 10.056 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 -7.023 -7.871 15.927 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 5.932 -2.574 8.979 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 4.420 3.016 1.608 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 20.499 -4.066 -19.970 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 -7.217 -20.877 -4.036 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 -5.085 -6.319 1.763 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 9.366 -5.706 5.101 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 -15.254 3.804 -1.628 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 0.266 -2.374 8.280 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 -7.016 10.600 -41.379 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 7.734 -30.547 -8.542 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 3.030 -1.555 -1.394 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 19.666 20.232 -12.478 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 9.089 0.570 2.712 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 -2.876 -2.360 0.937 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 -9.244 -5.272 -4.021 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 -0.695 -12.820 -7.005 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 -2.292 -3.573 3.627 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 13.096 21.100 4.627 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 19.801 -14.235 -9.710 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 4.444 -0.365 -8.616 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 -0.237 -2.449 -7.896 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 4.523 0.705 -4.656 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 -1.948 1.100 2.862 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 11.553 3.077 7.618 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 -9.841 3.101 -12.812 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 -0.894 2.028 -2.886 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 -0.083 -3.735 -23.969 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 10.366 8.601 -2.114 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 -1.943 5.741 0.598 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 16.920 -3.880 -10.204 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 -2.605 6.441 -0.223 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 -8.065 -3.024 1.691 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 5.967 -6.296 20.509 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 -4.432 15.174 -3.378 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 1.008 -1.758 0.240 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 -12.705 11.390 -8.966 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 -3.255 17.213 -7.152 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 -3.164 4.787 2.901 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 -20.709 -1.166 17.338 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 -1.840 4.885 5.294 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 3.512 -2.334 2.068 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 8.815 -4.972 -1.996 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 1.544 5.699 4.458 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 -2.862 2.972 0.611 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 8.637 7.223 11.040 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 -10.340 -17.343 -11.310 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 -5.544 2.901 -2.176 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 -7.549 0.844 -2.815 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 11.940 -1.500 -1.262 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 3.650 0.361 -2.051 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 -2.336 4.521 -2.036 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 -11.907 -6.219 -13.887 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 0.613 -1.220 -0.610 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 5.729 -17.867 10.047 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 27.499 -1.561 -9.618 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 -3.518 -0.017 5.469 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 -10.756 -14.255 1.303 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 -2.854 4.710 -7.065 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 0.584 7.390 0.002 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 5.876 0.511 19.062 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 2.696 3.997 6.991 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 -0.726 0.224 1.667 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 -9.882 5.805 8.819 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 -6.989 -23.515 -2.222 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 -4.813 4.734 3.216 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 6.364 -0.112 -1.701 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 8.138 17.203 4.990 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 5.122 0.161 1.189 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 -1.462 -6.270 0.078 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 -16.564 -21.328 -1.152 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 1.207 1.043 2.366 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 7.733 13.884 -0.885 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 19.202 -1.708 -0.756 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 -2.799 -2.010 -2.091 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 -23.766 18.223 -2.648 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 -15.808 -5.666 19.502 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 3.020 5.108 11.357 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 3.466 5.302 10.954 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 5.158 -3.476 9.082 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 -3.372 6.843 1.334 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 7.619 -3.615 5.944 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 19.621 -7.102 1.341 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 -2.125 -1.750 0.526 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 1.845 -8.637 16.570 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 -1.748 -11.862 18.192 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 -2.238 -3.870 0.012 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 2.529 -1.767 2.153 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 -4.095 0.877 -5.207 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 -1.719 -2.033 1.002 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 -17.753 9.484 -11.536 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 1.146 2.396 22.615 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 4.687 4.893 0.906 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 14.580 10.914 -19.521 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 3.998 4.827 6.431 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 7.020 -2.478 -10.704 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 12.297 0.300 5.512 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 13.593 -40.694 1.838 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 2.765 -4.691 0.945 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 2.491 9.113 1.887 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 8.119 -4.616 -3.014 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 2.110 3.451 -0.097 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 -3.648 -1.520 5.680 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 1.665 7.429 0.798 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 -0.530 0.483 -1.951 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 2.209 8.621 -8.962 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 5.406 21.509 -22.775 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 2.000 -8.227 0.515 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 0.943 -2.891 5.731 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 4.167 -6.650 -2.565 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 -3.625 -5.083 -2.550 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 -11.239 -9.467 -17.120 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 -5.705 0.118 15.736 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 2.333 -0.822 7.690 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 13.647 -8.944 14.925 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 -1.457 -10.070 1.807 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 2.815 -9.339 0.608 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 12.095 -12.113 7.562 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 -14.827 -8.535 6.315 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 -0.299 -0.807 3.833 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 3.842 14.269 14.819 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 5.152 -10.239 0.969 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 -3.455 9.073 -3.791 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 1.323 3.420 -13.680 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 8.689 11.704 -16.754 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 2.919 4.860 0.894 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 -1.352 1.615 34.605 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 4.141 7.310 -3.557 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 4.986 -2.781 1.754 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 13.611 6.873 3.950 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 -4.498 -11.855 -25.658 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 -0.086 -5.580 -9.104 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 3.930 -4.825 -5.678 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 -7.460 -3.791 -13.925 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 -0.205 0.169 2.160 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 1.986 5.190 5.520 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 11.970 5.733 0.915 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 1.654 -0.630 6.619 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 15.011 19.833 -23.867 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 3.735 -1.523 25.374 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 4.632 -3.240 -2.188 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 16.657 24.188 18.298 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 3.807 -3.225 10.296 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 -0.724 1.413 0.753 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 -1.019 -2.062 5.848 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 4.304 -9.303 15.234 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 -3.002 5.580 2.719 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 -22.838 -0.191 0.375 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 -4.363 2.854 11.595 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 -2.642 0.770 -4.834 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 14.307 17.445 -8.011 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 0.010 -13.923 -22.189 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 -0.003 1.625 1.171 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 -1.395 -2.734 7.666 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 16.307 -25.916 -4.778 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 0.634 -7.547 2.408 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 1.433 -23.447 5.051 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 -0.679 5.036 5.646 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 -0.255 2.619 3.514 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 -0.474 15.543 -14.137 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 -1.017 3.031 8.876 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 0.465 2.070 0.667 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 4.772 34.211 -3.320 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 -2.493 -16.413 -2.103 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 -8.748 -0.211 -1.029 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 0.551 8.658 5.498 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 -5.109 19.272 -4.201 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 3.786 -0.673 1.894 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 8.358 -4.660 -16.864 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 -14.292 -10.584 0.273 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 6.599 -6.617 -5.751 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 5.017 -24.476 5.887 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 4.835 -15.687 -6.339 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 6.977 4.746 0.044 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 3.995 -20.578 10.188 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 7.014 -0.960 1.462 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 -5.836 0.264 -0.480 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 -7.610 -15.136 -10.467 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 -2.427 -5.891 12.084 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 1.712 1.609 -1.101 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 0.225 -10.222 -6.875 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 11.243 6.120 3.823 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 6.493 -4.583 3.744 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 -3.903 -17.990 -16.072 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 16.232 16.685 27.414 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 2.966 -9.209 -2.705 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 -24.442 -21.773 -7.334 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 5.716 -24.705 -16.455 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 1.804 1.718 -1.885 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 16.958 -6.504 -22.764 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 -9.136 3.708 7.390 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 0.113 6.073 4.902 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 18.670 -20.021 -6.337 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 -15.989 31.612 -1.562 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 0.805 2.237 0.022 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 -10.657 -0.539 8.891 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 -3.971 -4.901 -12.216 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 5.199 -3.956 1.682 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 12.720 -6.021 -4.503 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 18.600 -0.200 9.026 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 -3.604 5.597 -6.462 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 -1.611 3.363 -13.423 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 -4.486 12.752 -6.445 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 -0.235 2.679 2.871 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 5.422 6.970 3.020 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 23.503 13.226 22.305 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 -3.476 8.146 -8.006 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 -0.146 13.401 -19.703 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 -4.650 8.656 10.772 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 -3.291 3.685 -2.790 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 2.510 6.573 -5.481 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 -7.335 -4.704 4.905 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 -3.308 -5.610 -6.492 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 -28.047 -26.708 4.305 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 3.865 -12.510 -13.431 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 2.538 -5.203 2.481 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 30.145 -30.016 19.720 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 -27.381 -3.490 4.622 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 2.394 -0.482 -4.839 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 0.556 3.418 -2.758 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 3.823 -0.001 -7.934 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 -3.689 1.962 1.658 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 -15.488 12.202 1.079 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 -29.617 16.716 -6.278 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 0.145 4.430 -3.951 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 -32.614 -30.470 -23.797 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 1.960 4.811 -2.999 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 -2.188 -4.331 -2.979 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 -1.445 -3.308 3.146 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 -39.257 -6.635 31.979 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 7.716 3.423 2.916 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 2.452 5.283 -16.603 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 18.296 -0.468 15.580 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 -3.252 -6.116 -2.148 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 5.132 8.577 -7.474 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 -10.847 -10.124 -4.371 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 -2.163 2.617 5.286 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 10.676 -6.212 28.316 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 -8.141 12.380 -3.441 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 -1.824 -2.748 6.999 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 9.789 5.792 19.471 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 -8.607 8.511 -3.142 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 -0.280 -3.764 3.039 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 2.059 -4.200 4.042 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 -26.770 -8.239 -21.705 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 -0.584 6.173 -2.814 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 15.583 21.527 -20.456 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 18.322 -7.335 13.678 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 -1.564 5.795 -1.016 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 -4.168 -4.075 -3.235 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 3.523 -4.345 -7.746 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 -7.002 -2.763 -3.697 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 4.429 5.954 -14.110 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 -4.700 1.281 6.230 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 -5.409 -2.204 -0.675 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 -0.157 -11.606 10.084 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 -11.171 -18.593 -8.165 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 4.797 -1.981 -1.195 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 -2.618 1.584 -14.066 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 -14.397 -12.119 -5.262 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 3.979 3.958 6.255 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 12.309 13.799 10.035 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 -1.787 0.230 13.362 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 -1.029 -2.381 1.805 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 10.311 -7.837 16.390 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 -5.951 -8.187 12.420 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 -5.026 3.967 0.104 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 -11.562 -1.431 -3.430 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 17.179 -2.024 -6.348 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 0.880 2.240 4.101 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 -9.232 -8.121 -2.776 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 -0.968 0.080 2.517 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 3.432 -1.717 3.194 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 1.589 2.805 -3.921 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 -18.594 -3.965 4.071 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 2.516 -0.224 2.303 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 -5.666 1.356 -6.022 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 -5.516 10.208 11.874 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 4.643 -3.172 -5.549 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 -2.524 -6.677 -25.394 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 10.811 7.893 -17.349 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 -3.015 1.218 -2.559 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 6.659 13.195 6.421 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 -1.776 3.408 0.716 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 -0.132 3.389 -2.867 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 3.531 24.969 -18.941 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 -1.252 -4.431 40.590 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 0.777 -0.683 1.887 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 -1.446 -3.798 -4.407 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 -1.061 0.695 -2.277 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 5.562 5.459 -2.202 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 5.083 0.597 -8.732 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 7.416 -0.403 -7.752 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 -5.093 -2.379 -0.028 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 3.879 4.995 -25.530 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 9.658 -0.172 -28.136 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 -2.515 -2.618 6.333 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 -0.374 -12.701 -4.635 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 3.471 -1.577 6.753 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 -5.511 5.153 3.309 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 -7.029 -6.775 -12.620 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 1.284 -6.458 16.811 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 -4.100 1.888 -0.255 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 6.149 -9.231 -3.127 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 -24.903 13.267 -10.336 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 -2.139 6.778 4.967 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 5.452 -9.565 -11.125 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 -20.755 -16.651 8.794 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 1.661 -2.437 -0.557 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 2.900 3.619 12.611 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 -3.046 15.329 -9.644 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 -2.797 0.216 -2.421 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 4.956 -1.495 18.551 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 -1.097 1.670 -4.915 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 -2.805 7.406 0.818 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 -0.260 2.383 -4.268 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 -1.117 -0.560 -13.464 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 -1.473 2.345 6.041 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 -11.490 -3.614 0.662 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 11.944 2.548 1.865 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 1.467 -1.431 4.688 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 5.049 3.203 12.690 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 -8.084 0.239 -6.030 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 2.983 6.174 -0.990 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 -10.710 0.110 -2.859 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 -3.781 5.503 -6.442 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 5.585 -2.389 -2.722 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 6.220 7.345 7.670 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 -13.717 -4.391 3.299 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 -0.291 -1.075 -5.275 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 13.749 -18.178 7.853 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 3.154 7.656 -13.126 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 1.286 -3.930 0.405 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 -18.986 10.285 7.310 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 28.712 -24.984 -8.080 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 0.762 2.522 3.448 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 -11.667 1.403 6.638 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 19.532 3.460 -8.965 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 -1.290 -4.706 -3.762 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 27.321 9.561 11.715 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 -9.375 5.897 22.114 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 -3.162 1.555 0.766 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 3.250 -15.893 12.072 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 -7.268 8.131 -11.678 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 0.350 4.477 4.614 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 5.819 18.271 3.647 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 -1.614 39.250 5.985 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 1.329 3.861 -6.670 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 -13.564 0.479 -6.147 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 3.154 11.842 4.711 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 1.716 2.272 -1.753 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 1.123 -14.762 3.420 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 1.185 13.295 -5.333 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 1.235 2.619 -3.575 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 3.157 -4.342 -6.806 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 6.530 -2.232 -7.241 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 7.234 1.301 4.055 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 6.176 11.239 3.005 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 12.264 -7.807 -3.483 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 -0.558 2.057 -2.912 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 -5.825 -2.135 7.710 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 11.682 27.794 -28.679 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 1.614 -4.542 4.224 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 8.444 6.560 5.337 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 -2.501 11.335 7.727 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 7.250 -3.879 1.734 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 10.093 -12.953 1.587 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 15.430 -9.730 -2.007 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 2.626 4.947 3.573 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 7.503 -0.926 1.752 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 -0.628 8.834 -12.602 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 2.360 3.165 -5.471 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 0.881 -2.540 0.831 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 0.016 0.193 -12.001 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 2.762 2.786 -3.857 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 -11.210 -8.004 9.814 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 -11.235 16.505 -10.341 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 0.728 -1.611 2.614 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 4.921 -2.715 -18.202 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 15.698 -10.632 11.350 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 -8.212 2.929 -3.964 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 4.924 -0.606 -7.373 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 -6.700 9.101 -0.534 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 2.817 -1.848 0.667 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 2.290 -2.619 17.357 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 -31.292 5.140 10.176 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 -1.730 -7.061 -6.601 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 -9.849 -3.288 -4.727 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 11.931 -2.326 -11.425 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 -3.706 -2.382 1.214 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 0.860 4.496 10.323 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 -9.479 -2.299 12.173 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 -0.457 2.535 -5.874 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 -9.409 8.866 -10.700 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 -2.269 0.651 -9.445 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 1.757 2.252 -4.575 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 -4.125 0.973 1.306 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 -0.091 -7.215 10.945 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 -6.726 2.423 -1.786 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 -14.410 -9.679 -1.349 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 2.017 0.641 11.076 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 6.119 -1.558 -4.631 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 26.807 -10.895 27.936 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 -21.793 3.065 9.777 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 -0.134 0.815 6.015 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 13.508 5.652 -8.481 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 8.727 -17.687 6.867 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 -1.005 -8.942 1.985 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 16.891 -28.492 -6.791 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 7.698 -7.566 -6.301 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 -3.991 -1.364 -2.119 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 0.309 9.443 -6.415 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 -1.053 -21.915 13.209 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 6.716 -5.442 7.471 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 7.956 -18.731 -10.199 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 -7.858 6.299 1.770 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 3.516 9.662 -0.644 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 -12.876 20.429 -2.571 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 -1.793 -4.956 12.020 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 0.456 -0.552 -1.617 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 -1.825 3.606 -2.463 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 -7.614 22.496 -2.080 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 -4.967 3.884 6.846 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 1.605 16.276 -14.588 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 -15.628 -20.923 5.542 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 0.912 1.246 2.217 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 -0.805 -0.694 0.554 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 -3.338 3.416 -1.566 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 3.630 2.892 -3.129 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 -7.366 2.543 -4.728 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 -4.583 1.727 -8.299 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 -2.505 -1.757 -3.401 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 -5.421 -4.279 -3.810 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 -2.074 -2.389 -3.393 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 6.224 3.551 -2.050 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 -7.346 11.352 -19.666 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 -6.447 17.614 -13.487 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 -7.353 5.502 -1.256 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 -27.825 -5.305 -3.061 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 -20.110 -2.462 -0.463 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 -8.412 0.074 -8.629 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 -6.366 -18.332 -13.029 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 -1.520 20.806 6.777 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 -0.766 1.914 -2.307 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 3.968 -13.893 1.908 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 15.407 -4.813 6.127 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 6.837 -0.899 -4.845 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 2.398 -2.704 2.540 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 3.461 -8.853 0.528 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 6.241 -2.387 4.676 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 -3.567 -10.681 5.756 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 12.833 -12.516 -14.260 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 -0.797 -1.440 -1.375 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 14.518 0.743 -12.232 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 -8.038 6.758 -23.354 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 5.353 -2.442 -0.494 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 -1.568 -25.727 2.800 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 5.231 -0.404 -23.457 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 -8.500 5.555 -0.362 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 1.601 10.335 2.216 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 -7.569 -21.824 -21.967 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 -1.588 1.569 2.800 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 6.883 2.479 -2.735 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 -6.143 -15.136 10.017 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 -3.367 2.914 4.428 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 -31.197 22.625 -10.590 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 -18.414 -25.057 20.785 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 7.913 -2.308 4.159 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 -1.777 -11.817 4.267 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 5.153 -0.546 -8.396 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 -0.082 2.130 -2.235 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 -2.271 0.541 -6.681 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 -3.346 6.738 -6.253 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 2.112 -5.405 7.451 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 4.911 -4.957 13.953 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 -2.536 5.345 1.684 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 3.167 4.764 -0.763 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 -2.353 5.933 2.253 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 2.706 -7.665 0.886 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 0.803 -0.073 4.501 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 8.419 -14.366 9.295 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 -4.435 7.817 0.700 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 -8.377 5.441 7.307 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 -12.211 9.995 6.353 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 -16.499 1.230 -6.844 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 -2.984 -1.660 -2.516 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 4.123 -15.001 -11.020 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 -0.730 -6.801 -1.079 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 -1.776 0.395 0.088 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 -11.912 -5.271 3.197 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 6.690 -0.532 4.808 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 -7.014 -2.627 -1.630 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 -19.349 1.219 15.825 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 -3.349 -5.854 -6.250 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 3.571 5.492 2.755 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 3.921 -8.021 5.781 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 10.099 25.564 -6.738 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 -2.079 1.455 -4.206 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 -3.268 0.919 -9.977 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 3.784 -0.468 11.680 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 9.791 -5.819 0.402 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 10.388 -32.341 -14.451 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 -6.616 -11.366 5.542 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 1.411 -0.057 2.363 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 -7.415 -0.381 3.922 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 -0.099 -11.225 -8.496 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 -3.710 4.129 -2.515 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 -17.466 5.076 11.476 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 -9.192 -3.437 16.775 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 4.532 -3.507 -0.405 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 -4.942 -1.487 10.250 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 -3.525 4.403 12.105 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 1.757 2.047 5.084 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 -8.712 -19.319 17.923 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 3.927 10.113 -3.840 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 -3.515 2.580 -2.224 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 -6.904 31.337 0.105 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 -1.890 6.150 3.626 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 -0.714 1.581 4.000 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 -3.642 16.919 2.239 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 8.242 -5.732 1.557 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 -4.022 0.809 -3.716 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 -21.666 -5.216 -3.157 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 12.536 9.323 0.779 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 3.957 -1.703 -1.521 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 -2.259 -15.102 8.044 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 14.908 22.698 -12.789 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 -0.622 3.377 2.814 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 -16.764 7.368 -18.541 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 14.180 -6.713 20.402 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 1.096 3.023 6.828 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 1.059 10.131 7.546 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 5.226 -11.783 4.648 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 4.656 -5.072 1.489 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 -1.863 -15.080 8.575 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 3.906 -6.748 -3.651 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 -0.169 0.672 -5.898 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 -15.281 -10.406 -6.530 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 3.706 0.800 9.678 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 -0.297 -3.177 -5.548 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 5.033 -3.551 -9.601 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 -20.372 18.792 1.016 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 -6.680 2.670 -5.283 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 -8.112 4.639 -20.523 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 -8.721 -0.179 -17.221 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 -2.444 2.169 1.638 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 -9.909 5.424 7.459 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 -3.044 8.597 -6.565 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 -0.932 -0.396 0.566 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 -2.156 -5.241 -0.648 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 17.742 -29.701 5.713 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 -1.064 -1.482 -4.290 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 -11.221 -9.619 -16.554 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 2.378 0.780 -0.575 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 1.650 5.159 3.386 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 -8.112 -4.041 0.823 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 -0.067 33.827 4.639 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 -1.517 -3.089 3.475 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 6.619 -5.100 -4.406 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 -7.326 -8.912 6.871 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 3.268 0.524 -0.427 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 -1.177 -1.599 6.813 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 -4.277 -4.927 -3.835 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 3.179 1.614 4.338 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 -11.222 16.776 11.498 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 -23.576 -17.506 9.592 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 2.300 -1.871 -4.269 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 7.248 -0.452 -1.871 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 1.573 1.630 -6.530 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 1.648 2.950 0.266 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 8.295 0.817 -7.413 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 2.448 14.191 -11.701 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 -1.282 1.219 -3.364 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 -23.787 3.143 -6.507 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 6.450 -22.514 -18.939 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 -2.393 -3.323 -9.367 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 -6.387 13.725 13.673 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 4.925 9.484 10.650 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 3.626 -1.323 -3.778 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 -0.752 0.740 2.874 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 -21.180 32.872 -40.259 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 -4.650 -1.347 -3.338 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 11.667 -7.607 -11.789 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 -8.661 0.534 -0.947 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 -2.495 4.063 4.320 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 6.372 6.718 11.024 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 -9.329 -2.171 12.236 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 -2.262 -4.994 1.757 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 -5.294 -0.378 1.873 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 -3.130 -4.376 1.285 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 1.622 4.849 0.032 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 -5.366 7.686 -15.059 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 11.798 18.189 -0.215 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 4.626 -7.948 -1.502 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 -15.602 -9.082 11.284 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 -2.550 13.379 1.876 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 10.192 1.304 -4.956 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 8.892 11.203 -11.538 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 13.066 -12.575 7.329 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 1.225 3.610 3.076 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 -0.770 -3.866 -1.665 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 -3.976 -1.986 8.659 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 3.514 -3.864 5.029 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 3.447 -8.591 16.045 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 9.345 6.517 9.633 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 0.159 -6.243 2.511 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 1.104 -5.074 11.545 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 -9.251 -3.242 -12.963 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 -2.889 5.120 3.057 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 -11.953 9.343 10.172 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 3.022 -2.873 9.280 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 0.443 -1.628 4.753 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 -18.683 12.603 -13.232 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 -10.880 28.646 -23.446 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 1.739 1.845 -2.569 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 -3.852 0.599 -1.256 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 -1.360 3.092 3.429 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 -0.725 -0.301 -3.906 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 -10.714 -6.574 -14.301 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 6.628 1.546 2.052 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 6.515 -3.711 8.391 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 3.530 -5.169 -6.844 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 -4.573 1.143 13.287 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 -2.715 0.314 4.692 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 24.003 -17.654 -19.460 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 5.419 4.495 11.432 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 0.609 5.984 -4.712 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 -18.427 -13.045 -14.715 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 -13.295 -20.093 24.018 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 -0.449 -5.929 -9.547 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 -11.126 -2.897 -18.071 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 -0.962 -18.037 4.821 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 -8.899 0.146 4.524 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 -0.177 -17.208 14.143 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 -16.478 -0.558 20.939 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 0.228 -2.078 0.011 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 22.726 -23.239 7.654 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 -3.158 -13.597 6.857 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 -2.060 -0.057 0.678 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 13.769 9.448 -0.151 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 0.030 -14.497 -26.370 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 7.762 2.663 -1.106 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 24.887 14.109 -8.434 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 -19.484 -0.736 1.663 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 7.246 -3.900 -1.906 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 37.951 29.713 -2.342 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 7.770 0.237 -5.130 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 -0.287 -2.292 -0.785 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 -13.168 -8.368 14.357 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 2.740 12.469 5.080 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 -2.770 4.266 2.518 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 -24.718 -11.356 -17.240 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 1.774 22.600 11.560 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 0.805 -5.204 5.614 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 5.027 19.249 -19.930 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 16.069 -16.494 10.160 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 1.657 -2.229 5.461 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 -11.273 -1.735 -6.298 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 -11.126 9.103 10.823 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 1.162 -5.693 -1.400 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 17.592 -11.761 5.747 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 -4.227 -8.431 -6.217 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 1.874 7.783 4.120 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 -2.691 2.331 7.594 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 0.672 10.119 -1.463 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 -0.437 -1.830 0.323 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 -5.050 -1.035 -17.024 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 -7.875 4.687 6.161 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 6.079 -4.612 -2.163 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 1.221 -8.712 2.438 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 12.072 -2.599 -16.365 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 -1.578 -8.255 7.060 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 11.221 -14.603 0.364 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 -5.790 -1.849 -4.024 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 2.679 3.377 -5.387 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 -8.544 -17.055 1.066 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 4.874 -16.959 -10.864 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 -2.203 -2.511 1.350 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 -11.024 10.218 11.543 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 16.852 -1.822 3.045 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 1.446 -6.595 -1.511 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 -3.889 -12.677 -0.037 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 -3.526 0.087 -2.929 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 2.290 -0.583 0.396 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 25.750 -4.642 16.910 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 -2.049 11.669 -18.394 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 -2.487 0.521 0.944 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 -3.576 -11.373 -2.969 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 -10.778 -13.517 10.765 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 5.477 -3.532 -7.485 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 14.684 -9.697 -7.802 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 -37.666 -32.615 -5.256 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 0.269 2.714 -4.478 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 -26.837 -12.794 -8.703 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 -16.835 -6.741 -7.996 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 1.782 2.106 7.787 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 -7.338 -3.253 28.726 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 -11.103 -12.456 13.281 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 2.388 1.957 1.882 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 3.917 7.724 5.545 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 6.376 6.167 3.571 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 -7.302 6.611 5.072 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 9.112 1.784 3.119 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 3.885 38.422 -1.327 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 1.642 1.366 0.725 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 -8.818 -18.235 -25.250 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 6.236 10.502 14.100 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 -0.925 1.731 4.333 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 0.790 3.280 -6.930 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 -6.707 -3.680 -2.719 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 4.182 1.836 -3.939 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 5.260 10.546 -14.627 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 0.159 -11.118 -8.243 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 3.537 -5.424 -0.402 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 16.977 -7.287 2.369 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 3.551 4.224 -1.213 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 -1.427 -4.633 1.116 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 -3.984 2.098 15.871 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 -8.655 3.397 -6.877 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 0.772 5.623 -4.423 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 -7.502 2.678 -6.879 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 6.702 0.625 -0.607 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 1.504 2.141 -4.341 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 -14.870 -10.991 -28.119 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 -0.664 15.459 -6.479 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 6.346 4.019 0.833 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 12.660 1.085 3.573 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 8.113 23.050 17.238 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 -2.445 -5.486 -4.399 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 -7.060 -18.148 -4.621 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 -3.142 -6.478 -3.808 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 -1.579 -0.833 3.191 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 -2.913 10.405 -8.543 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 14.087 -20.875 -4.661 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 -6.215 -4.581 6.357 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 -18.573 -33.383 -16.188 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 -18.336 -0.628 -8.041 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 2.744 -2.036 -0.466 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 -4.756 -3.540 -2.513 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 -9.803 -11.524 9.870 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 3.312 6.931 3.351 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 2.279 5.265 2.994 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 -2.730 -3.194 0.680 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 0.430 0.713 4.604 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 12.155 2.369 34.496 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 -6.602 -7.956 -1.273 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 3.010 6.428 -7.853 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 1.949 -16.479 11.060 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 6.345 -10.577 6.990 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 3.890 -5.283 -2.544 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 29.176 -12.631 -8.075 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 -7.830 -13.731 -5.567 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 -0.522 -1.995 -9.371 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 2.547 -11.669 -22.794 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 -3.216 -4.448 -15.644 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 6.082 -2.671 0.428 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 27.304 -5.637 11.230 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 6.283 24.129 0.658 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 -2.754 4.025 0.819 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 10.181 14.460 11.840 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 6.841 -28.932 -22.114 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 -8.616 -1.183 -2.160 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 4.460 3.973 -4.343 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 -8.254 -11.287 -5.804 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 -4.981 -0.910 -0.143 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 -2.670 13.212 2.301 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 -10.212 -17.291 9.211 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 -3.466 -2.455 -1.330 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 4.410 8.159 -16.325 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 -6.506 -0.921 11.023 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 0.266 -1.182 4.917 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 -1.982 0.163 23.290 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 -14.487 0.639 0.931 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 -1.455 -3.524 0.829 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 -3.704 -6.499 5.275 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 -23.247 24.051 -21.958 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 -2.385 8.047 1.753 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 -4.723 13.827 7.588 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 14.999 6.754 -17.881 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 -1.675 0.784 -1.549 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 12.242 -1.030 0.045 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 -0.926 0.343 -2.165 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 -0.964 -1.131 6.082 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 -14.828 -4.038 37.799 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 -0.805 -2.597 -7.784 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 5.397 -0.139 3.543 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 20.177 13.967 9.556 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 8.806 14.930 -31.455 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 -3.150 -6.061 -0.983 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 9.952 11.791 21.214 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 9.943 11.095 21.440 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 -9.035 1.136 2.918 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 -18.529 6.242 -6.070 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 11.485 -13.616 14.884 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 1.626 -3.637 -3.408 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 -2.765 -18.493 5.275 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 -2.245 3.190 1.709 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 1.805 -1.024 -0.959 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 39.470 13.140 7.220 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 7.120 0.519 0.229 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 -7.086 -2.493 1.008 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 -5.540 4.660 -19.986 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 -13.601 1.660 4.257 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 0.965 -2.198 0.085 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 -38.089 8.205 14.154 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 7.263 -1.173 14.176 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 -6.597 -5.046 -0.494 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 -26.692 9.550 -24.049 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 4.310 1.789 -4.541 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 0.248 -5.449 4.513 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 4.439 -0.940 3.283 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 0.966 2.017 10.446 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 -6.916 2.556 -0.138 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 -10.037 7.609 15.627 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 -10.705 -1.161 -9.642 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 0.386 -0.945 9.137 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 -5.949 -12.023 -12.406 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 28.037 -2.379 11.279 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 4.456 -4.422 -3.803 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 14.098 3.043 -11.998 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 -18.054 -4.510 -6.190 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 -1.484 -1.645 -0.415 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 9.706 -8.852 -1.329 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 -1.479 0.244 -8.730 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 7.000 -1.609 1.854 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 5.536 1.719 0.173 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 4.011 0.964 0.468 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 -1.304 -0.060 -0.562 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 14.007 -17.225 -5.819 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 5.961 18.221 -19.125 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 5.948 -0.643 3.491 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 10.883 4.355 3.957 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 7.927 -1.033 4.565 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 2.065 -3.331 -5.313 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 4.960 -18.714 1.295 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 10.150 18.517 -15.382 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 3.895 0.769 3.740 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 6.802 18.496 -7.597 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 5.661 3.700 28.872 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 1.326 -4.486 2.542 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 -0.510 7.461 -6.042 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 -13.663 -10.609 -13.094 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 -2.236 -1.838 -1.006 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 12.412 -16.519 20.999 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 -7.066 3.183 -8.097 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 -0.362 0.311 -5.259 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 -4.624 3.074 -4.117 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 -15.275 -4.564 -4.859 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 -4.977 -1.400 -3.909 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 -14.937 4.700 -20.973 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 -17.155 10.293 3.696 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 2.009 5.285 0.907 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 25.179 -34.239 -6.743 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 -12.819 -10.093 3.229 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 6.527 -4.811 6.454 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 -14.589 6.032 4.518 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 -0.145 -2.053 5.798 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 -5.436 -0.189 1.125 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 -2.438 9.855 3.955 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 3.177 14.372 1.165 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 0.101 1.094 0.836 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 -6.323 15.935 -19.462 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 12.029 -4.830 -2.845 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 -7.007 0.746 -3.148 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 -9.290 -18.955 4.943 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 -5.055 16.597 0.314 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 -2.885 6.980 6.602 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 -8.612 17.007 7.324 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 -8.900 17.173 7.147 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 -6.825 -3.320 1.156 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 15.703 7.248 2.635 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 -8.551 -16.231 -4.058 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 0.229 -0.874 -0.476 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 1.040 10.787 8.195 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 18.431 -0.308 -7.308 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 -0.339 -5.113 4.925 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 0.378 11.127 -14.528 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 -20.131 -19.742 -0.260 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 4.729 1.232 -3.060 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 -25.442 -10.285 10.070 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 -4.637 -7.641 25.148 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 -4.038 7.528 4.426 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 -19.739 11.355 2.312 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 5.952 8.444 -13.839 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 2.233 -1.642 -0.843 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 -9.830 -6.245 4.631 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 -9.367 7.820 -2.138 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 -6.427 -0.468 0.322 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 -2.917 -0.492 -1.495 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 -6.009 2.456 -1.166 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 -3.067 1.923 4.697 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 -4.069 0.376 4.851 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 -11.379 1.455 -2.179 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 5.096 -3.215 7.013 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 22.707 -6.141 8.013 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 -17.594 4.282 -27.448 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 1.680 11.252 0.602 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 2.508 -9.098 5.409 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 -4.836 -2.123 6.640 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 -3.215 1.499 1.634 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 11.616 -6.550 6.078 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 16.359 -30.027 -5.689 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 -4.915 -4.800 2.157 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 4.103 4.639 8.284 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 -2.195 -2.990 5.018 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 -0.404 7.757 -1.557 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 -7.036 -0.738 -0.567 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 -6.273 4.753 0.484 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 -0.949 1.520 -3.112 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 -8.420 21.913 -7.837 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 4.106 -11.053 -0.428 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 -3.303 -7.963 -0.917 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 11.724 -27.640 -9.560 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 -12.081 -22.258 17.567 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 -2.547 1.865 0.796 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 24.683 -7.583 -5.208 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 -7.112 3.040 1.471 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 3.505 4.017 -4.230 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 5.754 -13.088 -7.810 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 4.547 8.898 5.646 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 -2.407 -0.062 7.241 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 12.143 6.976 9.452 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 29.976 24.658 -14.498 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 4.719 -1.953 -2.418 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 -4.067 -6.903 -12.907 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 -1.896 -5.012 -11.362 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 4.067 3.198 -0.828 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 14.726 5.640 10.857 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 -9.063 -6.103 -4.328 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 1.159 3.083 4.443 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 6.756 -10.773 -16.384 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 -13.057 -1.672 20.557 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 -2.457 1.826 -2.917 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 -8.914 11.190 10.366 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 9.560 -6.068 -22.064 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 -5.683 -5.138 -5.612 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 -8.097 6.346 -10.327 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 -1.007 -2.568 14.431 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 3.706 3.898 -6.566 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 12.514 -11.076 0.810 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 1.983 -15.920 -14.265 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 4.664 -1.772 -4.565 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 -3.129 -9.177 2.796 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 -3.630 -9.561 3.429 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 5.532 -7.322 -1.472 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 4.585 -10.993 -2.669 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 -0.535 -1.082 5.096 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 0.895 -1.303 -0.762 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 -2.028 -13.918 -15.709 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 8.283 -5.934 -10.324 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 -1.682 -2.051 -2.955 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 4.058 4.941 -1.290 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 -3.272 -4.239 -3.341 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 3.953 -3.956 -1.166 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 10.322 -15.656 -22.641 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 14.728 24.620 -6.667 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 -2.663 -0.068 0.479 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 1.446 0.786 6.077 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 -6.526 -12.494 -5.914 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 -6.635 2.525 3.140 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 -13.010 8.742 -9.434 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 -5.639 -12.258 16.654 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 -2.258 0.614 -1.499 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 -20.144 -15.958 -9.209 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 2.714 4.733 3.209 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 1.423 -3.147 2.348 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 -10.100 -6.566 3.737 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 12.675 3.386 1.138 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 -3.778 -0.594 -0.855 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 -7.323 -0.386 -2.755 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 -13.148 -17.068 14.703 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 -5.176 1.653 2.541 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 8.676 18.951 11.557 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 -3.740 -1.221 -0.957 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 -1.803 -1.861 5.747 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 -0.973 8.246 2.806 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 -19.580 4.820 1.508 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 3.674 -2.024 6.233 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 19.350 5.708 2.590 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 20.389 18.164 5.899 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 0.668 -4.158 -1.180 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 8.845 -10.094 -3.072 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 -1.903 -4.614 5.133 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 -4.477 0.837 1.430 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 0.977 15.176 15.015 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 -9.107 -13.665 -6.460 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 -3.348 3.545 0.801 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 -1.983 8.292 -0.255 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 -17.775 5.947 -10.634 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 -2.285 -0.853 2.354 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 -11.701 -9.396 5.495 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 -0.144 -14.806 15.710 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 -4.428 3.598 6.066 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 1.510 2.234 6.398 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 7.661 1.477 -24.588 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 1.524 -0.562 -0.757 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 2.195 -1.160 -0.632 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 -10.193 1.395 11.381 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 7.374 2.666 -5.174 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 -12.883 15.404 0.029 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 21.111 6.274 -1.717 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 -4.798 -9.096 -0.130 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 21.515 -12.836 4.403 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 -7.673 -10.725 -7.037 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 4.484 -2.030 4.181 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 -18.311 16.789 -6.621 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 9.510 -6.159 7.104 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 -0.246 6.881 1.127 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 1.161 -7.451 -0.401 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 1.763 2.235 4.339 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 -0.747 -2.509 -8.681 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 -6.834 25.109 5.250 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 -1.571 -2.561 -23.707 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 2.523 0.280 -3.229 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 23.347 8.288 1.860 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 -18.867 -3.819 -5.478 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 -0.500 1.780 -6.676 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 6.773 -6.945 9.750 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 9.386 -13.662 -2.559 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 -0.778 6.158 -0.075 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 4.374 -6.583 -10.282 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 10.533 27.828 4.674 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 6.350 -2.868 -2.910 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 14.790 9.175 12.994 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 0.758 16.425 2.225 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 -4.533 0.296 -4.615 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 19.299 25.620 5.135 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 -11.511 -9.931 -3.568 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 -2.709 4.275 3.581 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 -3.538 5.114 18.298 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 7.303 -11.320 -2.234 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 3.389 3.138 -2.255 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 -8.307 5.170 -7.271 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 -0.142 11.868 18.742 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 -2.739 -2.725 -0.765 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 -0.016 -9.397 -0.813 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 -12.213 10.000 -1.816 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 -3.714 7.053 0.929 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 14.276 3.925 7.604 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 -6.139 -5.301 -12.886 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 4.659 0.901 1.308 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 12.274 -3.171 0.671 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 4.648 3.495 9.148 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 0.376 1.238 -0.656 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 4.798 9.994 14.745 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 5.105 -16.014 5.641 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 6.310 -2.010 -5.646 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 -0.245 18.352 -9.355 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 6.551 1.037 6.281 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 1.533 4.134 3.976 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 2.930 4.606 2.120 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 0.342 -1.463 1.430 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 1.135 4.274 -2.462 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 -9.847 -8.789 2.486 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 2.394 8.391 -25.584 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 1.527 -0.490 -0.286 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 10.440 6.158 -1.472 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 -8.545 5.452 -0.864 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 2.562 -3.762 5.947 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 -4.306 2.230 -2.248 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 2.076 -3.638 3.179 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 6.912 3.119 9.805 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 13.831 -5.560 1.012 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 8.593 -1.641 -4.113 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 -2.259 -1.277 -3.230 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 13.169 6.038 -7.535 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 -25.667 -9.814 7.854 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 2.154 0.075 -4.117 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 -2.573 -6.950 20.465 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 19.279 2.140 -3.336 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 -5.479 4.392 -5.785 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 3.317 13.549 -9.642 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 -12.789 2.319 -16.485 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 -1.270 -5.205 3.770 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 4.667 -6.994 3.572 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 -1.725 -3.015 1.841 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 -1.123 -5.906 -6.421 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 8.308 0.586 -3.057 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 -13.051 25.937 -17.089 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 -2.371 1.573 6.095 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 -4.951 4.026 9.973 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 -2.704 -8.814 7.099 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 5.399 -2.574 -7.239 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 12.194 2.491 0.018 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 -5.924 -0.291 -10.426 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 -2.656 4.717 -2.866 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 5.429 0.324 -10.006 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 2.322 0.739 -11.826 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 5.205 0.252 0.968 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 -8.344 9.973 3.693 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 -6.041 -10.792 -8.908 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 -2.742 3.026 -1.472 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 13.007 -20.637 3.450 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 -1.724 -12.484 -1.253 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 1.608 -3.698 -0.388 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 8.957 -3.192 1.981 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 12.403 -11.825 -5.451 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 -1.607 -0.633 -1.602 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 1.337 -1.639 -3.210 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 -3.228 2.954 -2.517 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 2.359 -2.172 0.743 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 13.045 -5.175 5.098 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 -23.940 13.030 -24.849 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 0.182 -5.334 -3.228 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 20.558 -28.311 5.657 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 -0.481 -3.233 -3.103 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 -2.274 -1.306 0.499 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 -14.616 6.465 21.212 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 -1.029 18.391 -13.759 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 3.821 1.791 -7.792 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 -0.510 8.666 -9.076 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 -2.339 -1.150 -1.336 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 7.783 3.557 4.550 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 1.786 0.099 3.516 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 -4.243 6.789 5.846 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 -1.100 2.631 2.162 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 -14.175 13.582 0.937 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 8.797 -0.822 -10.040 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 1.877 -1.526 2.889 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 1.535 12.659 -11.104 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 8.387 -2.739 4.310 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 -1.537 -1.753 6.883 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 0.481 -7.342 3.552 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 -7.783 7.056 13.256 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 0.135 -7.749 5.713 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 -3.286 -13.421 -14.997 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 -33.443 0.629 -8.821 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 0.615 -2.814 -2.619 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 -16.805 -4.055 -17.944 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 -25.636 -3.929 -27.761 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 2.538 -6.909 3.431 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 10.149 -13.654 2.034 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 7.590 -15.810 4.820 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 -0.810 2.480 -1.260 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 -12.024 15.882 15.939 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 -2.439 -13.825 4.622 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 -2.219 4.017 -2.717 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 3.212 -5.004 -6.510 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 -5.727 1.332 7.604 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 -2.499 11.219 6.047 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 4.506 5.235 -3.023 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 -1.053 18.843 11.513 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 -0.963 0.060 -0.663 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 -11.788 5.774 23.917 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 16.262 16.606 -11.333 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 3.918 2.674 4.543 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 6.761 8.567 -2.516 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 12.274 4.265 5.386 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 8.177 2.476 -2.070 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 4.594 -5.598 21.892 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 3.509 15.942 6.629 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 0.967 1.045 0.700 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 -3.464 -10.199 10.385 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 -6.596 15.015 1.082 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 -3.443 -3.406 3.599 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 -6.799 -29.034 -30.805 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 -6.941 20.066 20.908 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 7.305 1.086 1.117 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 0.582 3.022 12.688 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 10.923 10.319 -2.016 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 -1.528 1.416 1.839 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 1.340 1.842 -3.807 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 -15.419 -8.800 -8.927 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 10.244 2.463 -5.551 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 12.286 3.609 -15.849 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 8.085 -1.336 0.174 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 -5.804 -3.968 4.198 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 -25.532 -20.400 10.335 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 0.539 -14.940 -29.466 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 -5.553 -0.712 2.589 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 -8.981 -1.072 3.305 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 0.176 -6.322 2.595 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 -4.896 -2.009 2.182 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 21.033 -0.796 -16.792 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 4.639 2.081 7.017 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 -1.264 -1.197 -7.063 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 -5.967 -6.164 3.687 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 -1.413 -7.719 -7.210 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 2.889 3.625 -1.876 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 -7.876 -3.208 -32.392 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 9.247 -3.080 6.175 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 1.373 -0.813 0.185 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 1.529 -3.150 -0.405 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 7.927 -0.152 -3.079 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 10.301 2.596 -2.663 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 -9.822 7.276 -1.187 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 -7.731 21.169 -4.204 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 0.136 -2.753 -4.319 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 -1.782 -1.174 -7.789 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 -2.905 -4.435 -2.514 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 3.373 -2.689 1.581 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 25.258 -10.407 1.826 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 -13.536 -7.114 -16.161 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 -7.606 1.477 -1.842 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 -4.338 -2.101 -4.522 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 -15.124 0.115 -4.885 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 -6.337 1.318 -0.289 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 8.608 -12.558 -10.519 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 -0.048 -12.447 -10.066 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 0.337 -5.775 -0.571 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 15.636 1.743 -24.909 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 -20.791 -15.855 -12.059 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 -0.898 4.539 -0.452 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 -13.657 7.126 0.610 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 -0.618 2.657 -10.093 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 1.893 -0.901 -0.529 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 13.595 -8.936 5.869 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 -4.375 -27.353 17.570 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 -1.527 2.990 -8.682 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 6.251 14.573 -10.580 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 1.389 2.898 17.481 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 1.220 -3.133 -5.143 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 -0.316 2.807 7.747 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 0.559 -1.485 -3.469 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 -1.695 -5.145 1.551 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 8.349 -13.390 1.554 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 3.622 -10.243 9.213 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 -3.303 2.693 1.370 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 -3.028 -1.931 4.467 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 -0.777 -9.670 10.070 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 -1.979 -1.094 -0.745 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 3.594 -1.934 -11.193 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 -7.372 -13.370 2.928 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 2.518 -1.281 8.159 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 8.992 3.248 -7.332 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 -9.167 2.555 18.460 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 1.631 5.042 1.446 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 2.824 8.974 9.818 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 -5.543 4.584 -16.159 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 5.325 3.379 1.052 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 21.686 18.883 -18.846 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 13.421 30.627 12.300 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 -4.149 -3.921 -4.400 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 -4.692 3.309 -5.031 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 2.140 -5.026 -10.190 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 6.147 1.466 -4.299 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 24.817 7.855 -17.746 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 -2.400 13.716 -0.734 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 -3.953 4.087 2.431 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 13.468 -0.500 14.584 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 39.584 7.302 34.624 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 0.386 -2.629 -4.390 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 14.846 -3.887 0.578 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 -8.515 6.163 -17.244 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 -0.528 1.054 -2.077 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 6.625 -15.728 3.482 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 11.798 -4.064 3.593 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 0.532 -4.101 1.349 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 -1.892 17.598 -15.558 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 -10.247 11.027 14.563 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 0.782 0.992 4.553 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 -5.885 2.279 4.935 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 -14.431 6.528 5.651 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 1.478 -3.901 -3.659 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 -26.465 9.055 -9.416 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 17.562 -12.615 -4.637 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 1.811 -8.078 4.141 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 -8.025 -8.230 -2.254 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 5.872 -18.341 3.055 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 -3.523 1.600 -10.669 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 -2.668 0.824 7.346 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 -0.317 1.536 -14.939 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 -4.884 1.785 3.294 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 -4.346 4.283 -12.292 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 -10.029 9.259 7.685 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 -5.281 4.871 7.829 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 -2.452 8.108 8.934 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 -27.043 -22.110 -10.181 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 -5.727 -4.116 -3.538 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 -22.610 21.407 -4.231 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 0.081 -9.971 -10.258 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 -9.561 1.596 -2.185 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 -12.869 -1.995 15.484 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 -1.647 -5.049 -6.792 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 1.793 -2.813 -9.071 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 23.046 -21.338 -9.885 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 -34.150 -12.341 -10.830 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 3.432 3.868 -0.567 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 -9.277 5.195 0.989 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 7.628 -0.840 -7.211 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 4.356 2.500 6.317 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 -3.433 2.132 -0.062 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 -11.768 -2.961 18.139 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 1.477 0.188 4.633 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 -8.344 3.591 9.664 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 -3.594 2.389 -1.317 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 -6.987 12.061 4.670 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 3.374 -4.307 -26.558 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 17.424 -33.824 -6.055 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 3.880 -5.814 0.308 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 -17.739 -8.630 -6.353 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 18.381 0.942 12.912 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 0.320 -0.167 -11.041 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 -15.943 -26.650 -18.634 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 -11.476 14.774 -17.145 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 -6.224 -7.772 -3.030 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 -3.493 -1.360 -0.611 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 12.543 -3.313 6.134 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 -4.777 4.090 2.480 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 3.603 -14.272 -5.625 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 -16.764 10.668 -9.936 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 1.461 1.134 -8.553 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 8.225 3.121 -24.758 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 10.953 3.123 -15.115 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 -3.123 0.352 1.871 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 -3.387 6.085 0.622 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 -6.011 -6.061 -2.280 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 3.342 -1.664 -4.633 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 0.458 -2.148 -2.322 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 4.177 2.719 -30.212 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 2.419 -1.952 -0.423 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 -4.529 -2.312 -3.132 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 17.846 -6.314 10.369 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 -3.067 3.830 3.434 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 -31.499 -10.685 0.424 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 -23.592 -3.357 4.494 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 2.083 1.395 -5.250 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 -2.586 15.744 -16.309 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 6.322 -6.045 -3.614 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 -1.416 -2.648 -5.658 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 -4.892 -8.439 -1.327 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 3.646 -4.046 8.315 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 -1.421 -4.775 0.200 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 10.042 9.380 0.806 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 -0.662 -5.875 -19.622 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 -1.017 -6.387 -2.058 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 -18.298 -0.725 -15.817 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 -7.780 -6.047 -8.970 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 -2.780 -3.671 6.527 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 4.542 -0.072 8.152 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 6.444 -6.128 6.297 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 3.335 0.114 4.975 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 6.088 -0.563 11.552 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 -0.137 1.819 7.045 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 3.005 3.066 6.611 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 -1.710 13.026 -1.321 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 -14.002 7.680 -0.886 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 -8.113 -3.365 4.860 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 -21.657 -0.149 2.612 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 -15.481 5.544 -0.729 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 -1.934 -2.444 2.802 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 1.358 4.476 -16.965 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 2.718 -18.568 13.426 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 -3.256 -0.427 1.771 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 5.022 9.663 -17.070 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 7.893 1.588 14.718 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 1.361 4.643 4.017 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 -4.497 -21.012 14.553 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 4.750 2.705 16.034 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 -5.687 1.232 0.944 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 6.724 4.998 -6.949 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 -33.704 -9.297 18.946 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 -1.464 -1.636 3.657 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 -4.893 -0.676 4.832 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 20.424 11.947 -8.004 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 2.762 -0.089 0.379 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 -8.835 3.288 0.868 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 2.972 -6.622 -8.441 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 -2.683 4.410 -1.909 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 2.799 -3.437 -1.621 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 -20.163 -15.105 -18.084 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 2.545 0.712 -2.046 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 -9.514 -20.848 -20.362 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 -10.228 -22.964 -19.556 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 -2.510 -6.405 -3.245 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 -1.192 -0.130 -4.711 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 9.573 32.107 -14.689 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 -2.184 1.741 3.932 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 -34.963 -11.420 17.066 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 5.770 -2.455 -14.110 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 1.318 -6.290 5.576 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 0.533 -9.261 7.169 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 1.869 -7.046 -1.733 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 -1.458 4.265 -3.890 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 -2.147 2.202 9.460 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 0.102 6.614 -14.631 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 2.082 -3.925 -1.532 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 -0.240 -19.153 -14.386 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 9.671 -23.255 -1.669 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 5.390 3.439 1.160 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 9.206 4.441 -2.560 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 9.072 4.244 -2.607 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 1.757 -5.785 -0.211 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 3.312 -18.532 3.390 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 -5.276 -0.027 4.185 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 -3.456 1.676 -3.889 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 -5.186 22.419 -2.215 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 -16.781 -9.214 4.619 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 -1.180 -3.961 -1.169 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 9.146 -5.601 0.245 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 3.118 0.497 -9.314 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 -2.281 0.895 1.559 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 4.615 -12.320 5.227 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 6.279 -18.531 7.372 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 -1.808 -1.314 10.712 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 7.268 6.411 22.878 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 -16.336 -6.282 5.902 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 -1.827 0.632 3.726 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 4.042 9.020 -17.495 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 23.251 7.087 10.343 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 -4.854 -3.928 2.894 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 4.167 -3.465 -5.510 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 0.314 2.112 14.740 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 5.547 1.611 -2.501 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 -25.560 -37.336 3.108 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 18.185 -13.215 -13.663 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 -1.949 5.086 -4.733 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 9.905 8.682 15.608 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 -4.333 -4.680 -14.523 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 -1.757 7.281 3.795 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 14.179 9.098 5.552 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 -16.634 3.768 0.400 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 5.030 1.091 2.374 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 -0.485 6.400 -33.988 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 2.348 2.032 12.318 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 5.414 -5.100 -3.403 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 12.500 -2.215 -17.450 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 6.653 -10.185 -7.691 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 -10.778 3.167 -1.510 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 -13.471 -16.690 22.943 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 -4.953 -11.701 20.705 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 -0.438 6.586 -7.927 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 7.176 7.601 -4.604 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 8.283 -12.060 -21.180 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 -0.404 4.717 -4.621 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 -6.057 -9.594 4.373 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 -1.744 -12.997 -2.162 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 -0.023 1.603 0.758 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 -8.504 5.103 2.003 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 1.545 -0.842 1.704 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 0.855 1.577 6.930 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 -1.401 -15.015 -11.981 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 7.559 21.171 38.916 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 3.791 0.092 -4.486 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 -0.005 -2.127 24.934 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 -7.107 -2.562 0.764 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 3.583 -0.913 -1.266 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 -3.460 2.825 -1.804 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 10.988 1.012 -11.987 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 3.316 -1.361 -2.100 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 -0.312 24.734 -6.049 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 9.198 0.019 1.974 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 -2.496 -0.109 2.552 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 -9.459 12.499 12.099 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 13.005 15.659 -7.600 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 -7.464 -8.031 -2.891 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 14.617 -15.030 10.179 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 20.186 -17.834 12.511 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 -3.680 6.758 1.683 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 10.996 15.761 -11.940 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 -4.158 13.697 -19.611 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 2.333 -2.136 -2.138 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 -3.502 -28.751 -0.425 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 -0.947 -7.078 -1.692 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 1.901 -9.451 3.134 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 7.519 -8.245 9.502 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 -14.454 -10.737 -9.001 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 -3.786 -6.168 -2.420 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 5.523 6.298 -0.490 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 -1.271 -14.575 4.172 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 2.195 7.545 -8.276 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 1.462 11.667 -19.420 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 2.784 5.482 0.876 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 1.731 0.697 -2.159 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 7.105 -0.478 -0.116 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 2.050 -11.745 -1.303 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 2.282 -1.384 -4.978 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 8.431 12.443 -10.673 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 1.675 19.230 -22.904 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 -2.447 5.651 2.761 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 27.905 -22.863 20.770 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 -9.629 3.905 -4.747 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 -2.158 -2.217 0.878 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 -2.071 -7.555 0.222 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 -0.876 -13.663 -14.637 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 8.177 4.158 2.846 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 -13.938 7.772 -9.719 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 24.157 -10.776 -12.208 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 0.644 -4.580 1.545 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 -3.407 3.321 8.179 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 7.007 -2.891 -8.686 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 -5.060 3.530 1.294 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 12.089 -18.710 9.014 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 -3.817 31.670 -7.470 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 1.356 2.900 -1.219 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 -2.208 5.294 0.434 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 3.169 4.818 -9.014 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 -2.987 -1.092 2.745 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 1.115 -0.647 3.812 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 -3.749 2.429 1.818 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 2.768 13.907 -5.973 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 14.760 -23.251 9.991 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 12.815 5.249 -1.074 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 -4.284 -1.744 -4.936 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 17.398 -2.861 -9.066 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 21.815 -10.717 0.593 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 -2.176 6.319 -0.973 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 11.048 -31.290 -10.376 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 1.308 -0.222 -7.694 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 -0.171 1.163 -3.932 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 -5.030 21.051 2.536 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 -2.058 -13.164 0.831 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 1.543 4.054 0.159 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 -20.777 12.083 10.469 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 3.212 10.474 14.129 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 2.792 -2.167 4.070 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 4.331 18.310 6.362 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 -9.597 -9.871 13.727 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 -3.928 8.746 5.819 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 -10.302 10.773 17.812 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 1.833 16.419 14.851 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 0.703 -2.214 -4.262 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 11.730 -19.148 -11.290 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 8.643 -14.014 -9.392 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 0.412 2.539 -1.350 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 -1.642 2.093 0.492 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 0.164 18.158 10.468 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 -4.396 4.097 -1.240 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 -11.796 16.996 -3.174 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 12.518 10.639 2.889 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 4.163 8.427 8.026 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 -3.772 1.836 16.117 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 -33.404 -18.431 36.773 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 -2.302 -1.559 -0.293 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 -9.080 -4.282 -1.296 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 -18.707 9.514 -7.278 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 0.561 1.655 0.786 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 16.014 -0.419 4.638 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 0.850 16.196 -9.888 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 0.630 -0.776 4.178 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 0.041 -11.162 8.446 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 -7.112 15.937 -4.515 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 4.570 -5.058 -1.785 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 0.937 5.949 -8.663 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 1.367 -1.055 7.472 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 1.724 0.841 1.150 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 -5.689 -3.532 -11.813 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 10.746 -10.389 4.362 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 -1.891 -0.276 -2.390 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 -2.711 -1.167 6.058 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 -6.789 1.172 7.463 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 -7.482 -1.987 0.988 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 -8.208 -27.213 0.465 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 3.664 8.327 7.329 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 -1.034 4.030 -0.067 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 9.679 2.154 6.106 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 22.665 2.519 13.900 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 -2.255 2.730 3.924 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 -8.534 -5.682 -13.020 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 0.272 5.755 10.907 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 -4.020 -1.983 -4.042 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 -7.906 -2.846 28.927 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 6.955 -25.579 -10.370 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 0.035 -0.816 -6.750 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 2.321 7.533 -11.310 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 2.497 1.217 3.872 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 6.213 -1.562 2.239 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 -9.459 -14.651 13.741 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 -19.118 -6.390 -0.060 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 2.199 1.707 -0.419 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 3.674 -13.426 9.047 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 4.974 -4.688 -11.453 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 1.963 3.036 2.768 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 -3.740 -12.314 2.489 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 13.758 -4.873 1.853 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 -1.498 5.873 -8.116 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 2.970 -4.302 -14.069 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 -0.148 2.891 -13.689 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 -2.702 -3.319 -0.147 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 25.429 -9.592 9.161 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 -3.602 10.121 -6.568 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 1.847 2.803 -6.632 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 8.545 -9.054 -20.293 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 15.294 9.824 13.550 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 -1.048 1.032 1.686 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 4.221 7.395 -2.495 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 -3.636 -2.540 -5.435 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 1.550 -2.907 2.370 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 11.335 0.804 4.362 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 -12.443 11.501 -2.775 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 -3.491 -1.535 0.082 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 0.152 24.318 -11.071 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 10.329 -2.744 7.842 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 -1.355 -7.949 -7.897 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 5.715 -10.727 -7.354 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 1.765 -3.152 -9.735 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 -3.540 -4.958 2.523 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 -12.370 -10.300 2.244 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 14.555 0.900 1.796 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 0.171 -1.539 0.255 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 2.108 15.126 6.632 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 -3.808 -20.430 13.019 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 -2.540 -3.211 3.158 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 2.411 -18.460 3.302 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 -12.945 1.382 -15.466 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 0.495 -3.645 2.319 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 -10.582 22.435 9.237 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 -14.175 24.872 -12.404 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 4.615 0.311 0.675 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 -15.168 0.732 -12.629 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 6.815 -1.840 2.286 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 5.630 -1.955 -1.100 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 1.014 -16.774 -16.111 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 -6.166 2.117 18.256 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 3.303 -6.819 -3.308 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 10.899 5.620 0.160 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 -13.431 -47.571 -10.409 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 6.657 -4.150 -3.367 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 15.648 -3.270 -4.372 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 5.659 3.860 -13.936 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 6.387 2.125 6.228 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 0.768 -15.707 -0.647 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 2.993 -4.908 7.501 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 4.258 1.370 2.263 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 0.592 -0.893 -2.167 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 -3.950 -2.019 -6.138 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 2.372 -0.901 -1.310 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 -10.899 18.404 -8.157 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 -6.071 4.191 14.639 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 -0.642 -1.067 -5.303 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 5.724 -11.194 -0.782 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 12.678 -2.399 -11.822 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 2.363 1.369 -6.590 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 -1.213 3.923 -9.769 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 -0.740 0.514 -1.247 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 -3.734 -0.839 -1.216 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 -3.966 11.604 3.069 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 14.537 0.787 29.699 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 -1.876 -3.950 -7.453 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 16.005 -38.211 -26.986 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 29.810 13.333 16.062 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 -0.215 1.939 0.833 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 13.547 -3.719 7.000 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 -4.693 18.108 9.339 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 -3.323 -1.075 -0.404 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 17.444 -21.190 -16.940 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 -9.892 -1.857 -1.658 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 -3.376 -0.485 -2.507 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 2.384 -10.461 -2.637 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 7.737 10.515 8.224 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 1.774 0.162 0.342 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 15.240 -20.163 6.491 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 15.705 1.472 12.957 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 3.563 5.497 4.947 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 11.781 16.834 -5.704 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 18.197 0.582 8.837 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 3.365 -3.037 3.373 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 -1.096 0.279 7.005 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 0.047 5.892 5.037 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 -1.485 -3.790 -8.255 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 2.345 -8.664 -1.855 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 6.260 -12.911 4.066 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 -0.364 -0.701 -3.341 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 12.008 -11.601 -19.834 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 -0.932 -0.682 -3.779 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 -7.528 -2.323 1.415 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 12.955 5.227 -6.324 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 10.880 -5.355 -9.911 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 1.384 -0.662 -3.235 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 -13.767 7.128 -6.673 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 4.606 0.155 4.125 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 7.066 1.837 1.311 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 2.600 -14.200 -13.298 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 20.761 2.455 -1.166 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 -3.089 -4.789 -0.662 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 -14.119 7.488 17.142 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 -8.128 -17.796 -1.574 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 4.050 -3.932 7.014 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 -4.530 -19.640 -14.102 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 20.604 15.652 -6.474 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 4.496 -3.681 -5.423 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 5.056 -3.579 -4.033 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 -1.608 -9.210 -9.592 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 0.353 -5.081 -5.098 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 3.544 -3.005 -8.130 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 15.265 0.782 -14.630 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 -3.062 -2.052 1.235 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 -13.431 6.384 6.122 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 -2.960 -2.037 1.177 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 -2.849 -0.190 1.483 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 -16.389 13.035 -6.773 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 5.072 17.391 -10.679 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 -2.988 1.309 2.402 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 4.804 -25.698 -22.528 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 -22.823 26.663 20.438 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 1.087 -0.575 6.401 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 2.218 25.886 1.522 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 3.441 -11.375 32.690 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 6.584 -7.241 2.268 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 4.565 -1.961 -9.912 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 1.738 -9.557 10.856 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 -0.451 2.659 2.666 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 -1.863 -5.363 1.060 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 6.752 35.570 9.950 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 1.789 -2.225 3.716 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 15.348 13.252 -1.488 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 12.957 12.259 1.574 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 -6.096 -2.581 7.943 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 -22.763 14.181 7.015 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 5.767 -14.291 9.309 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 -1.026 -1.805 -6.329 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 -3.979 18.475 0.982 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 -7.768 5.984 -14.112 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 -5.961 -3.097 -1.121 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 0.553 1.511 6.400 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 2.160 -12.543 -3.926 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 4.875 -1.241 4.716 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 10.871 -3.775 10.983 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 -11.854 -11.606 -8.063 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 -10.350 0.702 1.433 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 9.607 -18.633 -9.330 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 -17.459 -13.030 15.008 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 -2.702 -7.305 -3.494 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 -4.602 -17.131 1.820 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 1.952 -5.365 -7.796 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 8.043 -6.650 -1.179 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 13.679 8.087 10.676 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 -9.001 -13.302 4.375 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 1.097 -9.681 -1.298 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 5.487 -7.365 -5.369 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 34.224 -3.847 -1.764 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 -3.354 -3.771 -2.286 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 6.542 -6.569 24.323 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 -2.102 6.464 -14.249 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 3.556 4.376 -1.001 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 -0.039 1.286 -6.031 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 14.029 1.630 -30.479 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 -2.398 -11.398 -2.144 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 8.618 -13.143 -22.208 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 6.680 10.327 -1.878 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 -1.579 1.638 -1.506 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 15.631 -0.145 -7.202 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 10.610 -8.149 -13.894 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 2.593 5.371 0.430 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 15.812 -8.406 29.925 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 5.207 18.672 -7.630 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 3.136 1.156 6.394 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 8.561 5.903 9.517 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 0.959 -7.547 2.530 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 4.433 -1.629 6.178 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 -18.437 -1.830 8.666 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 12.273 -4.130 4.499 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 -1.554 0.549 -3.062 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 -7.056 -3.433 2.855 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 7.792 6.903 -1.324 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 -5.021 5.998 8.776 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 -0.035 -1.195 -0.919 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 -2.264 -2.270 -1.397 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 -1.043 -1.420 -1.315 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 16.828 -18.629 6.787 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 -6.952 10.360 0.978 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 -2.005 5.677 0.550 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 15.410 -22.734 -5.063 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 18.927 24.320 13.067 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 -1.984 7.266 2.912 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 -8.995 11.276 -3.395 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 -2.572 -3.986 16.765 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 3.600 3.466 -5.736 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 -26.742 -23.784 3.937 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 -4.149 -6.720 -3.794 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 2.321 0.541 0.613 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 12.696 0.156 1.581 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 -22.195 8.922 -0.042 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 3.451 4.774 -4.445 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 -1.788 -5.893 -12.479 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 -0.221 -4.604 -5.562 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 6.269 2.466 7.405 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 -13.083 3.350 25.945 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 21.587 -13.239 11.901 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 -1.674 6.448 1.172 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 -19.898 -10.083 -11.035 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 2.249 2.498 0.546 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 0.612 -4.619 -1.951 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 2.449 -5.921 5.878 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 -4.642 -0.357 -22.485 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 -0.819 2.998 -5.166 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 -14.829 13.333 44.342 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 6.743 0.649 -13.172 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 -1.977 2.736 1.636 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 6.135 -1.747 6.012 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 -3.814 4.585 0.368 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 6.387 4.450 -2.359 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 25.866 21.593 -1.283 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 -2.673 8.191 7.682 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 6.885 3.168 -4.009 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 -6.644 3.133 -7.979 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 19.314 2.947 -1.085 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 0.485 -0.483 0.839 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 -17.806 10.901 10.065 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 28.985 5.712 3.234 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 3.192 -0.602 4.135 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 4.208 -3.251 2.672 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 16.789 39.125 -5.946 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 3.972 3.567 -0.948 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 4.580 2.823 -0.018 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 8.255 7.331 1.119 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 2.331 -4.549 2.693 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 5.494 -3.977 2.599 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 11.260 -7.904 6.999 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 3.747 3.079 3.379 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 -11.575 6.875 8.588 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 -13.265 20.101 3.210 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 -1.327 -2.787 -4.166 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 -9.692 -5.917 5.781 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 1.550 0.690 -14.060 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 6.642 2.014 -2.956 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 17.930 8.706 5.538 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 -13.476 -13.077 -6.060 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 -3.107 -0.713 1.082 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 -11.297 -20.390 19.507 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 -5.833 -7.555 7.321 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 3.290 -8.276 0.084 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 -12.033 -11.834 8.239 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 12.941 9.362 -7.440 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 -7.520 -6.541 -4.641 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 3.163 -2.201 -4.360 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 30.432 -3.018 8.556 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 3.726 4.043 -2.053 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 7.545 -6.908 -8.758 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 -2.951 27.779 11.397 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 3.031 -4.522 -2.709 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 -8.255 -20.328 3.725 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 -10.419 1.923 -11.535 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 2.320 -3.714 -0.397 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 3.088 8.765 15.435 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 -1.631 -23.109 -28.550 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 -1.071 -0.874 -0.025 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 -9.751 -3.790 -13.144 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 2.041 0.408 4.968 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 3.319 -0.522 7.322 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 -5.955 -8.278 4.333 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 -0.772 10.922 1.807 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 3.364 2.512 6.220 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 5.379 -0.337 9.964 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 -11.645 -4.346 2.269 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 3.994 3.022 2.120 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 4.708 -2.860 6.604 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 12.541 -12.419 11.036 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 7.608 -6.092 3.489 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 14.822 -11.109 0.079 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 0.272 -14.315 6.936 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 3.124 -4.027 0.521 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 -11.474 11.604 -7.623 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 -6.766 -8.997 -4.702 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 6.255 3.065 5.060 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 -3.065 -0.176 6.348 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 -5.046 -12.200 -0.134 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 -3.403 -6.946 -4.829 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 -13.266 -3.575 -7.800 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 -6.254 -4.276 -10.440 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 -3.706 2.524 -2.764 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 -2.400 5.959 -1.053 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 -1.874 2.898 -7.466 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 -2.064 1.839 -0.103 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 1.923 -4.251 0.670 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 5.452 -1.900 2.892 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 -3.918 -2.454 1.523 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 -20.334 1.251 -11.129 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 -10.893 -24.651 9.137 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 -2.239 4.628 -0.074 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 -6.544 -7.279 28.607 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 -5.123 -4.842 24.134 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 0.495 0.846 1.152 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 -4.270 15.393 -6.829 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 9.338 -13.804 -4.926 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 1.604 0.647 -0.135 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 6.033 2.031 -9.742 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 -1.266 -11.497 9.806 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 8.827 -2.838 2.669 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 7.057 -3.499 17.269 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 -0.398 8.271 22.186 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 -7.016 -0.288 4.123 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 -19.406 -10.009 -6.079 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 1.097 -7.152 -14.310 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 -1.654 -1.979 2.109 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 1.708 -1.225 2.375 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 9.860 -10.394 -17.713 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 -3.300 4.392 0.825 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 -8.821 -7.073 -0.637 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 -2.346 -3.354 -1.952 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 4.255 -0.621 -1.286 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 -34.596 4.983 -9.603 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 2.684 25.812 4.181 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 -4.747 0.543 -1.656 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 31.006 6.883 -24.726 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 -10.912 -9.551 -15.037 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 -4.504 -2.816 -1.330 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 -1.079 -5.459 -5.342 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 4.293 -10.931 -7.326 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 -2.979 -8.008 3.523 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 -0.267 6.800 -3.529 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 32.127 0.144 0.874 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 -3.652 7.145 1.619 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 -14.551 12.569 15.925 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 12.149 4.571 -14.117 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 9.464 -2.282 3.310 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 -9.082 3.173 10.905 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 -0.776 10.243 -18.614 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 0.789 -4.877 -4.270 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 -4.314 -3.837 2.205 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 2.678 -3.104 -9.682 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 -2.057 7.446 -2.798 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 -0.828 20.525 -16.959 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 -1.671 12.243 -8.267 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 -2.371 -1.350 -3.762 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 27.071 -24.336 0.755 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 12.394 -12.283 -1.733 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 4.955 -1.987 3.754 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 18.993 -8.432 -5.100 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 -4.950 -2.022 -8.656 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 1.312 3.739 -0.373 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 -3.150 3.638 -17.632 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 -12.367 12.399 1.228 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 -1.818 2.535 -3.539 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 1.953 -1.322 2.031 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 -26.375 -4.050 -8.082 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 5.890 -2.501 -4.244 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 15.368 -6.957 -5.970 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 -4.324 1.368 27.694 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 -3.268 -6.395 -7.322 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 -0.346 -18.404 -7.511 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 -5.133 -3.933 -7.353 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 5.531 1.426 6.067 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 9.409 3.242 -9.100 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 5.444 7.767 16.632 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 0.736 1.485 -4.647 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 -19.450 -14.512 -12.829 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 21.784 18.142 4.437 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 -2.131 -1.375 2.908 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 -3.794 21.219 1.568 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 -7.998 19.829 1.147 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 1.591 -4.864 -2.112 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 7.165 -3.019 -3.691 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 -20.744 -1.601 9.939 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 5.591 -4.621 -7.953 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 13.487 9.179 2.038 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 18.374 17.424 -2.083 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 0.488 0.461 2.907 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 6.468 -28.739 2.674 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 24.808 10.105 8.868 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 3.235 3.162 1.783 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 4.867 6.312 6.846 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 8.330 12.199 16.271 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 -2.941 0.400 -0.044 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 17.615 -18.690 3.721 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 2.572 11.693 -0.683 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 -8.039 -4.964 -1.768 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 -6.831 6.665 -6.169 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 -5.951 -10.570 8.183 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 0.029 6.252 -3.194 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 -8.342 1.645 4.923 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 19.185 1.891 0.787 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 5.233 -6.154 -0.379 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 0.074 -8.810 11.829 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 -8.714 14.646 -16.618 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 -7.922 -9.127 -0.429 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 2.383 -4.366 5.174 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 -5.650 -8.625 -0.006 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 -0.660 0.843 1.657 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 -9.615 -1.384 7.810 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 2.956 -11.425 -8.781 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 -2.161 2.464 -3.183 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 -17.377 2.232 -9.938 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 1.470 -7.426 -6.637 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 1.036 6.453 -2.066 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 13.434 -9.705 -13.245 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 23.985 -10.775 -2.600 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 -4.318 -1.178 -1.611 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 -18.045 -13.880 14.052 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 -2.460 -10.497 -25.126 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 -1.104 -0.662 3.257 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 13.168 2.372 -22.144 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 0.814 -16.623 30.315 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 -6.484 -2.235 0.584 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 -5.028 -5.395 10.370 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 24.571 -7.101 -0.458 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 1.711 -0.928 -2.334 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 -11.541 -6.434 8.945 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 4.268 -6.301 -13.388 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 -2.559 -1.906 -1.597 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 4.681 -15.818 -24.777 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 -5.821 -2.476 -1.814 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 -0.275 -5.436 -1.762 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 25.798 1.170 -1.134 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 -1.171 -24.188 11.529 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 -0.600 -0.398 -6.460 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 -4.762 -10.323 -16.300 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 0.110 0.578 -21.513 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 -9.823 4.014 3.751 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 1.767 -18.229 -9.028 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 22.423 -10.501 10.473 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 0.293 5.583 -3.606 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 -2.182 3.413 0.052 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 -5.199 -9.909 -13.272 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 5.529 -1.177 -4.598 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 10.786 -11.393 4.561 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 -1.205 -7.058 -1.630 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 -2.843 -0.219 4.672 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 -19.225 14.203 -0.609 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 -7.463 0.203 7.705 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 -1.419 0.162 -0.810 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 4.456 -28.064 -1.099 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 16.876 23.579 -16.922 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 -0.554 2.242 -1.207 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 0.796 3.791 0.446 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 -2.545 2.534 -0.948 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 -0.307 2.115 -0.492 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 7.373 8.305 22.467 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 3.965 4.743 24.964 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 3.435 -1.666 -4.683 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 8.846 1.547 -7.314 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 -0.651 2.263 -2.203 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 -0.165 -8.687 4.905 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 0.517 -4.308 -36.766 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 14.121 4.664 -7.664 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 -5.199 0.046 0.612 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 -21.672 10.217 15.329 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 -10.020 4.073 2.743 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 3.774 -2.225 -3.352 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 -1.072 6.102 13.048 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 -13.437 -6.228 -12.173 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 -4.419 -7.454 -1.776 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 1.746 -1.150 1.150 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 -1.687 -8.495 0.895 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 -3.041 -0.240 -3.617 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 -8.039 10.280 -6.364 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 4.472 -6.109 -23.728 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 -7.991 4.640 8.456 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 -27.807 -11.663 3.672 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 0.374 -6.337 25.174 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 -1.671 2.100 4.398 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 -10.265 10.536 -8.414 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 10.569 11.791 7.145 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 -1.141 -3.035 -0.525 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 1.360 12.347 -8.615 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 -2.434 0.307 -4.250 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 3.616 -7.146 -0.637 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 12.349 12.789 -27.275 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 6.801 2.414 -11.509 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 0.708 -1.226 0.462 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 0.204 -0.639 1.385 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 0.531 6.480 1.618 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 0.019 -3.849 -6.911 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 -0.794 -1.321 -19.020 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 7.140 6.265 0.593 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 -1.468 -1.110 -0.777 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 -26.660 -4.582 19.296 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 1.041 -1.886 -2.415 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 -6.620 -0.932 -1.468 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 -8.081 0.364 0.714 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 -28.477 13.737 15.697 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 5.996 0.224 3.373 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 1.703 9.381 1.814 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 2.154 5.420 1.090 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 -2.155 -5.089 4.433 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 16.920 -0.735 36.558 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 8.528 38.250 -8.738 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 1.578 3.314 -9.189 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 -52.985 -4.921 -12.953 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 26.820 7.763 -10.479 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 -0.692 -1.559 0.275 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 7.987 13.105 5.970 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 -9.389 -18.662 -2.809 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 3.836 -7.268 2.455 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 3.504 -7.141 -9.623 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 10.575 -20.573 5.809 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 3.875 1.233 5.639 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 9.698 1.812 -3.072 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 1.694 0.582 7.582 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 6.563 -3.494 1.739 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 11.025 -7.440 1.594 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 10.205 0.700 0.227 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 3.417 -4.643 -2.736 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 7.012 20.658 0.951 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 8.250 31.437 3.900 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 -0.735 -1.213 -0.965 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 -6.528 30.526 11.731 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 0.817 16.123 0.949 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 -0.490 -3.664 2.579 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 -4.519 2.675 -10.338 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 18.013 -1.066 -0.532 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 -3.466 -2.453 -3.631 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 -0.509 -8.997 3.010 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 12.629 -12.240 2.974 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 -2.877 -5.459 1.753 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 5.870 1.673 0.257 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 4.893 -14.826 -2.082 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 -2.417 -2.096 0.947 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 -9.311 16.355 -14.719 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 -2.887 17.741 -6.056 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 -4.611 -2.627 -1.259 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 25.706 -15.864 25.791 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 5.004 -4.734 1.853 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 -0.153 3.234 2.517 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 14.828 15.703 -8.866 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 -12.185 -12.242 17.219 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 3.491 2.202 -4.378 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 -14.841 -13.277 8.790 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 -11.604 -0.221 -8.289 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 2.198 1.031 -0.995 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 12.394 17.900 5.890 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 -8.961 -17.446 -7.964 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 -5.695 3.780 5.461 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 -0.164 -3.463 7.654 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 -1.244 1.551 1.419 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 -2.135 -3.107 -5.526 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 -4.906 6.418 2.541 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 14.607 -6.009 -0.856 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 1.386 2.431 -4.553 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 3.887 10.642 7.941 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 -13.764 19.790 -2.244 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 -0.766 -3.016 5.203 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 4.519 4.443 11.351 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 4.314 6.457 -4.896 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 -1.967 -5.006 4.254 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 -1.796 -14.015 6.060 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 -0.373 -7.049 -1.003 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 -1.664 -3.134 5.304 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 -10.050 -12.320 25.593 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 8.788 -15.857 3.039 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 -3.510 0.841 -0.709 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 -17.105 8.491 25.769 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 -14.593 7.356 20.647 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 -3.050 -1.653 2.809 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 7.785 -4.296 3.138 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 8.322 -7.262 14.360 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 1.097 -0.071 0.593 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 -1.176 -0.728 -7.246 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 -18.726 8.214 17.140 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 -9.447 -2.475 -2.215 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 6.842 8.954 13.092 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 -27.463 -3.678 18.422 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 -5.254 1.191 1.995 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 -14.150 11.034 -2.746 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 16.222 -24.051 -7.060 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 3.486 -0.134 0.646 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 -5.705 -0.538 -16.746 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 8.416 -8.353 -18.565 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 2.200 -0.985 -0.335 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 -3.469 -8.872 -3.976 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 7.556 6.082 5.749 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 -0.051 -3.624 -9.780 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 -8.190 -1.752 7.488 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 8.483 -2.358 -14.489 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 -3.638 -5.476 5.982 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 -15.228 29.572 -1.266 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 8.114 -2.132 -3.467 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 1.325 -1.128 1.938 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 -4.830 -0.802 -4.337 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 -6.956 -6.663 3.040 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 1.289 5.222 5.943 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 1.237 15.027 10.362 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 -5.826 -8.055 11.209 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 5.104 -5.308 -2.229 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 11.808 1.486 31.273 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 19.365 19.561 -21.666 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 -2.482 -0.351 3.285 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 20.799 -8.975 10.268 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 -5.262 19.046 16.779 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 10.274 -4.425 -2.115 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 -0.123 -8.268 11.500 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 10.877 7.118 -12.977 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 8.800 -0.438 7.275 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 4.303 -17.298 -12.970 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 -9.267 19.403 4.176 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 0.338 -1.839 -1.451 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 -15.646 -6.979 -22.511 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 21.002 11.823 -11.932 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 3.306 0.893 0.655 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 -1.241 -21.279 2.537 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 -7.952 -7.873 -7.681 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 -1.092 -4.451 10.185 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 -9.063 -4.249 11.468 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 -15.650 10.368 9.436 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 -2.306 -8.524 -1.048 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 -1.430 10.138 -17.644 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 -2.919 -15.091 -10.953 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 -3.898 -1.781 5.543 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 -2.365 -0.141 3.778 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 -11.510 -5.430 6.050 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 2.466 -0.217 -6.817 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 0.344 -6.098 -6.247 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 6.739 -7.636 -28.929 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 0.637 0.553 -4.537 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 5.567 1.946 -0.707 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 -5.029 8.336 -8.584 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 1.329 -1.926 0.430 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 16.880 -25.085 24.925 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 2.236 -15.884 -21.809 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 -3.867 6.361 -7.591 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 -2.597 -10.951 -12.550 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 -8.576 12.927 -2.184 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 -3.068 -9.763 3.148 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 4.797 -1.851 4.747 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 -11.496 4.236 1.731 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 -2.383 -0.910 -4.568 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 17.892 -0.711 4.270 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 -0.137 -12.182 -22.197 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 -1.790 -1.018 0.605 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 4.649 -6.925 -11.195 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 4.452 6.406 9.924 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 4.159 2.228 -5.473 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 -8.794 10.958 14.459 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 11.622 -15.693 6.917 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 -3.920 -8.563 -3.665 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 19.770 19.714 12.010 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 -16.523 24.392 -27.587 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 -1.316 3.737 0.548 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 6.319 25.968 6.655 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 1.736 15.672 -1.082 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 6.216 2.301 1.723 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 7.397 -1.855 -6.048 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 -15.577 -24.868 -9.156 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 -4.603 2.311 -4.883 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 12.466 2.512 -0.363 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 -3.667 16.601 -8.492 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 -0.315 0.918 4.843 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 -15.384 -3.315 -2.962 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 -13.850 20.731 -10.578 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 -10.079 -5.199 -3.839 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 1.126 12.676 6.013 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 -16.605 -16.232 10.851 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 2.104 1.084 -3.832 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 6.897 -15.060 -25.209 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 2.830 -10.208 -4.159 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 -1.489 1.881 1.768 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 21.045 -0.300 30.180 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 0.148 3.556 3.793 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 -0.096 -1.079 -5.023 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 -11.236 6.898 -3.339 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 -14.246 18.830 -0.775 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 -5.582 2.201 -0.479 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 -7.073 0.967 8.560 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 -5.114 -3.644 -3.319 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 6.903 -5.184 -4.823 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 24.412 -29.387 -18.121 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 -3.008 0.551 5.167 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 7.243 -3.749 5.835 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 4.884 -2.851 11.968 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 5.711 -1.124 29.670 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 -2.681 2.646 5.381 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 -0.511 8.496 8.710 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 -7.989 -7.649 -0.386 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 3.868 -4.157 3.024 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 -7.472 -16.026 26.123 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 3.587 -4.088 3.256 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 -1.524 3.681 -2.484 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 -31.530 -16.589 -10.389 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 24.848 2.099 -7.971 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 4.810 3.311 -6.118 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 -2.539 -3.527 2.926 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 14.686 2.393 -9.845 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 4.327 -2.517 6.968 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 10.014 2.966 -3.276 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 2.076 11.904 3.460 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 -3.241 0.205 2.141 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 -12.504 29.090 -1.284 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 -10.067 5.160 6.687 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 -1.184 -3.732 2.479 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 2.362 2.213 3.466 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 -4.112 -13.796 -0.727 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 6.511 -0.925 0.419 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 3.992 -10.838 9.651 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 9.025 -9.912 11.582 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 -1.646 -0.883 0.568 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 -2.667 -14.850 -14.253 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 -12.602 6.374 2.911 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 4.679 3.503 4.753 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 -5.857 -0.253 -11.445 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 29.629 6.867 -3.488 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 -0.077 3.439 -4.948 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 -8.149 -14.741 9.922 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 1.950 9.134 -8.867 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 1.232 -8.034 0.226 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 -3.279 -6.803 5.165 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 10.139 -2.056 -1.161 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 -1.856 -11.498 2.643 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 -11.785 -21.905 -9.663 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 3.640 2.408 7.738 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 -8.527 3.653 3.149 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 -3.575 -9.901 8.892 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 4.459 -4.080 10.575 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 4.061 0.016 1.701 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 36.564 3.416 18.562 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 28.231 -3.703 9.804 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 -0.265 -1.830 -4.060 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 16.353 -2.772 2.240 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 -15.205 1.876 -13.207 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 -3.967 4.030 5.412 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 5.618 3.358 -16.266 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 -15.892 -12.722 -11.580 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 -2.847 -0.972 -0.659 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 1.300 -2.509 7.926 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 -3.823 12.439 -3.316 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 0.232 -1.323 -3.101 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 -0.707 1.570 -3.368 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 5.634 -10.504 -0.748 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 -3.801 0.350 -8.106 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 24.935 -5.487 -11.786 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 13.225 -17.347 -11.902 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 4.934 1.055 1.127 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 -3.818 11.648 10.748 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 16.431 0.156 -1.584 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 0.754 3.573 3.602 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 31.774 -13.976 11.457 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 -24.133 23.586 -11.431 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 -1.308 -5.792 0.039 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 -10.620 -8.924 15.500 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 -26.777 -6.405 15.929 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 1.079 3.046 -0.132 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 10.388 7.185 -5.880 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 8.258 -1.330 6.709 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 0.379 9.354 0.085 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 -7.063 -5.411 5.052 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 -5.237 -9.128 -5.378 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 -2.795 -3.400 -0.080 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 -7.529 -16.473 4.469 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 3.370 21.775 1.139 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 1.621 3.598 6.647 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 3.752 14.363 15.221 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 -4.758 -3.992 -2.016 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 1.459 -6.335 2.150 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 26.425 -3.852 25.560 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 -20.575 4.893 -21.515 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 3.598 -4.514 0.141 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 8.652 -19.899 -2.124 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 1.014 -0.416 0.374 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 5.985 5.482 -0.682 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 13.708 -10.857 9.772 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 -3.664 23.499 -11.336 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 -4.066 -0.756 -0.199 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 -8.261 -5.755 -5.435 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 16.954 -9.997 20.053 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 2.693 -4.158 2.886 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 6.164 -12.375 -11.970 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 -5.169 13.628 -3.066 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 -0.713 4.479 1.773 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 2.122 0.424 1.140 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 -0.657 4.156 2.024 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 1.363 -4.503 0.400 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 -7.902 -10.855 -3.540 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 2.332 -0.555 -9.810 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 -0.244 -4.809 0.270 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 -2.702 -0.565 -15.490 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 -6.980 30.867 2.887 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 5.009 4.393 -0.582 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 -8.651 19.761 -28.861 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 -13.902 2.327 16.234 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 -4.029 1.337 -0.851 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 -1.064 3.497 -1.523 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 19.193 12.900 9.717 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 -0.431 0.754 3.532 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 6.939 7.259 -3.173 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 -15.059 -3.715 -1.233 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 4.251 -5.000 -4.599 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 -6.472 -4.862 5.623 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 8.889 3.218 -7.240 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 -6.675 3.182 -2.757 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 -12.935 -0.287 -0.811 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 7.393 -10.774 -1.503 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 -2.846 -4.524 0.934 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 -3.617 -3.645 17.810 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 -17.489 -19.568 0.634 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 6.892 5.049 -9.921 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 -0.614 -28.555 -0.836 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 22.705 15.477 24.818 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 1.035 2.611 2.296 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 -3.631 27.429 19.215 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 -2.232 -3.976 8.930 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 -1.320 -0.079 0.593 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 -5.293 13.372 5.114 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 3.665 -9.824 -26.588 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 1.688 -5.251 3.247 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 3.693 -1.455 27.947 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 6.177 -12.294 10.249 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 -0.605 -2.971 3.534 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 14.263 -26.439 8.773 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 -27.688 -4.869 11.959 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 4.558 8.253 -1.484 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 -9.812 -13.479 -2.083 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 -6.554 -7.918 -3.336 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 -3.930 -2.897 1.527 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 -14.173 1.271 -3.012 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 -0.445 -11.104 9.840 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 2.661 0.170 -7.988 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 -10.548 7.438 8.950 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 -3.101 6.985 -1.027 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 -0.575 -1.409 -6.506 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 13.060 -1.348 -8.134 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 -2.203 2.960 6.717 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 1.346 5.242 2.071 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 2.447 -7.477 9.371 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 -4.624 12.401 10.072 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 -4.775 -1.803 -1.731 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 -7.950 0.066 -2.643 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 8.109 -12.918 -1.970 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 3.215 1.868 4.148 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 -2.877 -4.742 15.877 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 -7.964 6.013 -4.736 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 11.731 2.262 0.877 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 -1.933 -5.185 -0.293 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 6.114 -15.861 7.615 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 -0.140 4.338 -3.397 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 5.638 4.822 3.618 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 -2.568 -1.735 -9.179 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 -2.007 -0.203 -1.550 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 -0.241 -17.496 7.613 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 -4.044 0.878 1.109 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 1.642 -3.173 7.429 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 -0.746 -4.702 6.964 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 -0.063 9.569 -18.753 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 -3.402 -2.260 2.942 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 -4.421 -21.583 11.473 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 14.570 4.203 0.803 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 -2.487 0.845 0.540 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 -9.161 -8.432 -5.776 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 -23.956 -2.198 10.010 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 5.817 -5.782 -1.054 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 -23.158 20.060 -3.255 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 8.879 -6.553 11.964 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 -0.550 5.949 -0.107 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 3.564 -10.178 1.943 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 0.283 9.657 -16.914 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 -3.019 3.750 -1.056 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 -4.455 -0.147 -0.602 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 -2.943 0.656 -1.845 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 3.239 -2.316 8.792 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 -6.502 -0.170 5.624 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 -6.527 17.446 2.144 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 -1.755 0.957 2.093 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 5.023 14.477 2.080 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 -2.155 2.372 3.017 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 6.651 -3.384 -1.248 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 12.254 -0.090 -12.246 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 -3.937 -7.669 -8.504 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 3.716 -1.051 -2.497 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 3.272 2.541 8.600 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 -9.070 -4.432 7.193 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 -3.713 2.908 2.859 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 -4.225 0.694 5.938 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 -5.258 9.563 0.552 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 4.000 4.402 -7.544 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 13.539 4.989 -11.169 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 -1.851 5.538 -6.400 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 4.031 8.880 -0.700 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 -0.362 2.562 6.475 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 14.301 14.581 0.164 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 3.427 -4.228 -0.348 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 8.527 -5.358 -5.880 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 -8.803 -3.831 -3.242 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 -2.930 -2.350 -0.445 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 -6.537 6.744 -10.238 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 0.555 -4.150 6.234 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 -5.441 -2.388 -0.512 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 -5.239 -20.217 13.926 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 5.298 13.502 -2.752 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 0.672 -4.817 -7.128 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 -0.832 -7.671 -1.220 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 -7.066 -1.720 -11.314 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 7.678 0.508 -3.549 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 9.971 0.670 -3.058 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 -4.710 -2.623 -5.249 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 -1.839 1.778 -0.629 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 -3.158 9.762 -5.960 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 -19.554 -15.508 7.922 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 -6.457 3.863 -2.058 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 -2.617 3.016 1.712 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 -20.137 9.145 5.388 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 -3.530 3.620 3.197 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 -30.176 -27.488 -17.149 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 -13.332 -8.031 -5.133 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 -0.705 6.810 -2.609 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 5.937 27.646 13.831 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 3.389 1.039 11.426 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 -3.630 0.535 2.696 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 1.060 6.103 11.586 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 3.335 15.210 3.189 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 2.417 2.919 -2.705 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 15.706 2.290 6.531 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 11.709 5.763 2.035 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 5.950 3.895 -3.052 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 11.326 -17.421 -9.839 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 -2.345 14.766 1.677 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 -2.818 -6.458 2.919 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 2.985 -8.317 -0.676 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 -14.260 -1.072 7.563 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 2.212 -3.798 -2.264 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 26.513 -5.192 -8.578 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 -1.860 -4.408 -1.886 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 2.054 9.647 2.621 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 5.973 10.348 3.840 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 -8.860 -21.970 -3.249 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 1.791 1.279 2.401 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 2.613 -1.805 3.806 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 11.528 -1.448 1.509 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 1.943 -3.723 1.874 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 -2.839 -22.959 13.559 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 4.599 14.118 -7.842 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 -3.549 -2.530 4.171 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 -17.117 7.524 12.646 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 -14.001 11.161 -8.855 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 -0.770 3.139 -1.083 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 0.024 2.646 -1.343 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 -26.512 3.322 2.374 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 2.080 2.419 5.322 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 5.282 29.387 10.168 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 -4.411 6.583 7.839 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 6.613 4.819 2.064 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 3.033 22.399 9.639 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 -14.268 6.151 2.947 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 4.970 9.784 -6.219 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 1.754 -22.222 -2.751 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 -3.048 -23.704 -6.576 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 -1.656 4.871 4.774 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 3.016 6.564 -0.019 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 0.082 6.120 8.413 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 -3.474 4.049 -6.161 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 -1.547 8.388 -4.621 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 -0.535 5.558 -4.995 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 -1.716 -1.772 5.103 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 -3.712 -1.470 5.778 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 -5.132 -10.169 3.882 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 7.437 -4.406 -5.018 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 -3.695 -16.190 17.014 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 -16.844 11.027 -6.271 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 2.072 -1.343 -0.428 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 3.617 -14.505 -5.673 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 -14.820 3.469 18.820 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 2.928 1.182 4.530 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 8.760 0.454 2.570 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 1.649 -4.863 5.176 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 4.952 0.870 -1.905 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 6.800 18.874 -15.040 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 -12.326 0.691 6.671 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 -4.435 -3.374 2.077 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 -7.522 1.365 6.919 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 -6.682 -0.464 3.722 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 -3.037 0.054 -3.105 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 -1.588 21.996 -7.152 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 -0.011 -26.317 17.703 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 4.929 -2.953 2.457 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 -9.524 -2.082 -8.430 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 12.618 -17.249 -0.770 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 4.549 -0.735 -0.338 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 4.797 20.962 18.993 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 11.853 -17.517 4.835 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 -0.435 1.450 -2.530 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 -5.867 15.595 -5.117 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 -14.677 -5.566 -0.086 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 -2.025 2.031 -6.067 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 -20.731 7.432 -3.121 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 -11.328 -0.037 -3.365 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 1.919 6.560 -3.033 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 1.092 9.321 -3.826 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 2.043 4.693 -2.860 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 -1.589 -1.261 0.409 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 5.826 13.783 10.403 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 -4.631 -7.214 -10.411 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 -4.296 -4.359 -5.375 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 12.082 -16.058 -17.128 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 -3.971 -3.266 3.733 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 1.651 2.842 -5.180 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 1.832 7.059 1.294 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 15.706 -6.014 -24.519 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 -5.129 -7.895 -1.068 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 0.221 -4.759 -14.087 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 -13.558 -2.309 6.886 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 5.206 3.378 6.465 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 1.310 -15.090 13.163 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 11.068 22.037 31.070 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 1.054 0.454 0.102 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 -5.339 -11.640 22.534 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 5.550 3.309 -23.893 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 0.598 -4.824 -4.718 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 11.470 -5.315 3.067 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 -10.811 0.219 -20.863 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 2.167 8.728 3.096 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 -13.710 10.235 -32.618 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 12.031 0.474 -9.705 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 4.737 1.554 -0.066 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 0.245 -6.621 7.391 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 34.610 -11.191 -0.919 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 3.608 -3.608 9.559 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 -2.648 -0.201 -9.746 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 -3.997 -9.233 4.989 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 -0.635 -1.063 -0.702 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 6.408 -3.740 -10.835 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 0.197 -11.189 -1.242 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 -3.006 1.642 -4.689 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 16.830 12.412 13.921 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 10.787 13.245 -17.475 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 -1.209 6.345 1.470 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 6.786 -24.949 9.027 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 -18.572 13.960 4.843 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 1.376 1.073 -2.102 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 -10.871 -31.139 0.533 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 -3.988 -16.284 23.468 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 -2.200 -0.056 -3.731 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 22.781 -5.342 0.593 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 -16.032 -13.774 -14.476 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 9.022 0.631 -8.722 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 -1.085 -23.989 2.954 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 10.656 4.852 -4.427 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 2.736 -1.686 3.379 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 2.457 16.902 -8.617 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 0.474 6.688 1.392 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 -2.092 5.952 -0.334 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 8.493 4.274 -5.240 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 -9.859 2.737 -8.303 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 -7.123 -7.459 -1.242 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 1.120 8.236 3.688 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 -20.961 -5.424 -8.147 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 -2.569 1.266 3.448 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 -4.951 13.145 13.738 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 -11.841 2.627 15.610 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 -0.838 0.569 -2.920 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 -15.199 9.017 -16.136 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 -8.737 -10.654 -17.033 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 -5.839 -3.439 2.971 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 14.422 11.465 12.208 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 -10.020 1.526 8.014 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 -3.962 3.728 -0.243 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 -4.069 5.549 -8.801 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 -8.244 -2.966 0.249 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 -3.906 -1.732 3.149 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 8.797 -3.518 16.641 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 -1.298 11.653 -3.688 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 -3.354 -4.721 -9.071 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 -2.423 1.886 -1.637 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 3.104 10.305 7.415 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 -0.301 -4.324 5.642 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 -5.466 -5.225 8.574 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 12.284 2.244 -3.558 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 4.165 1.024 -11.884 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 7.839 19.754 -2.306 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 -5.418 -5.642 0.707 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 6.970 -7.755 -1.140 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 7.974 23.385 8.593 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 5.857 16.682 2.769 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 -3.913 3.646 -1.727 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 8.709 10.117 -1.886 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 3.105 -5.294 -2.188 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 0.458 -1.344 2.936 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 -4.292 18.870 -7.743 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 18.611 -5.889 -1.962 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 2.027 -3.593 1.007 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 14.412 3.560 -8.963 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 -1.173 -19.992 -4.206 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 -3.580 2.625 -9.615 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 -6.951 2.407 34.402 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 -1.444 -18.753 12.979 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 -2.375 -3.651 -2.616 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 -1.246 -3.172 -5.902 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 -7.632 9.980 -20.183 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 3.638 -0.190 -0.052 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 4.265 5.592 13.630 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 6.278 -0.007 18.929 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 3.281 1.262 0.725 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 21.297 4.226 10.675 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 5.156 -11.858 -2.517 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 -0.200 8.668 3.428 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 -2.918 -9.442 7.385 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 12.957 7.888 -4.723 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 -6.143 -5.654 1.640 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 16.702 -14.149 -10.723 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 26.168 10.220 18.554 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 3.766 6.254 4.340 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 5.468 -28.415 -5.062 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 10.244 -6.305 0.403 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 -1.148 5.254 -2.964 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 -3.349 5.333 11.572 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 -4.284 -4.348 -23.922 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 -0.584 2.215 1.336 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 20.393 -4.419 -16.361 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 -23.934 -4.306 -19.517 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 -9.263 3.619 1.841 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 -1.541 8.367 -12.674 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 -20.532 -6.386 -0.485 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 -4.537 0.688 -8.720 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 8.599 3.797 0.225 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 -0.532 -21.699 4.837 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 3.057 3.285 7.722 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 -7.202 10.291 9.099 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 9.940 -8.092 7.477 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 1.620 -4.365 -2.112 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 13.396 -14.706 3.142 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 9.462 -32.092 17.535 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 6.193 0.018 4.741 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 7.761 0.390 6.136 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 2.416 -9.495 5.364 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 0.009 2.743 1.939 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 -13.887 -2.320 0.355 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 9.323 -1.584 -6.086 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 3.841 9.970 -2.429 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 10.419 -6.497 8.044 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 -24.437 -34.147 2.025 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 1.577 3.242 2.317 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 0.905 -0.461 1.495 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 -3.128 -2.878 6.472 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 3.794 -3.151 -3.056 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 11.482 12.493 7.959 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 -17.461 19.339 25.529 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 -3.763 -8.656 -1.301 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 -20.918 4.496 -9.293 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 -6.242 -1.665 12.499 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 1.063 -9.305 -5.006 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 -3.200 7.503 -6.995 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 3.455 -9.637 -4.918 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 -11.085 -0.965 5.820 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 -1.476 -8.088 -11.464 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 4.292 3.588 14.582 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 -5.303 1.009 -7.545 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 5.619 -10.065 -25.114 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 5.691 2.033 11.536 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 -0.125 1.912 2.044 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 -8.794 -5.836 -7.726 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 11.348 -10.623 -25.735 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 -1.706 3.816 1.693 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 -17.042 21.874 18.133 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 8.315 -12.486 -10.149 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 -1.343 -4.193 12.967 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 -7.011 0.370 10.763 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 27.614 -29.782 -3.628 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 2.899 3.068 5.388 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 8.292 0.866 28.263 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 -7.316 -24.635 -0.019 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 1.150 3.790 0.469 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 18.397 -1.661 -17.057 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 16.524 -4.109 -16.187 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 2.550 -0.204 -1.599 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 8.155 0.593 11.502 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 5.877 -1.969 -9.529 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 -0.113 -2.558 1.451 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 -32.279 -1.656 8.144 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 -5.472 -17.429 16.667 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 -2.021 -2.087 7.229 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 -12.925 5.824 -7.438 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 4.970 8.101 7.070 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 2.772 -0.909 5.457 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 -5.980 -44.321 36.398 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 11.852 -15.073 23.002 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 4.102 -1.453 -3.111 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 8.753 0.264 -0.274 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 -10.740 -0.055 -23.384 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 -3.233 -3.040 0.962 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 -1.148 -16.224 -12.065 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 -3.351 11.504 -16.844 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 3.254 0.209 -0.750 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 2.375 -9.194 -4.140 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 -2.584 20.535 3.926 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 -0.051 -2.554 -6.875 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 18.733 -8.179 -9.780 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 12.674 19.934 -6.896 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 -1.237 -4.822 3.782 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 3.190 0.546 -0.172 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 12.902 4.919 9.828 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 -0.631 0.822 -0.157 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 10.679 13.171 18.052 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 19.181 -12.217 7.180 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 4.101 4.615 -1.733 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 9.462 -1.674 -10.587 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 4.350 6.817 -26.020 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 -4.763 -4.376 -0.731 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 -1.771 5.684 -12.235 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 10.358 10.448 6.292 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 -2.889 1.689 0.387 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 -21.716 9.601 -14.730 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 2.090 3.358 6.951 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 3.807 -1.776 -2.001 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 -2.260 -52.061 17.586 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 -1.820 6.536 -2.062 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 -7.058 -6.837 4.062 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 -4.829 -6.002 4.275 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 6.256 17.515 4.494 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 -1.666 -5.346 -0.641 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 13.258 9.416 24.989 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 -4.675 -16.730 -5.508 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 -0.930 0.560 -0.729 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 22.199 25.001 17.035 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 19.171 10.302 8.189 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 6.628 4.529 -2.541 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 2.311 5.539 -0.980 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 -3.028 15.549 14.050 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 2.175 1.045 1.142 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 4.317 -0.360 -16.614 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 -7.992 -0.620 14.383 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 -1.399 -1.423 1.881 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 7.831 -18.220 -4.249 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 -6.359 11.456 -2.466 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 -4.645 -7.854 3.890 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 -2.038 -15.691 6.405 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 2.907 -4.827 -0.031 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 -3.790 2.184 -1.647 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 -4.582 -8.170 2.989 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 9.064 1.944 -20.006 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 0.070 -2.175 -2.803 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 4.793 -7.846 -8.445 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 -8.722 8.700 6.457 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 7.808 -2.004 3.977 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 4.231 -4.127 10.666 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 13.809 -6.702 4.257 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 -7.243 0.892 5.517 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 9.054 -2.783 -5.622 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 -19.604 23.618 9.059 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 3.142 2.577 0.249 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 2.889 3.237 -0.086 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 5.774 0.085 -1.958 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 4.367 8.192 1.579 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 2.848 -9.326 8.550 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 13.481 4.222 9.677 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 9.804 1.938 3.384 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 7.170 0.788 7.791 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 6.958 8.784 1.150 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 -2.812 4.480 3.908 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 -2.340 18.269 13.392 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 -1.232 -3.444 -1.920 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 -3.911 7.288 -1.413 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 -10.027 10.875 -3.071 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 1.105 7.779 -5.958 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 4.885 3.368 -1.874 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 -1.969 -11.000 6.086 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 7.205 12.652 -7.027 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 -0.866 -2.402 2.817 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 5.555 0.063 -5.373 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 15.087 7.369 -5.147 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 -5.342 -1.678 2.196 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 4.910 -2.230 1.451 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 -10.245 0.108 -5.401 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 -0.189 6.863 -1.318 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 -3.739 8.393 1.629 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 -25.889 9.309 3.215 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 -5.713 6.101 3.325 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 0.887 6.187 0.650 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 25.328 4.730 0.566 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 1.701 1.983 1.170 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 -6.274 29.578 9.599 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 17.865 -6.782 24.655 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 -1.187 2.873 1.521 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 -24.773 22.252 -1.914 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 8.467 -2.426 -2.351 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 -4.783 -0.201 -5.025 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 -7.668 2.836 4.987 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 5.485 -4.309 3.571 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 1.227 0.250 -5.442 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 4.175 8.372 7.951 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 2.358 6.738 2.718 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 5.107 -1.724 -6.269 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 19.039 5.353 -1.125 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 10.693 0.772 -5.191 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 1.346 -5.390 0.577 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 10.875 -37.782 -3.845 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 20.269 30.939 -16.555 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 -8.155 6.707 -0.305 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 -8.764 -0.419 -10.726 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 -12.875 19.571 14.325 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 2.856 0.470 3.617 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 -13.062 8.209 -21.052 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 31.078 6.584 9.011 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 0.097 5.112 5.534 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 1.328 22.082 -5.204 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 -2.879 2.196 6.853 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 2.929 -4.611 -1.901 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 -4.218 -17.439 -10.669 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 5.307 2.149 -8.872 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 0.213 2.601 8.126 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 -12.407 1.720 13.028 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 14.770 -2.305 4.656 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 -0.640 -2.612 4.272 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 27.182 5.829 17.409 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 -5.010 -3.374 2.317 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 3.677 -6.912 -2.106 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 5.028 -22.067 9.227 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 0.622 -0.019 0.839 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 -2.455 -2.435 -4.399 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 -10.763 1.327 -11.774 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 8.079 -14.739 14.814 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 3.580 1.186 -5.635 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 7.744 7.777 -4.253 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 -22.365 0.761 -7.531 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 -6.027 0.987 -6.839 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 -11.182 2.023 0.836 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 2.261 23.008 10.718 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 1.956 -4.862 3.907 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 5.597 -9.673 3.210 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 -4.977 -11.000 10.267 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 -3.169 4.225 3.639 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 -14.926 27.580 -17.556 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 43.077 14.286 21.455 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 2.322 2.717 -8.158 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 8.331 22.762 21.923 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 13.532 -15.915 3.038 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 0.165 1.020 1.334 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 5.276 1.815 0.276 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 -19.750 12.132 6.988 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 4.151 -0.226 2.760 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 10.510 -1.817 -3.567 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 -16.936 11.478 16.201 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 4.782 7.609 -6.675 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 5.485 5.656 -7.326 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 5.479 -0.652 -5.992 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 -0.149 4.440 -2.626 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 -5.188 -13.612 -13.752 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 -17.874 19.870 -6.370 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 -0.464 1.478 -0.750 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 -10.121 1.591 -10.056 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 0.032 -6.963 -16.127 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 2.016 -4.169 -1.615 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 5.478 -2.480 2.207 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 3.024 8.379 -14.066 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 2.330 -8.874 2.857 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 -6.346 -14.124 19.461 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 36.529 -11.333 4.329 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 4.640 -5.414 -0.421 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 4.581 -0.160 -6.397 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 0.026 -14.669 17.747 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 -6.378 -11.298 3.536 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 -0.284 6.971 13.958 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 -7.528 1.941 13.132 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 1.675 4.384 -1.809 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 24.262 4.805 -4.329 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 15.007 5.280 0.270 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 -0.043 -1.255 3.798 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 -11.534 -0.319 -12.650 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 18.629 0.677 -2.921 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 6.692 3.028 3.199 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 15.873 15.666 10.101 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 28.388 -17.119 -10.927 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 -0.227 7.005 0.933 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 -0.757 6.497 0.778 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 1.448 4.112 -5.600 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 1.701 -3.929 -0.713 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 -12.233 0.511 0.049 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 -6.224 -12.292 13.138 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 -0.259 3.431 -3.871 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 5.190 7.909 0.804 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 1.362 5.767 -11.794 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 8.179 -0.934 0.368 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 1.112 -3.075 2.432 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 -5.037 6.401 -7.258 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 0.256 6.697 -3.434 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 -18.000 -2.021 -3.431 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 1.079 6.067 6.539 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 1.373 -1.774 3.760 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 12.025 -6.645 0.138 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 -35.446 27.347 15.761 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 5.902 1.759 2.252 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 14.972 12.757 -0.232 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 -4.071 -3.122 -24.567 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 4.944 -1.590 6.038 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 -16.283 7.742 -0.296 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 21.996 12.626 -4.325 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 0.417 5.777 -5.071 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 -5.960 3.363 -4.155 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 8.657 -4.157 -17.628 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 -6.293 -3.063 1.996 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 3.137 7.867 -6.676 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 -12.774 24.171 8.570 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 -2.268 -0.466 5.376 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 -3.938 -16.820 4.974 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 -6.793 21.651 21.933 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 5.331 -8.575 -3.626 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 -7.461 -20.382 -17.247 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 1.134 18.238 -8.730 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 6.062 -2.868 -2.093 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 -1.804 5.282 9.476 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 -5.237 7.625 0.326 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 1.101 1.750 5.322 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 12.443 11.804 -1.064 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 15.495 -9.280 -0.241 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 -2.886 -0.994 -3.590 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 20.442 -10.580 -1.575 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 -14.698 -16.056 -16.077 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 2.585 3.935 2.277 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 1.559 0.651 0.473 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 -8.326 6.310 1.308 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 -0.579 2.904 -1.040 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 -3.472 -27.148 -8.228 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 -2.055 -22.164 -6.139 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 1.362 -3.669 10.103 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 2.099 -11.857 -5.078 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 3.606 -14.674 23.492 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 -1.847 0.697 2.072 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 -17.726 5.296 -10.655 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 24.247 -6.103 -18.787 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 -4.563 -2.401 11.059 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 3.888 1.353 9.712 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 -20.128 -11.479 14.967 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 -1.720 2.819 2.503 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 -12.249 -14.744 -13.110 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 -3.619 -4.005 -0.414 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 -0.754 13.649 -1.660 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 -16.559 10.701 9.474 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 10.953 -0.802 -3.802 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 -1.229 -2.248 -1.050 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 10.736 0.169 15.992 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 0.259 -1.939 -1.570 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 -0.782 -6.050 -3.036 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 -14.341 2.723 11.731 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 -10.656 -24.265 -10.375 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 0.086 3.849 1.969 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 -4.026 8.326 4.791 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 3.201 -0.030 1.887 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 -3.218 -3.393 3.776 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 -16.923 10.875 -27.459 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 -19.952 -14.882 1.834 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 -2.700 1.400 -0.494 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 17.493 -12.535 26.175 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 2.036 -25.284 -28.221 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 5.895 3.784 -1.100 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 3.964 12.120 9.228 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 -18.957 0.770 -4.700 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 0.146 -5.828 -0.621 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 -14.495 -9.492 -4.571 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 -14.038 -4.679 9.480 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 -4.670 -1.049 -6.176 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 -3.430 14.411 0.681 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 0.427 -10.100 2.036 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 1.759 -2.448 -1.823 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 -3.305 19.936 -10.118 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 5.163 -8.379 -10.830 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 2.790 -0.004 -3.545 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 5.655 -2.237 0.096 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 -2.690 4.225 -11.150 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 -5.220 -2.653 -0.484 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 -20.197 -2.082 0.919 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 12.006 -2.690 14.727 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 4.306 -4.080 5.595 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 -12.900 -7.617 -0.116 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 -7.849 0.772 5.000 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 3.604 -5.917 -4.264 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 6.176 17.098 -12.900 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 18.234 -12.353 -14.353 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 -4.232 0.955 1.272 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 -2.010 -16.294 -3.856 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 -12.554 31.206 6.561 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 5.558 5.354 -0.518 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 2.068 7.628 12.092 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 -1.024 13.897 -9.332 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 4.860 -2.467 -2.317 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 6.598 7.736 -12.301 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 -10.116 -5.198 -1.290 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 3.003 -0.590 3.655 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 -9.609 -1.665 19.530 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 16.736 -0.403 -13.608 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 -0.185 4.249 4.541 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 1.602 8.856 8.467 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 3.329 -20.057 -13.323 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 0.348 -7.727 3.675 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 -11.885 -11.584 -7.113 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 -5.430 -10.439 -7.878 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 1.188 3.527 1.024 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 31.493 -24.245 0.220 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 -19.125 6.532 -23.691 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 2.137 -1.817 3.589 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 18.587 -10.366 -4.126 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 -0.395 -1.684 8.014 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 -3.389 -0.567 2.677 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 -0.562 -7.497 2.374 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 -26.564 1.828 9.445 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 8.019 0.661 0.759 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 1.244 -6.099 4.859 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 -2.573 -10.359 7.797 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 2.988 -3.821 -4.492 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 -7.054 -11.477 14.669 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 -4.712 -14.064 -4.263 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 -0.997 0.105 -4.879 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 5.811 6.771 13.837 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 -4.847 -17.278 -0.664 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 -0.332 4.589 -2.441 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 -3.929 23.381 3.333 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 -7.169 7.223 -12.092 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 -8.491 -1.663 1.208 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 -8.400 -0.106 2.512 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 -6.620 -1.832 -1.366 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 -1.803 -6.145 -2.515 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 12.747 -13.000 -4.257 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 -0.260 -8.084 -15.646 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 4.893 2.441 1.344 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 14.724 -10.632 8.394 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 7.682 -2.027 3.798 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 -1.668 -0.531 5.055 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 -20.398 -1.120 13.490 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 -0.073 10.191 10.583 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 -3.314 12.134 0.426 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 30.836 26.296 -2.271 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 26.927 26.010 0.010 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 -2.894 -10.712 1.277 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 2.784 -4.700 -16.481 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 -17.823 3.748 5.996 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 2.714 -3.182 4.204 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 3.822 -2.820 -1.389 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 0.726 -2.840 14.392 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 2.467 1.955 -0.110 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 -11.985 10.192 -2.126 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 21.310 -9.270 14.268 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 7.651 -1.264 -0.155 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 -24.150 8.257 -8.621 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 -6.363 0.198 2.625 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 -2.203 4.189 -2.486 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 -5.133 11.472 -4.017 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 7.484 -41.159 -19.752 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 -3.098 -5.966 1.433 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 1.861 0.082 4.797 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -5.068 -17.899 -19.197 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 -2.742 -2.679 0.782 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 -7.831 -20.460 -2.459 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 -7.515 -1.286 0.216 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 -2.570 -5.783 2.894 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 0.972 -9.268 4.498 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 -2.710 -2.033 0.397 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 6.782 2.471 -3.051 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 -3.966 2.892 -14.096 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 13.321 1.734 3.601 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 -4.364 5.975 0.842 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 -7.711 7.885 10.043 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 -10.513 -0.201 -2.644 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 -1.130 2.317 10.140 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 -25.576 2.170 15.717 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 5.832 -12.928 18.004 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 -1.645 4.373 1.343 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 -8.433 13.911 2.463 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 -4.757 -4.700 6.327 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 -1.430 11.449 -0.308 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 4.202 12.377 -8.707 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 -5.887 10.162 3.588 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 0.878 -2.446 5.388 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 -4.521 -6.500 -0.365 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 12.430 3.285 8.116 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 2.173 0.086 0.646 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 23.059 6.343 13.248 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 23.028 7.994 0.188 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 -3.856 2.535 1.404 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 -8.370 -11.636 -4.559 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 13.438 3.350 -8.317 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 4.263 4.376 -5.142 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 -10.596 5.385 -4.412 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 12.331 -4.003 -3.682 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 -2.957 -1.192 -0.810 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 7.315 3.651 1.161 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 18.671 0.256 -8.000 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 0.511 -1.563 0.868 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 2.557 8.721 -2.741 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 -6.955 13.297 6.597 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 7.976 3.622 2.097 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 -14.227 -5.133 -20.176 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 26.810 22.219 -2.077 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 -1.248 -3.452 0.178 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 -2.388 -1.220 0.873 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 -2.095 -3.307 -2.272 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 5.369 -2.426 -2.749 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 -2.225 -1.499 -11.312 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 14.856 -8.482 1.360 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 -1.738 1.884 -2.730 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 -0.496 -2.381 0.670 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 -13.634 12.829 -19.949 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 -5.828 -6.069 5.477 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 -3.446 3.852 21.123 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 13.338 -15.254 24.993 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 -0.870 5.697 -4.769 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 -7.908 0.827 -12.638 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 2.341 9.366 -9.319 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 3.226 -2.193 6.338 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 8.636 -4.377 -3.933 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 -5.440 13.446 3.349 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 -0.795 2.851 -5.567 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 -11.475 -6.547 12.134 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 -21.978 -4.408 2.248 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 -0.834 3.584 4.023 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 -5.712 8.853 9.156 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 11.394 -7.592 -7.873 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 0.907 4.952 1.551 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 -10.642 -3.537 -1.018 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 1.555 5.042 1.944 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 -1.758 6.292 4.120 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 1.356 7.678 6.404 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 3.210 8.031 5.186 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 -10.717 1.652 4.835 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 1.576 -3.884 1.692 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 -3.790 -4.400 -0.945 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 -4.691 7.318 -0.145 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 -6.761 22.197 5.598 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 -9.250 19.143 12.117 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 0.730 -3.475 3.831 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 5.319 -0.050 -9.174 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 -12.670 -4.350 1.918 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 2.244 7.949 -6.063 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 2.475 -6.984 -0.925 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 -1.891 -4.354 -7.851 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 1.991 -0.046 3.687 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 11.758 18.841 27.668 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 21.776 -23.795 -2.693 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 -1.934 0.758 -4.109 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 -6.737 12.447 36.543 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 -6.538 -4.781 -24.588 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 -3.722 4.978 5.508 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 7.626 1.257 10.267 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 -9.564 -1.844 15.717 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 0.754 -0.127 -0.670 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 1.717 14.805 -3.170 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 6.420 -3.053 -0.151 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 -0.933 -2.108 -3.879 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 -11.955 16.077 5.224 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 -7.956 -1.406 -10.623 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 3.085 3.152 1.995 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 11.433 -13.862 -8.954 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 -5.438 -3.369 0.936 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 2.410 -2.305 -4.244 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 9.955 -6.188 12.585 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 5.537 -6.832 -19.106 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 -0.930 -0.299 1.179 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 10.196 17.217 18.525 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 -3.921 -19.850 15.639 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 1.816 4.314 0.251 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 -18.039 -26.000 -6.660 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 -10.403 -15.166 -3.252 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 -2.514 -2.126 8.903 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 3.684 -21.183 5.607 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 32.363 16.065 19.503 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 -0.954 -9.758 -1.915 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 -12.450 -1.665 11.226 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 9.978 1.796 -4.754 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 5.823 -3.141 -1.002 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 20.066 -6.677 -5.508 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 -0.663 12.398 3.470 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 -1.711 1.414 -6.541 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 -4.266 -10.463 -4.641 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 -6.359 -9.791 12.121 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 0.331 -0.218 0.094 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 0.861 -7.818 12.231 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 -10.476 -5.104 -3.118 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 -3.035 -1.713 0.302 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 -3.868 -0.286 3.286 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 -5.928 3.170 7.276 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 8.111 -7.126 0.056 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 3.958 21.432 -24.494 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 15.288 -0.127 24.961 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 -3.265 8.652 -5.823 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 13.597 23.300 20.008 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 3.592 18.463 12.369 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 -1.916 3.843 3.051 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 0.369 -21.957 -5.063 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 16.833 -6.642 -17.918 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 -5.016 0.344 5.825 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 10.146 14.059 16.329 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 15.094 9.569 7.680 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 -2.617 -0.955 -1.612 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 -9.680 28.565 -9.864 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 -9.250 -11.455 10.470 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 3.601 -1.578 -1.205 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 -5.108 4.961 -0.662 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 -14.158 -0.271 -0.821 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 -0.355 5.120 2.777 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 -0.670 2.097 6.763 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 0.569 1.578 -0.547 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 -1.662 -1.089 1.872 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 -10.377 6.251 10.662 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 3.212 9.075 -7.511 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 0.019 0.722 -4.412 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 -3.583 3.647 -6.175 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 14.672 -3.782 0.761 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 1.066 3.639 2.359 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 -5.185 23.243 -38.251 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 5.934 15.433 -11.107 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 2.591 7.820 1.728 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 18.254 1.986 13.316 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 -8.399 -7.068 -5.042 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 1.868 -3.262 -3.529 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 -0.151 10.368 -6.763 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 2.770 -4.256 -3.543 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 -1.603 -0.645 -0.234 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 25.540 -2.205 1.154 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 -9.475 -13.219 -4.422 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 -7.230 8.075 2.602 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 -2.713 7.934 -7.636 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 -10.914 12.281 10.385 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 4.105 -5.381 -4.234 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 11.154 -8.958 0.418 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 2.019 5.349 -4.908 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 1.540 6.323 -2.784 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 28.442 -20.468 2.416 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 -5.128 -6.206 1.520 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 4.810 0.477 -2.232 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 3.414 -0.994 -4.093 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 -12.637 -7.929 -20.847 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 2.771 -0.061 -2.528 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 2.658 -7.967 -12.633 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 15.599 7.415 17.155 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 6.029 3.778 -2.466 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 -2.106 -0.174 -6.861 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 6.533 0.191 0.195 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 3.846 4.528 7.267 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 15.900 14.501 -1.133 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 6.874 -2.130 7.540 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 -3.128 -1.549 -4.957 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 -0.084 -1.111 -15.475 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 -5.631 -11.641 -3.095 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 -3.060 -3.018 -0.265 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 -3.893 8.597 1.751 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 5.878 -17.562 7.337 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 -2.780 1.216 0.423 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 5.405 -8.872 13.411 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 2.298 7.924 0.819 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 -3.570 -7.993 -7.115 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 13.845 -2.742 -46.703 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 15.493 -21.254 7.227 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 0.328 -1.387 -4.249 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 -3.755 2.089 -4.129 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 8.691 -6.320 -4.126 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 -0.240 4.562 0.709 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 4.009 -1.195 22.143 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 -8.632 -25.758 -11.718 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 -6.361 -1.962 5.138 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 10.190 6.843 -7.706 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 -24.200 -3.987 -0.451 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 -5.948 3.227 6.286 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 -9.721 -0.749 -11.288 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 -19.809 8.074 16.206 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 -1.357 -0.145 -2.727 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 -34.270 12.275 -25.412 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 14.228 6.980 -12.591 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 -5.583 -0.670 9.456 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 2.233 22.507 15.451 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 13.165 -14.315 28.132 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 -4.301 -0.954 5.229 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 -8.438 -41.319 10.604 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 -6.233 12.401 8.283 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 -1.936 0.477 -8.525 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 6.424 0.574 -9.880 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 1.278 0.237 -2.719 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 -3.703 -10.844 -5.831 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 7.940 -15.034 10.347 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 -12.555 2.406 -28.397 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 7.967 7.907 -0.971 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 1.078 12.322 9.469 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 5.459 5.857 1.489 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 -12.462 -3.375 -1.897 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 -6.847 0.563 -1.635 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 -14.476 -6.537 -4.284 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 0.064 -6.585 -4.747 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 -0.894 -4.957 -29.088 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 -4.655 -9.331 6.238 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 1.457 1.825 -1.706 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 23.569 18.884 7.058 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 6.065 6.313 0.375 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 4.106 7.133 4.323 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 16.873 -2.092 3.713 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 13.656 -9.936 9.253 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 4.507 -1.724 7.197 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 26.273 10.333 1.469 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 -8.044 22.905 17.094 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 -0.951 -6.192 2.071 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 17.412 -5.728 15.198 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 -17.982 -7.252 4.890 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 3.573 -0.207 2.494 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 19.295 -8.870 -6.224 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 14.845 -5.816 0.952 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 5.485 -4.503 4.462 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 1.975 -4.786 4.511 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 29.384 0.099 10.638 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 -1.613 5.834 4.108 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 -0.645 -4.443 2.417 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 -12.496 7.575 1.315 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 -0.485 -6.305 3.391 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 -4.267 9.393 5.820 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 12.269 -3.952 -9.738 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 1.566 1.260 2.828 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 14.506 -5.497 -2.559 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 -8.977 -4.063 -6.877 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 -1.736 -8.076 1.545 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 -9.236 -9.051 -16.554 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 0.897 7.401 -4.155 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 3.517 -2.412 5.754 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 -9.834 -2.705 10.611 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 2.184 7.466 -20.623 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 2.691 2.499 3.917 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 -4.765 2.891 7.077 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 8.489 -17.137 -9.462 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 1.838 1.005 -3.209 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 -14.556 -4.545 8.211 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 -4.349 -5.833 -9.958 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 -0.963 0.508 -1.014 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 -3.386 2.068 36.507 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 -5.585 16.098 3.167 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 0.233 -5.026 -1.242 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 -12.328 0.273 -9.857 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 -14.477 2.886 -11.915 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 -2.117 5.362 1.617 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 -4.744 5.967 0.267 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 -0.393 3.224 0.927 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 5.539 -0.357 0.210 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 8.255 -0.353 4.155 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 5.207 0.305 -0.300 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 -4.521 7.505 3.500 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 13.920 7.966 16.729 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 -9.356 4.338 -10.600 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 4.524 1.012 6.226 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 -18.373 -17.062 10.873 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 -4.748 -8.759 -20.415 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 4.149 -1.188 -0.962 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 -17.662 -1.813 3.760 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 -6.004 -24.415 2.171 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 -5.702 -0.385 -4.168 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 -9.633 2.135 -7.449 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 -9.707 -9.484 -16.701 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 -7.831 -0.885 1.578 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 11.498 1.243 -12.175 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 0.471 -2.229 -3.319 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 -0.328 -1.234 2.889 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 6.098 -4.309 -0.981 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 -6.775 -1.191 -2.926 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 4.593 -0.160 -7.367 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 -1.500 -20.518 -22.680 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 9.139 6.768 6.188 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 -4.626 -8.086 4.436 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 -3.466 -34.116 -2.670 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 -5.173 3.169 8.484 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 1.526 2.418 -1.795 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 -9.111 9.864 19.393 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 -7.686 -6.314 -13.145 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 -6.042 5.247 -6.708 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 -9.164 0.836 16.139 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 -4.779 6.374 -4.268 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 0.046 -1.840 -3.636 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 2.277 -6.108 7.654 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 0.655 5.906 -2.187 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 0.648 2.305 -5.439 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 7.668 24.624 -16.241 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 -0.754 -9.864 -13.133 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 7.638 4.566 0.250 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 -2.550 -10.069 8.778 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 6.933 0.083 2.417 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 -0.667 0.098 0.548 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 -10.367 -13.399 -9.158 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 10.805 8.463 -13.813 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 5.200 -3.073 3.474 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 33.307 23.723 21.179 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 -20.624 -33.562 -2.723 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 3.013 1.315 3.760 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 9.490 2.450 -5.671 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 6.624 -9.060 9.275 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 2.056 1.736 -2.698 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 34.517 -13.423 -8.176 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 9.418 11.228 22.318 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 0.217 -2.084 -3.014 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 6.452 4.220 -9.285 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 12.556 -10.836 -12.469 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 1.128 -3.104 -0.052 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 12.075 3.400 -8.654 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 -20.310 1.818 16.236 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 -8.412 -2.477 2.751 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 -15.331 3.569 12.474 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 -11.747 -5.550 6.767 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 6.203 -5.621 -2.076 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 7.341 -0.003 -17.765 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 -8.628 -12.077 3.725 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 -1.078 2.284 -3.182 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 -1.702 11.086 0.465 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 -8.268 -5.945 1.128 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 1.863 0.463 -2.097 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 -3.201 -3.626 5.332 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 6.068 9.607 1.975 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 6.004 -0.668 1.852 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 4.217 -4.524 4.919 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 5.165 -5.408 2.891 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 10.329 2.743 -2.648 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 3.540 6.040 -6.475 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 4.829 4.452 -3.615 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 -6.729 0.742 5.406 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 0.951 12.123 -6.876 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 4.668 -12.830 6.190 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 1.585 4.874 -6.690 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 6.401 17.137 -28.863 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 19.919 -5.597 1.810 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 -0.949 -0.336 -1.762 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 7.994 12.955 -6.468 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 -10.781 -0.648 -11.934 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 5.131 3.603 -5.110 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 -1.927 9.321 -6.279 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 17.322 8.935 4.855 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 3.364 3.062 -7.990 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 -0.865 1.581 -18.283 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 7.908 -11.550 -11.269 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 3.486 -0.178 0.750 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 0.516 6.495 16.795 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 17.178 1.733 1.273 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 1.276 -7.529 2.396 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 11.607 5.335 3.060 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 1.542 -2.953 -8.502 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 9.039 4.779 2.069 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 -1.249 3.039 -6.376 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 13.898 2.071 14.892 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 3.601 5.939 1.107 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 -10.842 -1.198 11.050 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 7.118 -9.945 2.977 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 2.950 7.496 1.186 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 11.896 6.064 11.581 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 11.170 5.032 -9.391 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 1.607 -3.685 3.349 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 1.794 -20.688 9.439 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 0.366 4.972 -2.157 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 -1.330 -1.278 -0.798 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 -2.655 -1.948 0.653 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 4.150 -2.550 -3.430 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 -9.554 5.235 3.273 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 1.362 6.430 -14.938 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 3.143 2.223 19.125 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 -4.481 -4.626 -3.687 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 21.521 2.716 -5.338 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 -41.581 -0.750 -16.178 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 -6.920 3.391 4.814 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 13.147 15.443 0.949 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 -6.946 5.445 -1.940 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 1.011 4.525 -1.323 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 -2.747 17.861 8.552 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 -10.603 -2.386 -25.662 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 3.563 -0.562 6.319 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 -2.211 -13.134 15.624 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 -8.961 18.536 13.622 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 -4.879 1.004 -4.410 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 2.950 -16.508 -2.239 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 -7.023 -7.301 -12.207 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 6.477 -10.264 3.521 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 2.355 -15.755 -2.284 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 2.083 -12.202 0.772 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 3.514 -1.043 -1.277 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 -8.294 4.957 0.208 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 14.999 -2.849 -5.474 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 -2.652 8.326 -2.613 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 -9.310 23.688 7.402 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 5.711 3.955 22.614 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 5.980 -1.500 -3.873 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 14.933 3.098 -0.541 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 -4.598 -11.424 -9.368 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 -1.618 -7.511 -4.820 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 3.947 5.311 -10.844 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 1.073 -4.691 -11.604 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 3.075 -1.218 -3.005 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 10.531 0.366 9.682 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 -4.074 2.466 -2.326 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 -0.758 4.859 -4.504 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 8.807 12.281 -8.188 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 0.918 -16.478 6.567 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 -3.798 3.678 0.952 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 -15.530 -4.888 30.749 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 -1.614 3.954 -9.538 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 2.768 -8.355 2.249 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 4.663 19.552 8.762 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 -13.511 -0.156 17.315 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 -0.542 -8.091 -3.078 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 -2.318 -4.243 2.106 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 -6.977 -14.497 -5.302 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 -4.730 -4.550 -3.838 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 -9.324 -14.349 -10.118 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 -1.393 -22.397 -22.167 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 -4.488 2.623 0.787 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 -0.493 4.515 -0.658 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 -5.708 -6.301 11.932 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 7.266 7.737 -6.227 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 -19.233 -7.135 5.477 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 14.484 -5.514 -12.819 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 2.928 3.434 -5.054 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 -12.104 9.253 7.310 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 -9.739 6.767 -5.944 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 0.787 0.494 8.565 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 24.375 9.347 -7.877 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 10.992 -2.676 1.399 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 -1.171 0.178 0.612 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 4.088 -6.330 -18.272 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 -3.428 -18.928 13.695 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 -0.492 -4.102 -0.461 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 12.016 -3.540 -1.486 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 -8.936 -8.492 -4.336 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 1.788 -3.730 -2.350 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 10.427 -3.304 -0.993 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 5.374 -3.796 -4.503 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 1.741 -0.939 0.060 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 8.795 2.755 -8.238 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 -3.713 9.358 13.128 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 10.498 -0.573 1.027 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 6.827 5.786 2.409 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 12.927 11.999 5.799 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 -2.901 0.986 -4.134 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 -5.102 -6.653 -4.236 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 3.534 3.964 -0.785 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 -0.352 -4.107 -0.138 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 -11.696 -0.264 -10.421 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 0.689 -2.389 -2.615 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 -0.494 -1.346 -3.479 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 15.960 -16.807 -2.733 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 -8.895 15.673 -21.617 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 2.748 -4.016 -3.857 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 -1.344 -5.493 1.758 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 3.858 -5.855 -5.544 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 -2.402 5.020 -2.649 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 1.454 1.831 -1.953 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 27.584 7.992 -1.734 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 0.898 2.510 -0.542 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 8.124 -10.617 1.014 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 4.539 -7.988 32.761 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 -6.783 -2.204 2.230 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 3.162 11.953 -13.634 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 -6.379 0.404 11.269 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 2.211 -1.174 6.341 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 3.001 -1.656 12.623 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 -10.815 -0.391 7.402 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 -3.351 1.784 4.248 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 6.428 2.550 40.407 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 9.879 32.637 -9.174 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 -1.979 0.076 1.647 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 -12.164 -28.175 -12.497 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 9.052 12.116 14.014 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 -7.733 -2.455 2.063 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 -9.775 1.399 -7.664 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 -14.225 4.378 -1.213 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 4.186 -2.077 -1.050 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 -13.788 -0.006 -1.532 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 8.485 6.107 14.222 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 -2.968 2.421 -2.308 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 -6.880 -1.486 1.607 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 -4.796 8.875 3.428 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 1.192 1.380 0.422 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 16.973 -0.935 1.088 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 -4.780 -5.997 11.647 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 -9.494 -8.369 5.704 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 -12.575 -5.185 -10.292 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 -13.856 -1.481 1.714 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 -3.221 2.690 3.311 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 18.005 11.934 -4.878 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 3.063 6.429 -1.549 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 -1.118 -8.758 -0.664 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 -11.271 -5.693 -17.998 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 -7.161 -5.225 -8.413 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 -6.583 6.294 3.355 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 -25.183 2.408 -4.753 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 -3.576 25.561 -2.326 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 0.636 -2.570 4.872 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 -0.059 0.576 5.779 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 6.668 0.207 -1.709 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 -0.824 -1.562 4.319 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 21.740 -10.134 27.235 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 -11.173 7.291 -9.595 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 -1.483 1.073 -0.341 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 -5.472 1.513 -5.555 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 -8.287 -9.689 5.446 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 -3.253 -2.662 0.767 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 -3.579 -13.261 -2.679 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 -5.692 -7.897 -0.857 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 4.502 1.906 1.635 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 7.599 -11.267 3.251 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 6.737 -7.371 2.828 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 2.270 -2.087 10.563 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 -4.561 1.586 16.647 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 0.751 1.607 6.009 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 1.461 -2.551 3.084 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 -0.007 17.325 3.242 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 -2.168 -19.275 -7.483 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 3.883 -1.346 -5.831 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 3.011 -7.060 -6.035 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 -2.536 1.393 -9.914 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 1.901 1.151 -4.783 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 -6.977 6.775 0.750 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 41.475 -8.820 -0.781 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 -3.343 2.177 1.898 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 5.200 -5.150 23.537 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 -3.009 7.116 -19.681 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 2.163 1.516 -1.706 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 4.269 12.010 -8.940 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 10.940 2.651 1.698 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 -3.002 3.855 -1.981 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 5.761 -1.489 12.063 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 -22.261 1.949 -27.178 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 -0.406 -1.952 -1.699 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 -3.759 8.470 3.732 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 -0.080 -6.762 5.895 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 -3.615 3.850 0.599 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 -17.774 -3.381 5.573 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 11.024 -6.717 -21.813 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 -3.575 0.859 -3.130 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 -17.081 13.784 1.889 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 16.955 -0.963 -9.199 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 4.184 -1.376 -1.029 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 9.496 -13.901 10.462 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 -9.907 -8.740 -7.637 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 0.477 -2.275 0.340 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 8.899 9.776 -1.421 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 -1.033 -5.483 -0.212 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 1.853 3.050 4.438 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 9.730 -2.740 14.797 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 -1.529 4.307 18.017 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 3.275 8.346 -1.666 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 -4.362 -11.696 -13.384 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 20.917 9.082 -20.576 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 -8.605 -4.402 -4.736 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 -6.778 10.186 -1.220 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 -4.156 -1.069 -4.479 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 -0.807 -3.946 -4.124 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 9.269 17.612 13.555 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 3.325 28.581 -9.764 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 -0.127 -0.593 -4.904 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 16.087 -2.350 3.743 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 5.096 9.516 -11.468 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 -4.122 0.878 0.755 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 -3.552 -7.423 -2.394 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 -4.229 8.881 -3.517 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 -3.602 -3.440 -0.496 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 -4.823 -6.337 -6.248 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 -2.093 3.634 -2.103 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 -3.778 -5.029 1.991 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 -6.885 2.474 -10.320 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 -3.025 -21.482 7.873 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 3.573 2.113 1.557 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 6.829 8.338 3.304 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 5.248 2.837 -5.246 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 5.120 2.776 -2.421 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 1.927 -10.623 2.375 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 7.745 14.368 -8.367 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 -2.991 3.212 -0.084 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 19.509 -0.108 -3.585 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 -11.014 12.090 -13.441 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 -1.817 3.541 4.537 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 -16.896 4.895 4.671 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 -2.507 6.984 -5.413 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 0.696 3.878 -0.792 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 5.354 -11.222 8.490 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 17.363 10.795 -14.520 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 -0.964 1.118 -0.477 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 8.730 6.046 10.873 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 -11.400 -11.109 7.285 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 2.381 -1.670 1.795 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 11.408 30.746 -10.383 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 -6.942 -17.103 -6.531 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 3.544 -1.045 0.606 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 7.638 -9.403 6.445 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 1.413 -5.260 -7.265 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 4.676 7.824 -0.198 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 -2.809 6.596 -12.281 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 -1.432 10.488 -9.986 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 -1.565 -3.795 2.502 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 8.166 9.366 1.598 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 -2.422 6.774 17.513 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 -1.704 -5.889 3.125 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 -2.044 -25.183 14.297 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 -0.445 14.120 -2.999 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 2.700 -2.510 -2.102 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 20.433 -3.798 -2.795 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 5.566 -6.802 23.279 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 -0.056 -0.731 -4.309 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 39.464 6.462 -4.757 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 -18.214 0.034 8.435 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 -1.368 1.782 -3.584 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 -2.006 -0.144 18.370 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 -1.079 4.445 -1.656 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 -2.395 2.886 -6.198 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 -1.222 -0.289 4.572 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 7.393 6.834 5.095 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 4.122 -6.924 5.554 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 -4.808 3.241 13.961 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 -11.756 -7.242 10.882 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 0.023 1.876 5.433 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 -23.578 -4.130 14.684 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 -4.749 21.024 -4.229 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 4.885 -0.536 -0.504 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 -15.974 -22.400 14.167 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 1.256 12.590 -3.474 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 -5.393 1.482 -0.325 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 -4.539 -13.254 -1.700 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 -6.014 7.581 19.693 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 0.214 -6.763 -2.689 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 7.105 5.177 -4.489 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 -6.708 -12.185 -1.151 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 -7.346 4.773 1.714 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 -2.668 12.096 -3.080 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 -4.463 6.175 -35.189 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 -5.803 -3.595 2.574 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 28.917 -1.232 -0.707 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 -10.365 0.978 -9.248 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 5.620 6.894 -6.759 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 -9.739 20.310 7.035 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 4.564 16.134 -5.332 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 -6.728 5.566 5.080 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 0.371 -14.939 9.305 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 -26.313 2.289 -11.966 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 -1.206 4.905 -1.247 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 10.154 0.387 4.585 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 17.082 -6.052 5.272 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 2.283 -1.932 -3.945 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 3.100 -6.334 6.888 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 3.140 -14.114 -11.245 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 -5.052 4.201 1.790 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 16.446 1.660 3.943 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 1.928 -8.484 7.445 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 0.331 1.680 -4.835 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 -10.652 4.455 1.617 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 8.764 0.578 5.324 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 2.545 -0.772 -1.366 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 5.709 -15.158 8.301 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 -3.337 6.442 4.795 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 -1.083 -1.679 1.172 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 -10.972 -11.031 -1.639 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 -27.150 -14.393 26.736 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 -0.452 -3.924 -3.785 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 -3.631 -1.676 -7.048 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 -9.827 -2.761 -13.117 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 -2.200 2.866 2.726 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 -1.329 -9.624 -5.095 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 -12.864 9.397 0.508 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 1.687 0.583 1.271 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 11.838 -18.036 19.454 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 -1.709 6.242 -2.271 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 -4.776 2.640 -9.030 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 4.535 7.877 12.419 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 -3.614 -1.748 6.403 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 1.399 9.724 0.118 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 -14.064 23.240 9.882 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 17.381 -4.279 -9.892 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 -3.667 -0.334 -7.156 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 -5.526 1.406 9.378 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 10.963 3.055 -6.717 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 0.185 4.010 1.134 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 3.312 -0.999 5.155 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 -11.197 18.016 16.841 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 -9.515 3.150 2.985 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 12.152 6.005 -13.005 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 -11.211 24.587 6.791 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 4.450 1.656 1.356 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 -18.166 14.394 -3.043 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 9.052 4.715 29.932 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 -3.996 4.179 -3.287 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 10.765 1.344 -2.200 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 -6.887 11.562 -7.775 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 -3.535 6.887 -6.082 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 -4.733 3.147 5.154 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 -10.436 -5.903 -14.502 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 1.314 4.635 -4.442 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 -15.829 -0.020 -21.887 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 -6.325 9.444 0.836 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 3.418 3.575 -4.110 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 0.365 11.422 -30.202 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 -3.004 7.642 -3.086 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 -4.267 0.918 -2.576 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 -7.174 12.027 0.247 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 1.068 -9.915 -0.101 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 -0.322 -4.381 -0.626 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 0.132 11.546 3.470 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 -2.313 -13.640 13.270 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 2.464 -2.694 -9.644 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 17.977 -2.647 -9.329 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 1.664 -6.029 -1.363 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 1.290 -7.450 2.372 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 7.855 10.417 -1.036 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 9.194 -20.919 0.870 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 -6.087 1.864 -4.265 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 3.002 6.332 -27.151 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 -10.903 -0.645 8.808 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 -1.749 -0.985 -0.320 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 6.946 -9.738 -3.611 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 4.575 14.173 -6.954 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 -3.026 -8.558 6.736 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 -1.475 -9.701 7.449 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 -11.616 0.101 -2.362 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 4.192 4.083 -2.737 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 1.095 -9.827 -6.161 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 4.083 4.288 1.864 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 2.503 -0.263 -3.553 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 -0.613 9.512 -10.156 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 2.529 -2.230 -3.635 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 4.834 1.511 -4.619 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 12.666 -6.299 10.816 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 0.602 -2.840 11.352 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 1.297 3.157 -0.538 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 -3.652 13.463 -8.610 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 -4.616 1.178 0.507 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 1.387 -5.179 5.618 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 21.720 -3.212 -4.715 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 -10.838 6.827 -18.679 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 8.556 -4.396 2.191 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 2.805 17.970 -4.491 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 13.490 6.457 -11.747 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 3.212 2.216 -5.544 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 -14.072 -15.410 -0.683 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 -4.414 12.480 23.107 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 -1.582 -4.532 -0.521 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 -5.402 -4.540 10.179 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 -1.055 -9.722 5.471 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 2.109 -0.148 6.777 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 5.710 1.447 4.366 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 10.664 -2.265 -0.153 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 -0.988 -1.684 -6.511 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 -18.499 6.206 10.477 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 -17.206 -2.673 -1.875 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 -13.099 -3.433 6.031 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 -14.500 -4.815 8.175 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 -0.232 -14.868 15.686 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 5.390 4.717 3.756 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 6.180 6.998 4.807 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 7.637 8.753 -10.918 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 2.218 2.247 5.061 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 17.947 -25.681 19.578 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 -8.775 8.358 -12.140 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 2.903 6.152 -4.899 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 -9.677 -4.888 7.753 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 -24.044 -19.912 28.115 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 5.415 0.772 -6.131 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 -6.230 5.110 -6.129 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 6.375 -2.444 -15.023 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 1.497 0.024 1.435 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 9.811 0.586 14.716 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 -1.906 1.545 -5.320 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 -1.116 6.858 0.809 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 3.288 -27.563 -6.150 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 -34.553 11.217 -1.765 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 -3.019 -3.086 -2.077 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 0.752 6.395 12.798 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 -8.791 6.457 -7.394 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 1.446 0.924 -1.527 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 -0.265 6.725 -6.527 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 -22.763 -3.277 4.892 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 -9.030 -1.480 0.695 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 11.356 4.359 -8.636 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 10.831 -0.702 -5.536 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 -8.123 1.300 2.224 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 -2.747 15.602 -0.871 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 -8.547 -11.785 2.397 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 7.460 -4.688 0.551 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 14.794 -13.074 -1.176 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 -4.507 6.763 1.695 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 -0.050 5.206 0.387 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 -7.143 19.101 -0.636 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 14.073 10.140 7.319 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 5.708 -2.801 -2.236 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 10.346 -8.185 1.537 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 -2.498 2.428 9.603 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 -1.581 4.783 -5.913 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 -4.476 5.936 -4.752 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 5.752 -4.883 -4.925 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 -4.988 -3.678 -0.936 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 -11.497 -6.691 11.670 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 -6.413 -4.689 -12.147 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 1.388 -0.701 -3.896 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 7.607 -2.412 6.269 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 -1.938 11.035 -14.362 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 -2.951 3.797 -1.357 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 -2.383 -0.231 -4.400 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 -2.083 6.168 0.093 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 -0.321 -1.193 -5.049 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 -9.354 6.935 12.823 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 -25.963 -16.356 -14.125 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 -2.388 0.150 3.120 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 -21.910 -10.284 -4.215 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 -13.319 19.066 10.154 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 2.262 -0.415 -1.168 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 -3.857 -0.404 -2.396 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 14.636 2.185 6.878 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 -1.475 -5.915 -0.150 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 0.381 1.263 -7.889 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 6.445 -8.390 4.239 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 3.974 -6.687 -2.717 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 -8.496 0.339 0.009 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 17.610 -5.359 -9.203 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 0.444 -4.398 7.134 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 2.748 -3.957 9.007 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 -12.279 -4.615 -3.178 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 0.570 2.448 1.884 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 7.470 -13.309 -0.423 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 -5.454 -4.223 -10.960 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 -0.642 -0.665 0.941 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 9.815 -11.016 2.313 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 -0.510 13.198 7.253 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 3.760 0.330 0.612 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 -9.142 -1.614 6.764 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 2.314 23.728 11.594 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 5.453 1.153 6.056 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 14.015 -1.357 3.208 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 5.451 0.448 4.815 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 -0.306 -0.174 2.166 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 -5.177 -3.699 -6.155 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 -6.114 -1.803 -4.179 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 1.551 0.917 2.650 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 -12.948 13.261 13.410 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 -7.786 -16.940 -24.962 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 0.782 3.627 4.914 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 -3.789 1.638 5.764 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 9.567 2.387 4.200 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 7.701 6.192 -7.776 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 -6.881 -6.631 25.349 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 -6.595 -10.213 -2.421 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 -0.820 5.190 4.025 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 6.317 -6.469 -4.693 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 -27.284 5.649 -11.924 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 -5.428 4.763 -1.609 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 0.382 4.270 1.139 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 1.438 2.889 -4.244 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 2.563 0.722 -1.224 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 -9.014 10.179 -10.086 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 9.552 -13.022 -11.621 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 -0.558 3.375 -9.088 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 -11.362 -1.113 5.260 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 6.463 -33.966 -1.656 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 -0.060 -1.144 -0.814 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 -3.881 7.547 4.759 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 -1.133 -12.730 1.654 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 3.446 3.105 0.411 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 11.342 11.931 -2.909 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 -2.894 6.104 5.345 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 -0.123 -4.158 -5.330 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 -10.428 9.945 -15.753 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 1.673 5.514 8.134 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 -0.577 -6.064 0.589 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 -3.899 -0.911 4.238 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 -12.594 3.268 12.525 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 -5.567 4.820 -1.562 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 -7.571 0.253 12.986 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 12.215 -2.241 -11.643 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 0.380 0.030 -4.352 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 24.250 1.421 17.779 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 -9.219 -0.591 -1.298 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 0.904 2.160 -2.835 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 -5.752 3.922 -1.335 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 8.126 -8.148 -9.566 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 -1.182 -2.626 -1.753 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 -1.491 -0.655 -14.460 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 -2.160 -6.524 6.164 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 4.360 -0.818 -3.447 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 -0.178 -20.419 7.091 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 14.262 1.121 13.836 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 9.282 -0.361 -1.777 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 24.171 16.432 -3.408 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 19.342 20.423 -17.268 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 -0.430 0.576 -3.332 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 -2.686 -2.515 -31.491 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 19.279 3.562 8.526 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 2.418 -3.433 -1.907 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 -2.526 0.885 0.955 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 -7.966 0.020 0.518 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 0.709 2.360 3.189 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 16.538 14.247 -6.236 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 -2.929 -7.098 -2.928 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 -5.741 0.464 1.884 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 14.741 4.446 -12.658 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -1.719 19.944 20.017 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 -5.973 -6.892 -0.457 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 -8.119 -2.822 -7.878 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 9.520 -27.385 10.644 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 2.034 -0.963 10.702 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 -1.969 -3.938 1.503 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 -0.770 -0.098 7.772 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 -3.658 -3.671 -1.281 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 -6.958 -1.535 -3.586 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 -2.144 -4.735 0.997 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 8.338 0.518 -1.786 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 6.467 2.759 -17.792 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 1.456 -10.380 -11.311 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 0.235 -0.099 -3.874 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 13.331 -1.328 -1.231 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 -23.283 0.524 0.981 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 -1.530 -4.812 0.757 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 6.626 -4.924 -9.409 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 4.480 -20.709 -8.400 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 2.483 3.706 -6.744 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 -4.531 14.082 1.562 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 6.966 5.545 -6.282 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 4.821 -4.300 2.388 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 -9.911 -26.096 -9.540 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 6.859 -10.340 -5.497 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 -0.420 11.673 -1.193 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 4.867 11.038 0.476 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 -6.390 9.650 -1.341 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 -0.928 -9.322 -1.203 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 -5.510 -31.631 4.005 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 -10.734 -2.240 -12.168 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 -4.413 -1.735 -8.002 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 3.968 -8.686 5.257 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 -14.531 3.760 4.730 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 2.560 -2.360 0.496 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 9.013 -1.211 -3.488 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 -9.876 -4.215 6.717 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 0.987 -1.552 -4.820 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 0.998 -16.545 27.856 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 0.740 3.244 -17.267 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 2.587 5.569 4.460 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 1.691 4.594 0.373 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 2.340 0.401 18.735 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 2.407 -6.749 0.345 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 6.993 -1.796 -12.823 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 2.827 -14.022 6.280 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 -1.878 -3.589 4.633 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 14.908 -15.689 0.616 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 6.077 15.216 6.601 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 3.877 1.506 3.695 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 -8.567 -1.990 -1.758 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 -5.756 -3.853 -12.359 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 -3.000 4.496 -4.162 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 -4.706 -1.530 0.661 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 -13.922 -33.351 19.110 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 -0.786 3.762 -1.107 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 7.119 9.801 7.022 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 4.124 -2.897 -3.983 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 -1.141 -4.639 -4.963 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 -15.414 -7.482 -3.253 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 7.238 -9.654 -6.505 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 4.607 -3.566 -1.947 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 -4.206 10.762 -7.160 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 -4.464 -8.785 10.692 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 -0.898 3.870 2.657 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 -12.052 12.630 5.301 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 7.639 6.104 21.229 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 2.202 0.511 5.882 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 -6.364 -0.714 9.536 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 2.358 16.768 8.688 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 -0.958 6.414 -5.293 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 10.175 2.365 12.607 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 7.603 6.844 -6.729 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 6.306 2.237 5.690 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 3.522 0.497 -15.350 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 13.362 -3.654 -10.946 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 -3.049 -2.385 -0.360 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 -11.785 -18.396 24.607 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 3.254 17.476 -7.123 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 -2.389 5.445 -1.904 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 13.681 3.534 -0.718 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 -0.206 -7.718 5.264 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 0.636 -6.883 0.022 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 -25.038 10.259 18.192 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 14.017 -12.757 -4.688 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 6.926 -2.544 7.377 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 -1.833 4.794 4.459 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 11.335 1.037 5.392 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 -2.633 -0.293 -7.426 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 -14.476 9.098 -14.793 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 -6.573 -10.653 -25.546 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 -0.502 -1.179 -0.605 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 -6.691 -1.561 7.372 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 10.306 -4.746 -18.477 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 -4.366 0.681 3.649 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 4.413 -9.384 6.496 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 5.710 7.609 -4.573 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 3.280 5.525 0.317 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 -26.584 5.166 -0.248 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 -19.981 12.189 9.112 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 -0.857 3.824 5.011 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 -1.911 -2.918 0.925 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 1.560 8.057 -0.627 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 0.680 -1.753 -2.902 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 -9.006 -1.844 4.066 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 1.576 -3.169 -12.330 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 -2.622 -15.176 -0.782 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 -2.249 -23.733 -2.727 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 -10.787 6.947 3.164 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 -0.101 1.703 -2.224 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 -5.678 -32.362 -7.603 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 3.689 -13.299 5.695 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 -6.135 -2.731 2.591 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 -9.811 -11.946 7.229 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 -11.620 2.465 -7.759 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 4.584 -1.428 3.692 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 9.684 -7.653 5.260 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 9.475 -9.953 3.994 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 -3.846 1.697 -2.617 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 8.237 10.359 -16.407 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 -19.348 20.598 0.644 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 -0.581 2.731 -2.329 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 -18.268 -20.130 15.432 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 6.174 3.652 -16.999 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 0.684 -1.560 1.237 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 19.502 4.905 9.833 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 -6.180 28.103 23.740 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 -7.773 6.025 2.349 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 3.332 5.661 -17.074 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 10.407 5.429 -13.659 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 0.063 0.212 -6.901 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 -9.122 14.395 -14.091 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 -11.766 -7.996 22.449 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 0.267 -0.647 -0.421 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 22.372 5.456 -1.129 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 -15.964 8.015 -6.106 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 0.668 0.721 -1.510 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 4.918 12.783 -6.498 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 5.990 -1.756 10.088 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 -1.030 7.183 -3.320 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 4.343 11.705 -6.431 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 -13.622 -1.933 -4.299 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 -4.579 5.946 1.669 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 -3.142 7.687 2.288 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 -2.815 5.206 -4.658 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 -0.084 2.978 -0.126 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 -7.339 0.249 0.997 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 2.089 12.530 -18.775 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 -0.174 -4.896 -2.940 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 -2.647 14.850 1.069 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 -3.175 -11.772 -11.574 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 -1.372 0.069 1.495 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 -6.069 21.766 -2.735 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 9.885 -6.975 2.112 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 3.376 -2.758 -0.856 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 14.282 -2.361 -1.030 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 0.501 -0.440 -5.065 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 0.263 -1.110 2.457 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 3.788 -36.723 1.091 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 9.520 -9.392 14.955 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 -3.162 -4.133 -2.211 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 -6.948 -0.093 7.789 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 0.875 0.828 -10.121 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 5.618 0.503 -0.195 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 17.893 15.036 23.011 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 2.340 -4.651 8.333 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 -2.652 4.643 -1.338 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 -7.561 3.759 1.049 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 17.271 8.315 -5.785 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 0.472 9.914 1.897 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 -3.874 17.622 1.064 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 7.223 7.480 8.265 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 -5.874 2.522 4.061 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 -7.019 -5.803 1.846 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 -2.837 28.364 -19.361 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 -1.909 -0.828 0.183 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 -5.759 -9.395 1.790 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 5.787 -0.495 -17.280 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 2.421 -1.055 -1.760 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 11.263 7.696 -5.297 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 4.874 1.067 -3.697 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 -4.142 -1.532 3.288 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 -32.857 5.115 5.651 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 -5.728 -6.598 14.336 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 1.478 1.411 1.527 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 8.877 25.387 -14.625 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 8.720 8.787 -0.186 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 2.923 3.703 -3.845 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 -6.856 2.058 -6.013 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 -1.232 -1.252 7.430 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 -2.990 4.498 2.560 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 -13.745 -8.619 -2.393 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 -1.810 -11.404 12.506 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 2.984 9.539 3.513 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 -4.763 -9.356 -6.461 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 20.148 16.475 -13.991 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 1.582 0.542 2.061 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 -18.904 4.395 -13.302 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 -3.094 -16.751 13.836 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 -2.840 4.798 -7.260 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 -14.136 13.834 -23.686 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 3.042 7.417 -5.271 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 1.428 1.893 3.044 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 9.336 4.973 -9.834 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 -4.990 12.310 -0.371 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 4.059 -1.040 -0.082 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 22.831 6.635 -3.861 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 -3.562 -5.089 -5.205 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 3.418 -2.294 -1.618 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 21.428 -8.626 -0.804 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 10.178 10.603 -33.952 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 0.820 4.604 -0.628 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 -8.583 2.601 -4.370 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 1.212 6.110 -2.999 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 -0.447 4.198 -5.102 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 25.037 -15.928 -6.931 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 -32.720 10.729 -23.535 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 4.233 -2.623 3.187 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 3.832 14.159 22.702 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 14.705 -18.342 7.803 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 -9.216 -2.970 -0.021 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 0.077 1.194 -13.418 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 -16.208 -6.719 11.990 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 -2.336 3.414 0.645 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 -1.810 -3.551 -3.176 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 -5.695 -4.119 -10.220 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 0.828 0.760 -6.228 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 17.198 -10.013 -12.468 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 -16.141 2.841 -11.004 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 1.064 0.855 -9.825 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 9.948 8.791 -8.830 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 -6.430 -2.811 -6.423 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 6.884 -1.908 3.913 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 3.164 30.585 13.913 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 2.816 10.209 14.783 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 0.500 -3.144 -2.492 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 3.566 2.083 3.351 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 2.564 -12.750 -12.351 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 3.896 -2.133 -1.585 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 9.219 8.755 -21.963 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 3.267 -28.222 -4.267 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 2.298 4.311 3.937 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 3.272 28.057 -12.742 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 -14.748 9.650 -3.902 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 -0.247 -4.699 -5.108 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 -6.379 -1.893 21.101 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 -11.910 -3.276 -8.365 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 3.592 -4.830 -1.518 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 7.037 -6.963 28.972 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 6.658 6.373 -16.688 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 -0.759 -0.538 4.804 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 -0.920 7.787 -3.701 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 0.876 -0.757 19.132 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 1.304 0.647 3.038 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 0.795 5.353 4.764 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 1.280 2.389 -3.491 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 -3.662 1.632 3.166 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 5.476 6.054 11.398 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 -5.816 0.998 -0.835 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 -0.466 3.485 -0.876 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 -12.900 4.461 0.908 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 17.087 8.343 -10.546 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 -4.756 1.060 0.438 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 16.677 -10.635 8.332 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 1.183 15.822 -4.074 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 3.947 6.996 2.448 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 4.073 -23.432 8.631 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 5.638 13.176 -2.364 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 6.475 -1.195 -1.251 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 -2.025 -0.221 4.457 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 -1.395 -6.697 2.747 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 -0.588 -0.210 0.169 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 1.356 -1.867 -5.007 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 5.056 1.534 -1.684 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 -5.152 -2.323 -1.510 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 -8.358 6.654 -17.439 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 -9.590 5.493 -3.921 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 1.082 0.561 -0.881 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 -1.585 -13.103 5.506 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 -19.895 15.237 6.523 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 -2.939 -0.177 -0.622 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 -3.367 3.456 -25.143 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 -1.056 3.293 8.224 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 6.295 2.128 -0.945 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 1.358 -11.354 -22.436 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 3.406 3.574 19.819 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 4.407 5.968 0.582 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 -5.419 16.346 17.676 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 8.757 12.611 -16.442 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 2.723 5.930 4.087 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 13.313 1.753 -28.990 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 7.564 -0.947 -7.463 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 2.038 -3.160 1.382 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 15.788 -20.754 2.348 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 -10.009 -4.134 28.277 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 -0.404 -2.163 -4.689 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 -0.645 -5.075 -8.399 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 -2.962 -6.737 9.629 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 3.157 -6.006 0.705 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 8.848 -6.421 1.189 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 1.351 -6.698 5.736 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 -2.149 -4.969 1.816 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 -8.809 4.622 -2.473 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 4.372 -2.874 -1.827 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 -2.177 1.706 0.137 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 0.798 2.817 -2.272 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 -1.431 2.126 1.907 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 -0.135 6.856 -0.937 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 0.263 -1.191 -15.194 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 -11.441 10.167 4.636 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 0.947 -7.866 4.610 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 4.124 -24.507 11.120 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 -4.141 15.209 -4.736 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 2.242 2.340 1.874 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 -3.853 4.974 -15.610 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 4.927 1.554 7.274 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 -6.261 1.860 -1.038 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 3.079 -15.447 12.843 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 -9.831 -7.582 -14.181 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 1.334 -0.887 0.729 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 19.656 -0.727 5.560 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 -0.938 2.153 0.020 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 8.384 1.631 -2.805 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 2.879 -6.737 9.850 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 2.849 9.474 4.793 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 -3.754 1.759 0.262 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 0.511 -7.064 -14.695 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 -1.516 -1.817 -13.026 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 -1.741 -2.185 1.578 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 17.393 -4.648 10.786 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 -2.668 -5.072 3.177 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 -1.935 1.651 -5.542 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 24.192 29.454 7.342 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 -10.544 -1.466 7.934 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 -6.115 3.330 2.684 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 -3.767 0.334 -7.699 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 -6.957 13.767 4.329 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 4.165 -4.471 -1.913 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 2.906 -7.834 2.477 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 -29.523 -34.767 19.810 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 0.272 -5.147 2.723 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 12.284 -21.565 1.819 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 2.091 -3.322 19.422 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 -5.503 -3.663 -0.601 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 -16.522 5.023 -6.616 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 -11.597 -14.348 -2.208 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 -3.043 0.184 3.519 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 -16.953 -3.720 -6.998 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 -8.239 -5.065 1.056 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 5.039 2.075 2.131 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 0.615 11.737 -7.285 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 10.964 0.500 16.074 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 3.735 -6.304 1.832 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 -11.546 24.623 -9.338 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 -22.699 0.633 26.108 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 1.048 2.264 -7.821 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 -5.708 -5.311 -11.284 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 9.594 26.698 -10.573 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 -8.568 -0.414 -3.797 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 -11.562 -19.332 -7.211 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 -22.091 0.193 -15.352 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 -0.108 -4.104 -3.932 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 -6.132 -6.415 -3.411 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 -6.814 6.787 -2.330 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 -1.921 3.979 -2.235 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 -8.621 -15.985 -15.529 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 16.526 -17.809 -10.135 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 -2.351 6.266 -4.711 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 -10.427 2.241 6.974 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 -2.590 9.343 -14.381 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 -1.732 -3.382 0.903 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 9.974 0.890 12.093 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 13.752 -6.110 25.256 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 1.987 -0.036 0.843 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 12.349 9.702 -3.862 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 -6.634 1.557 -2.047 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 1.180 -1.238 2.396 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 3.395 11.594 18.013 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 1.120 12.939 -13.555 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 2.468 0.090 -2.635 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 -1.250 -9.022 7.532 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 2.389 -8.899 -15.625 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 -2.122 4.252 -3.807 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 1.828 -6.546 -14.876 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 -26.931 7.364 17.334 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 5.212 0.826 0.471 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 -2.889 0.568 4.569 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 10.453 -5.997 4.836 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 5.237 0.710 0.194 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 -9.685 2.728 -4.056 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 5.830 -15.158 0.551 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 -1.016 3.582 -0.551 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 -8.024 -9.388 -16.534 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 2.719 4.431 7.981 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 1.278 -4.083 3.174 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 9.355 8.851 -5.182 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 -2.111 -12.836 -6.227 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 -6.956 -1.018 1.114 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 -34.057 -4.809 0.105 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 5.537 3.664 4.085 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 -4.767 -3.502 -2.667 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 2.163 13.540 -3.098 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 6.327 -4.113 -18.895 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 -4.696 -2.550 -2.126 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 7.859 -6.520 -11.882 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 -4.274 -3.008 -5.129 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 7.510 0.684 0.199 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 8.153 5.551 3.642 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 6.160 -6.579 -0.053 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 2.391 -1.374 3.158 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 -5.638 -7.538 3.015 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 4.167 -1.584 -7.391 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 0.367 0.631 -3.683 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 9.014 11.991 5.526 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 0.373 7.593 -19.440 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 6.643 -1.521 1.630 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 -16.980 0.133 -4.778 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 33.472 -20.817 43.428 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 1.180 -0.602 1.739 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 -19.393 -29.848 24.454 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 6.249 7.119 -9.984 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 -3.308 0.896 7.623 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 -21.611 7.543 4.834 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 3.539 24.190 -1.540 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 -1.447 1.175 -3.043 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 5.926 -6.471 5.146 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 -8.932 -2.444 7.996 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 -1.349 1.899 -5.814 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 -16.052 -2.959 -3.357 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 -2.467 13.684 1.501 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 -2.174 2.538 8.345 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 -7.097 10.587 1.031 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 -9.288 -7.690 -1.611 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 0.713 -2.983 4.975 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 -11.454 -20.060 29.038 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 -5.771 24.385 11.927 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 3.279 -0.867 -1.836 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 16.286 5.003 -33.457 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 5.809 9.204 -16.871 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 -3.619 2.032 7.097 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 -2.287 2.575 9.065 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 6.890 17.733 23.804 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 5.817 3.123 -3.066 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 3.121 -2.613 -16.636 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 1.345 12.210 -9.963 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 2.052 4.076 -0.683 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 11.640 -4.365 -2.697 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 -8.019 17.217 0.026 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 -0.595 2.362 -7.822 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 27.308 -5.857 -8.535 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 -6.384 6.127 -11.415 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 -4.708 -3.780 -4.504 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 -12.683 3.362 -4.324 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 -9.473 -1.236 -0.230 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 1.086 3.191 3.964 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 13.828 20.183 15.941 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 7.262 2.633 6.728 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 -3.425 -3.479 0.997 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 -5.316 -7.484 7.063 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 -6.354 5.015 13.776 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 2.366 5.012 2.355 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 0.895 3.693 -1.661 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 17.109 1.135 25.855 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 -0.368 -3.919 5.263 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 -5.302 -9.005 7.047 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 -0.542 4.600 1.542 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 -7.590 2.820 -4.567 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 -0.170 7.637 -16.793 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 -9.207 -4.277 20.923 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 4.189 1.324 -2.322 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 6.930 -8.698 -6.350 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 -9.851 27.191 -16.170 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 -3.162 1.019 -4.984 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 2.260 0.407 -9.314 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 9.753 -1.779 -11.843 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 4.141 -1.697 -4.014 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 -26.416 2.784 0.882 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 -2.422 9.128 0.965 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 -0.997 -2.902 -1.849 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 -2.368 14.455 -8.887 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 9.203 25.954 -6.837 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 -2.393 -1.038 3.999 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 -1.015 5.635 12.295 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 -6.496 -1.801 -6.879 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 -3.376 -2.541 -2.339 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 -14.685 -19.462 -1.224 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 7.180 13.096 -0.807 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 5.219 5.992 2.079 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 29.517 -3.124 23.811 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 18.124 20.732 13.144 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 3.529 -7.900 -0.653 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 -7.521 -16.368 -6.348 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 13.603 -11.701 -5.142 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 -6.413 4.829 -3.668 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 -11.521 9.681 -11.670 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 -18.316 -1.179 -15.631 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 -3.438 5.518 -1.487 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 -6.640 7.230 -1.211 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 14.270 -7.205 1.267 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 8.111 -4.715 8.478 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 -10.437 -14.399 -14.071 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 33.124 11.064 -1.236 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 5.075 -4.077 2.000 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 12.803 19.008 -7.333 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 12.456 16.030 -5.264 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 -1.387 -0.759 6.518 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 1.297 8.092 6.115 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 -11.390 14.447 0.105 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 -1.678 -0.636 -6.584 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 -10.561 -12.700 6.638 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 15.914 -9.230 -10.594 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 -3.493 2.791 -4.803 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 14.492 8.033 10.695 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 -1.893 -6.977 9.978 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 1.921 1.922 -6.246 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 14.456 -23.087 7.982 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 -1.074 3.340 3.706 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 1.148 -5.656 -3.073 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 31.299 -0.436 -8.231 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 -34.730 8.811 17.429 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 5.083 5.388 3.482 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 -8.340 -17.394 5.393 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 5.959 14.370 27.434 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 -1.925 4.918 -2.477 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 -18.813 -26.290 6.017 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 8.391 -20.460 -3.341 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 2.226 4.548 -0.977 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 -1.724 16.291 -25.541 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 -6.641 2.819 7.518 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 4.310 0.720 3.089 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 14.108 30.936 16.738 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 18.452 -26.337 25.041 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 -3.801 -0.441 5.854 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 -1.388 -0.699 8.219 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 -3.533 -1.111 4.925 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 -1.669 2.198 0.895 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 -4.632 -15.458 14.789 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 -4.326 12.843 -16.212 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 -1.703 -2.293 -1.795 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 10.677 -2.930 -11.301 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 -14.486 -6.657 -9.811 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 -2.390 2.173 -3.842 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 38.925 1.669 17.313 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 15.416 7.351 5.293 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 3.807 1.170 -3.395 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 10.602 7.587 -18.718 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 10.642 6.519 5.715 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 5.166 5.882 3.251 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 13.581 -3.511 18.170 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 -3.161 14.000 -14.866 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 -0.314 -7.522 1.224 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 4.725 -10.857 1.027 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 -6.552 -3.869 12.486 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 -3.855 0.096 -2.882 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 17.955 -5.411 10.525 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 3.476 -12.562 12.641 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 -1.162 0.795 -1.046 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 16.563 6.757 -3.987 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 -3.793 1.160 -0.851 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 -3.180 -1.903 9.132 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 3.875 -20.570 8.731 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 -8.230 13.300 11.819 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 -10.498 4.110 1.311 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 -20.715 12.550 4.238 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 8.017 5.871 6.766 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 -3.858 6.164 3.761 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 11.384 12.212 -6.307 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 7.376 4.168 -9.103 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 -1.456 1.382 -1.122 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 -2.113 -25.868 -5.987 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 13.787 0.248 -7.914 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 -1.181 6.626 0.333 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 -1.522 3.950 1.153 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 13.093 -8.460 -6.839 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 -3.535 3.665 -7.957 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 -14.198 -6.610 22.722 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 -12.407 -1.435 26.692 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 2.291 6.019 3.562 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 10.557 -9.235 3.376 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 -15.287 10.883 -5.190 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 1.601 3.766 -5.188 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 12.776 7.165 21.480 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 -9.248 -12.186 -3.876 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 -3.553 -2.705 -2.319 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 -4.471 10.819 -13.542 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 5.176 -18.285 -8.656 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 -2.387 -0.363 1.244 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 -9.317 6.647 27.211 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 20.431 -3.931 -2.485 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 -1.313 -3.595 6.092 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 1.862 -8.102 7.609 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 1.321 -3.228 9.266 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 -2.763 3.714 -0.060 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 -4.376 -5.535 5.177 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 -2.674 4.182 -2.975 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 4.533 4.743 2.879 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 22.224 23.909 -14.960 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 0.158 -29.006 -14.135 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 1.257 1.028 3.475 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 -4.814 -1.785 15.339 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 1.549 13.062 3.215 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 1.659 -3.142 -3.290 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 18.528 7.709 4.641 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 -9.595 10.474 -0.706 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 -4.694 3.642 -5.537 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 -12.295 -3.836 -6.603 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 0.730 9.451 8.217 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 2.620 3.232 -2.348 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 -12.186 -2.443 15.393 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 1.647 17.110 -14.133 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 -3.011 -3.017 -0.948 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 5.613 3.371 14.279 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 1.084 -12.237 5.128 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 4.212 4.654 -1.919 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 -7.534 10.286 -6.018 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 7.106 3.583 0.425 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 0.421 2.343 -0.511 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 -5.832 2.244 6.415 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 8.145 -2.009 -8.584 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 -2.918 1.579 -13.614 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 -3.735 4.046 -16.529 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 -6.532 1.405 -0.598 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 0.058 -2.449 -5.715 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 6.517 -5.811 5.405 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 16.281 -19.396 1.855 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 -7.303 -4.459 4.480 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 8.640 21.202 -0.319 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 -19.381 -20.669 13.864 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 -5.644 -4.831 -3.787 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 -1.835 -23.860 -12.393 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 -12.125 1.788 16.437 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 -0.927 -1.232 -3.185 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 6.112 -21.722 -29.554 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 -12.973 19.532 19.149 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 1.131 0.862 -1.990 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 14.021 -16.284 -4.150 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 15.187 5.970 5.979 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 0.778 -0.063 -1.160 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 24.928 3.352 -20.224 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 14.210 3.562 -12.257 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 -0.479 5.525 -2.073 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 -0.140 -0.497 5.272 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 -0.464 -0.170 3.392 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 4.074 -0.682 2.225 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 6.357 -2.435 -2.472 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 -0.020 1.934 -3.905 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 3.043 -1.393 1.710 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 -2.721 -4.560 0.662 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 9.815 -3.870 -4.228 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 -3.802 -5.200 4.758 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 17.797 -1.365 14.858 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 -6.962 -2.965 4.437 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 -3.807 5.441 1.245 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 9.079 -4.047 -16.414 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 5.372 6.543 22.520 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 -2.041 6.975 5.061 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 8.281 2.076 19.357 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 4.562 -3.204 -10.844 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 -2.764 3.315 -1.268 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 3.235 -2.965 0.313 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 -7.582 9.702 -1.269 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 0.190 -0.422 0.797 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 -2.833 -0.015 25.827 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 -7.809 -1.685 14.809 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 1.784 -0.300 -4.562 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 12.516 5.407 2.092 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 4.367 -15.356 -3.087 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 -4.358 1.952 -0.064 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 1.899 -1.560 -2.905 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 17.598 -25.326 15.472 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 0.489 1.943 1.457 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 6.880 -6.125 0.950 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 4.603 -7.026 -0.731 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 -2.323 -1.321 0.356 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 -5.419 1.998 3.644 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 -3.028 -0.042 2.179 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 5.408 -0.992 3.946 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 2.444 -5.889 -10.395 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 0.581 4.368 9.162 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 1.106 -0.787 -0.670 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 -6.936 -6.700 -8.043 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 18.652 16.220 -12.484 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 -1.563 -0.525 0.591 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 -2.924 -13.990 -21.169 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 5.848 20.402 -3.439 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 0.075 -1.775 3.522 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 -5.687 16.289 1.552 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 0.925 -2.935 -16.037 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 -8.316 4.034 2.698 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 6.824 8.331 18.207 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 -3.948 11.685 6.799 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 1.817 -3.293 -2.743 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 3.492 -9.562 -2.830 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 1.292 -2.064 4.478 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 -2.636 0.927 1.933 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 9.465 -1.000 -1.427 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 6.902 4.948 -8.063 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 -1.756 0.864 2.177 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 -9.399 4.527 -1.382 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 -0.907 9.057 -8.334 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 -2.805 0.234 3.876 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 -10.022 -2.172 2.615 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 1.659 5.313 1.723 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 -1.433 -1.790 4.639 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 0.178 1.705 4.345 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 11.944 11.494 -9.004 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 3.185 -2.187 7.889 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 10.552 -12.234 21.119 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 6.847 2.108 8.548 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 -0.127 -5.709 -4.352 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 17.640 -21.671 22.531 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 16.614 9.534 1.990 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 1.500 -4.648 3.234 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 -9.367 -15.843 8.437 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 -3.123 -2.627 -19.634 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 -1.792 -2.445 -3.378 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 7.766 3.561 7.045 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 -4.472 -10.789 -2.390 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 -2.247 0.628 4.500 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 -6.194 -2.715 10.288 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 -0.409 11.696 -5.104 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 2.941 -9.157 5.031 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 17.254 -28.901 5.590 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 -6.577 -5.989 -12.263 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 -2.184 -3.507 3.915 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 5.208 5.226 19.612 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 -7.123 12.496 20.532 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 -1.627 -1.497 5.102 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 -10.955 -15.642 8.797 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 -9.339 10.390 -22.372 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 2.374 -0.124 4.253 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 24.661 11.579 12.543 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 -28.850 24.574 -3.572 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 3.272 -1.744 -0.428 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 -2.879 30.279 -9.903 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 2.919 -32.923 4.283 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 -4.063 -5.657 3.921 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 -33.684 7.838 24.906 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 -3.751 0.137 -7.772 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 -4.541 0.867 -2.913 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 -10.520 -2.213 6.255 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 8.331 8.768 2.397 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 5.587 -7.197 8.933 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 5.666 -5.559 12.215 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 9.914 1.799 25.501 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 3.686 5.898 -4.710 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 19.095 2.827 3.542 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 -10.032 3.311 -1.802 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 0.594 3.542 -9.718 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 1.522 -17.380 -0.915 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 3.226 -6.597 2.597 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 3.356 1.239 4.495 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 -30.419 -30.240 -39.888 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 -4.527 -9.180 -3.143 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 0.603 -7.713 0.500 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 19.752 5.054 26.212 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 0.158 -2.905 -3.712 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 0.033 -3.989 6.480 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -7.180 -7.176 12.813 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 -12.758 -6.123 -2.606 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 0.125 2.442 0.491 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 -3.184 16.457 -0.432 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 8.383 8.034 7.461 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 2.977 3.920 1.645 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 -1.435 -13.155 5.172 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 0.930 -20.025 6.791 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 -5.138 -4.896 -1.500 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 3.998 3.292 8.667 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 -15.187 -26.692 -4.793 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 8.374 1.747 0.237 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 -10.776 -0.598 10.391 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 -1.480 8.257 -6.908 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 1.064 1.576 -0.949 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 2.906 -6.406 3.824 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 -22.942 -2.919 -3.417 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 1.596 -2.116 0.612 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 -9.709 2.645 -5.002 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 31.396 -10.188 12.113 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 -6.540 -4.380 -0.155 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 -5.119 -9.212 11.765 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 -11.669 -2.776 -9.823 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 -2.359 -2.433 -1.773 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 -9.732 4.582 -8.310 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 3.703 3.183 -2.470 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 -1.905 0.188 -0.538 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 6.564 -16.370 4.337 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 -12.541 23.373 1.266 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 6.785 -1.143 -8.391 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 13.465 1.288 7.569 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 18.681 -12.077 -14.844 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 3.544 0.849 -1.593 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 1.345 7.659 26.606 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 -20.370 -4.030 -9.745 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 -1.621 3.708 -1.149 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 -0.729 -13.715 -6.438 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 3.133 19.823 -3.918 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 -4.887 2.172 1.159 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 -15.452 9.230 7.803 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 -8.156 8.730 4.918 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 0.483 -5.479 -5.063 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 2.309 33.746 12.808 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 2.423 -1.400 9.600 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 -3.059 -1.217 1.762 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 -5.955 -7.467 6.666 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 3.216 5.502 14.166 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 5.721 4.401 -2.057 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 -30.475 17.875 22.126 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 6.971 11.305 14.322 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 -5.491 5.463 -0.554 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 -5.179 -2.388 -12.203 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 -13.373 15.746 -5.837 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 -5.334 -0.321 3.774 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 1.884 2.209 18.130 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 -4.121 15.337 -4.980 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 -4.968 -3.772 -0.919 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 -11.763 -17.353 -4.113 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 -3.851 -1.804 3.180 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 -2.398 8.061 6.694 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 0.752 -3.227 -0.945 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 -1.852 3.658 3.148 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 -2.833 -1.845 -4.158 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 6.042 -2.175 -3.790 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 17.435 -3.419 10.189 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 -2.246 -1.550 -2.152 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 9.508 -29.334 2.198 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 0.855 18.396 -7.116 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 1.107 -1.130 3.090 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 7.780 -1.831 -11.828 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 3.256 13.779 5.339 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 -0.072 -3.212 -6.134 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 -5.804 -6.308 -4.409 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 -6.453 -9.100 -3.691 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 3.427 2.567 2.253 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 9.902 4.829 -11.853 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 -6.534 -16.241 -17.786 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 6.732 3.886 6.185 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 2.617 36.415 3.269 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 13.425 13.046 -6.887 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 -1.521 -7.517 -0.904 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 -0.517 -15.726 8.335 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 9.023 -10.305 -8.950 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 4.693 0.776 1.146 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 10.269 9.683 6.773 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 3.260 -4.155 1.273 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 -1.016 -1.813 0.798 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 -6.773 7.786 36.591 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 12.211 33.860 1.789 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 -0.934 -1.557 2.258 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 5.744 10.450 -8.277 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 -4.890 28.449 1.099 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 4.561 -0.926 1.283 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 -12.970 -4.187 -6.995 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 2.112 12.111 13.258 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 -0.615 3.104 0.443 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 3.368 5.387 12.499 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 3.113 -0.360 -9.340 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 2.233 3.677 3.758 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 -9.393 -18.175 0.954 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 0.580 1.146 12.888 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 -1.723 8.099 0.378 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 5.548 0.085 -2.138 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 19.586 -8.980 -10.101 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 2.619 -3.924 2.433 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 16.663 -2.952 18.327 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 -2.850 6.785 -31.604 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 2.990 -0.889 -2.107 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 -13.422 5.147 10.595 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 1.270 1.146 -0.690 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 -4.603 5.649 1.147 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 8.777 4.931 9.614 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 5.878 21.357 4.069 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 -2.649 -6.424 0.010 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 15.216 7.227 -9.716 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 -20.888 -11.393 -18.383 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 -5.975 0.223 1.267 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 8.543 -8.484 -23.808 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 -11.280 -6.931 6.144 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 -1.910 -0.941 8.764 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 -9.620 -8.286 24.315 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 8.517 -8.312 9.018 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 -4.518 8.367 5.896 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 -10.888 7.440 1.915 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 13.547 -24.572 7.566 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 -6.789 -2.621 0.600 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 -4.147 1.898 11.180 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 5.247 4.973 -2.219 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 -0.016 -0.537 -1.133 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 1.848 -14.925 -36.336 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 -1.193 -3.002 -10.550 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 4.606 8.964 3.191 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 -19.521 19.752 24.219 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 8.735 5.429 23.888 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 -2.277 0.086 -1.267 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 2.624 -27.402 -2.144 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 -17.967 0.758 16.975 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 2.283 1.390 1.874 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 -4.649 4.725 7.395 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 -5.897 10.866 4.984 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 -5.256 1.464 3.028 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 0.259 2.001 13.702 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 -5.612 -11.539 11.567 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 -0.429 0.478 -1.740 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 6.754 -2.237 -0.224 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 -13.444 3.579 -5.060 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 -3.213 -1.091 3.681 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 11.309 -9.214 9.838 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 -0.800 -5.408 -13.485 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 2.003 -2.666 1.708 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 -2.262 -9.552 6.859 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 1.099 3.199 3.255 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 0.078 -1.928 -4.341 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 -21.464 13.025 -2.668 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 -18.329 11.383 1.333 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 -3.855 3.232 -4.597 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 -27.594 11.007 24.395 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 -15.437 14.845 0.817 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 -0.444 -5.145 -2.331 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 -6.398 -20.013 3.172 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 7.549 -6.118 -21.272 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 -1.103 6.360 -0.727 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 12.505 13.789 -18.481 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 -11.627 14.504 10.973 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 0.601 7.445 5.559 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 -0.630 1.147 5.543 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 4.098 7.063 -2.233 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 2.377 4.251 5.734 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 8.667 0.263 12.592 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 -13.377 22.984 21.998 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 0.169 3.775 -0.381 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 7.323 4.049 -3.160 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 -13.720 1.854 5.700 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 -1.526 -1.014 5.796 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 -5.640 7.051 5.209 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 -0.871 3.576 -0.711 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 0.513 -8.475 -0.939 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 0.732 6.545 -18.817 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 -10.107 -12.484 5.219 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 5.805 -3.119 -3.731 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 -4.419 -1.888 -14.851 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 -10.116 -4.709 7.207 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 0.579 -0.815 -2.576 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 5.168 2.805 -8.069 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 -3.440 -35.182 -20.646 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 -2.174 -0.465 -4.933 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 -5.054 16.419 -11.284 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 3.888 3.481 10.509 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 3.437 1.053 8.895 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 19.731 -34.494 -17.050 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 -2.604 -13.048 24.412 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 -8.600 3.484 -4.770 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 -11.239 6.958 -8.356 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 1.343 9.716 6.836 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 -2.243 -4.797 -1.811 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 -7.253 -14.074 16.198 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 -12.334 -10.559 16.967 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 0.926 -8.805 -4.503 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 23.795 -10.993 16.620 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 2.200 -12.752 5.286 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 -3.183 -0.682 2.515 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 -11.558 7.992 -4.251 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 -15.417 0.463 -12.184 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 -1.750 2.515 3.865 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 -9.511 28.108 -8.550 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 0.892 4.516 5.918 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 -0.223 0.152 -1.096 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 34.831 4.896 -0.606 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 -30.639 23.200 -1.758 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 -0.823 -2.475 2.018 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 -18.120 -6.932 21.707 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 -4.862 18.911 -6.498 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 9.471 -0.367 -1.666 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 8.342 -0.039 -0.780 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 11.342 -7.644 -3.381 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 -2.298 -6.147 1.343 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 9.467 -25.166 -24.712 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 -2.542 -6.862 -0.384 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 11.460 -1.238 6.045 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 7.119 -6.370 8.786 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 20.517 10.661 2.126 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 -3.538 -2.792 0.234 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 9.578 2.628 3.076 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 -2.001 -5.690 1.017 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 -2.301 1.093 -2.110 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 -5.013 3.919 -12.236 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 -6.402 13.677 9.926 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 -3.386 4.808 0.835 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 3.537 -8.688 -5.459 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 9.655 13.146 6.996 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 -7.389 5.131 2.003 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 -7.176 -17.932 5.563 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 -21.451 8.821 -17.710 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 4.706 2.280 2.061 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 -10.504 21.772 5.871 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 2.897 10.602 -2.693 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 -1.192 -0.998 3.113 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 -7.489 -0.010 8.130 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 7.516 10.770 -11.325 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 -3.003 2.054 -2.705 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 -5.771 12.751 -6.885 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 -18.442 1.999 4.936 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 1.087 -1.713 -2.519 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 -2.206 -28.175 -15.846 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 17.343 40.501 6.811 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 -4.151 -2.904 -4.977 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 22.596 45.848 -25.736 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 20.978 3.392 11.178 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 -1.914 0.755 0.782 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 -0.340 -4.443 -1.877 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 -15.346 21.089 21.852 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 -4.837 -2.100 -10.321 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 -22.991 -22.234 -3.161 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 27.442 4.774 -15.154 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 1.572 -1.967 -1.437 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 1.148 -2.544 -4.500 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 8.601 -1.440 9.607 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 1.865 1.945 4.386 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 -14.081 20.681 -0.142 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 10.173 11.575 17.456 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 -4.535 1.394 -5.153 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 -17.887 12.322 2.709 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 -2.009 6.226 -13.002 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 7.111 -2.456 0.559 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 0.595 -6.232 13.805 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 0.817 1.649 -3.920 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 -5.058 -1.911 5.780 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 -0.868 -13.306 -16.888 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 -6.312 -1.824 8.691 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 -2.435 3.052 7.231 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 -9.498 -24.095 -9.125 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 20.996 6.759 -17.008 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 -0.611 3.205 3.518 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 -9.794 2.558 15.075 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 20.893 8.496 8.867 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 2.587 -4.094 1.615 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 10.739 -8.785 -10.519 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 -14.584 10.468 3.223 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 -2.593 -0.313 -0.899 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 10.846 12.871 11.542 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 6.491 4.438 -5.570 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 -1.523 4.633 -4.107 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 -3.408 27.036 -11.927 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 0.365 2.592 11.518 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 -2.036 -2.096 -1.201 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 -5.626 -3.524 0.943 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 7.383 0.853 -7.987 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 5.421 7.098 -3.322 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 34.642 -25.179 4.180 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 -4.257 14.905 -7.952 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 1.043 -0.534 0.632 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 5.066 3.898 2.976 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 -2.384 4.399 12.531 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 -0.010 -0.315 2.870 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 -1.080 -1.585 1.562 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 4.191 0.359 5.382 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 1.800 2.231 -4.284 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 1.653 12.141 -5.027 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 1.302 26.378 3.341 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 -3.477 0.020 1.083 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 11.768 -25.022 19.564 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 -7.266 5.752 9.254 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 -0.258 1.648 -9.465 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 3.691 -9.848 -30.877 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 18.473 22.194 6.370 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 -0.684 -2.698 0.563 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 1.034 -3.881 -6.028 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 -0.794 -3.102 0.087 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 4.426 -5.243 -3.730 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 -1.979 -22.761 2.366 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 -14.998 4.545 16.473 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 -1.248 1.520 1.326 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 -1.103 -0.779 -1.511 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 -2.056 -2.859 -12.308 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 0.190 4.601 0.998 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 5.309 -4.519 -7.790 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 -15.836 10.282 -1.312 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 2.193 7.682 1.293 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 1.747 30.213 -0.540 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 1.670 9.117 1.606 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 0.379 -0.736 1.577 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 1.249 -8.329 3.344 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 1.834 2.177 6.149 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 -2.583 1.722 5.855 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 3.919 4.038 5.295 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 1.355 1.301 7.108 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 -0.773 -0.178 -1.270 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 10.121 -3.391 -19.342 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 7.105 1.181 13.283 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 -0.052 9.304 2.026 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 -5.782 19.756 -15.531 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 2.171 -14.876 -1.165 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 -0.770 -7.108 6.345 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 -0.239 -7.057 17.892 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 7.749 -5.780 5.983 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 1.694 1.764 2.044 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 10.898 1.547 26.481 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 -10.713 -1.330 -9.681 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 -2.739 -2.332 -2.541 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 7.360 -0.682 -1.458 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 11.884 0.034 -5.309 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 0.583 5.341 -0.586 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 6.377 10.826 14.205 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 -0.871 -1.132 1.974 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 -2.870 -6.714 0.823 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 -10.496 31.778 -5.144 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 -4.732 -13.412 -1.550 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 -6.490 -8.752 -6.021 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 -26.297 -17.520 22.027 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 11.688 15.867 4.687 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 1.415 -0.881 5.477 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 9.367 1.761 5.569 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 -34.748 -4.817 4.015 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 -4.879 -1.634 7.159 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 -8.778 3.328 15.814 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 -4.854 1.307 15.191 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 -2.631 4.735 9.873 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 13.979 -1.765 1.138 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 -3.971 13.120 4.025 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 2.236 -4.617 -0.038 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 45.782 -5.349 7.740 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 -24.921 -12.353 25.077 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 6.210 -3.490 0.255 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 13.052 -1.156 -15.270 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 0.787 -7.964 13.282 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 -1.626 -1.176 -2.980 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 -7.416 -2.456 -6.443 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 -2.723 -2.748 -0.602 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 -1.683 -1.503 3.516 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 2.288 -17.795 30.205 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 -3.111 -6.906 1.898 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 -1.679 -1.603 1.891 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 -13.088 9.629 12.437 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 -7.741 5.164 8.846 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 2.485 1.398 3.591 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 7.610 20.613 -12.236 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 4.180 11.066 -16.266 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 3.424 -4.025 1.049 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 6.430 -9.193 18.399 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 -6.406 -10.005 12.067 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 -2.727 -2.268 -0.348 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 -5.367 -25.747 -19.328 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 16.875 -20.020 3.195 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 1.279 11.121 4.314 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 6.397 10.895 3.515 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 12.081 4.490 -9.240 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 -0.803 0.540 -1.564 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 12.012 10.356 5.983 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 -11.202 16.081 -15.895 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 0.199 -3.789 1.721 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 -3.405 -7.569 -0.186 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 -0.358 3.490 -6.496 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 7.777 -1.106 7.014 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 10.083 -15.206 -7.767 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 -19.677 2.085 -6.474 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 -1.905 -3.320 -0.395 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 -28.413 -19.347 -18.143 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 0.972 24.161 -12.496 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 4.511 4.544 3.395 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 -1.261 9.779 4.993 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 10.706 -6.477 0.741 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 0.624 1.671 -2.477 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 -1.787 -0.902 0.421 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 7.969 8.450 -3.742 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 -4.050 -0.386 -5.900 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 0.280 -5.341 3.001 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 -4.479 -1.255 -5.197 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 4.119 0.382 1.930 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 4.645 9.943 2.402 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 18.827 5.146 2.865 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 0.469 1.854 -0.732 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 10.209 9.010 -4.563 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 -0.142 -16.059 -6.496 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 -3.749 8.125 -2.060 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 -5.677 -7.580 2.924 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 -8.990 1.832 -17.752 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 -2.797 -0.224 -0.733 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 -16.397 6.174 6.325 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 -4.327 -16.962 -0.055 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 1.405 5.700 1.761 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 17.991 -15.388 0.108 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 8.977 -16.738 -10.432 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 2.393 2.274 5.650 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 0.519 0.594 -5.648 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 1.502 -13.611 -7.849 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 -5.185 5.247 -1.046 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 -6.604 22.359 -6.718 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 3.309 0.606 3.089 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 0.118 -5.956 -1.222 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 0.847 -12.628 1.550 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 -3.325 -0.318 -20.316 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 -1.167 8.904 -2.663 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 -14.728 -13.918 -13.874 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 27.299 -10.667 2.298 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 -0.963 -2.173 -5.144 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 23.998 -14.709 -39.884 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 4.927 1.868 7.482 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 2.197 -1.834 3.599 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 0.649 -13.036 -25.954 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 28.713 -2.888 -8.612 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 4.932 0.503 2.926 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 -6.560 -4.011 2.054 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 16.068 3.023 7.396 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 1.692 -0.934 -6.361 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 9.940 12.819 -21.453 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 3.271 4.132 11.369 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 -2.943 -7.236 9.812 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 -7.966 -9.682 4.869 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 -2.300 -6.681 18.177 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 2.918 -0.780 1.089 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 -23.182 11.820 1.487 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 -2.861 -27.371 6.819 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 6.334 -5.909 2.496 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 11.395 -7.384 2.793 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 -20.598 7.899 7.246 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 1.229 4.480 3.147 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 -4.545 13.744 19.771 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 13.018 -10.263 8.743 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 -4.725 1.829 -6.063 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 -6.176 5.525 -8.232 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 -27.307 25.891 -8.104 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 -0.050 1.160 -1.083 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 -2.138 5.243 12.890 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 -7.009 3.415 -6.235 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 4.545 0.625 7.648 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 -7.289 10.429 -2.139 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 -0.789 2.337 9.238 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 3.503 3.815 -1.082 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 27.009 -12.933 6.188 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 24.841 -17.433 2.632 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 -3.290 1.250 -2.861 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 -22.516 18.731 24.758 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 -14.887 13.744 -24.228 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 -1.653 4.090 0.104 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 -0.919 15.094 -7.618 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 -8.583 18.926 5.692 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 3.950 2.194 -2.974 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 -2.960 9.827 -4.083 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 -1.939 -2.808 -8.660 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 -8.123 -0.236 -6.310 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -9.996 -10.596 -8.983 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 -10.301 9.826 0.186 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 7.757 0.905 -4.636 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 -1.816 5.072 1.645 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 -0.418 3.663 12.027 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 8.524 0.879 2.172 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 5.570 3.851 -13.693 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 -1.539 6.626 -4.976 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 -2.082 -3.274 2.454 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 -1.200 -8.966 2.586 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 -5.488 -10.425 -1.159 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 -8.334 -1.154 -6.084 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 -16.588 -2.976 9.980 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 -4.733 5.533 -4.104 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 2.151 0.884 -2.499 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 1.891 19.879 -2.839 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 -14.412 -7.732 -3.431 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 2.736 -8.888 -1.154 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 -36.456 12.592 0.818 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 0.852 -6.443 -5.825 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 -6.624 -2.445 1.338 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 15.527 -6.784 10.783 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 -4.389 -11.173 1.814 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 1.187 -1.425 -4.592 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 7.954 15.176 -3.290 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 -1.234 -14.119 -6.933 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 -2.643 7.570 -0.516 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 -0.962 7.490 -6.480 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 -4.763 4.443 -14.633 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 5.018 -3.271 -4.722 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 -11.642 -4.006 -15.261 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 13.049 11.951 13.560 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 -4.315 -0.506 3.299 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 0.361 4.723 -10.487 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 14.587 10.045 2.570 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 -3.095 -5.819 4.836 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 -12.169 -11.819 -1.077 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 -12.034 9.963 -3.342 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 2.843 -5.025 2.060 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 -6.641 3.890 -4.984 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 11.515 -5.973 -23.861 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 -0.438 -4.436 1.002 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 17.352 -14.387 -2.856 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 -11.993 2.232 12.920 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 -3.812 3.577 7.973 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 -3.722 -12.002 6.169 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 -14.989 11.493 0.488 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 0.666 -5.639 -0.515 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 13.317 27.888 2.337 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 8.618 -16.643 -16.563 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 -4.926 0.915 -5.828 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 13.834 7.406 -30.559 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 9.107 -2.725 -22.378 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 1.391 -0.121 -1.211 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 3.048 -25.839 15.666 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 -4.455 -3.672 -5.866 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 -1.969 2.816 2.355 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 2.717 1.004 -11.352 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 -3.651 13.306 3.297 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 3.310 -6.675 -1.814 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 -3.956 3.112 -1.151 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 6.775 -9.743 -1.919 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 5.559 -2.223 0.157 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 13.563 2.975 15.416 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 -5.162 -0.531 0.659 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 -9.507 -1.382 -3.930 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 2.342 4.203 21.652 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 -0.129 -2.665 5.616 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 -6.704 -7.731 2.896 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 -9.484 -5.631 9.189 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 -1.200 -3.879 -0.362 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 -0.480 8.220 2.999 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 -8.550 -12.812 12.098 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 -17.349 21.799 1.883 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 -3.120 1.187 1.095 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 14.137 7.786 -2.478 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 -3.738 -9.521 -8.308 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 -0.769 -3.184 0.924 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 -13.539 6.178 -11.473 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 -9.410 7.049 -10.795 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 2.143 5.298 -0.384 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 9.645 6.514 -2.927 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 -4.008 7.309 0.243 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 1.942 -1.647 -2.803 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 -0.261 -8.760 -5.816 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 -5.787 -8.641 -11.209 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 4.858 3.583 0.670 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 12.223 6.711 -0.927 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 -5.051 -11.930 21.122 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 -4.815 -1.644 0.280 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 -2.095 -21.067 -1.160 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 5.895 2.372 -13.944 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 0.453 4.986 -0.946 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 -12.688 11.824 -12.819 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 -8.047 -0.217 -7.260 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 5.923 -2.682 -6.696 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 10.683 -8.673 -4.593 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 10.364 -1.183 0.416 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 1.097 1.874 -4.530 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 9.579 7.920 -5.616 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 23.354 -5.083 -11.125 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 8.441 3.858 -0.695 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 -20.363 -12.510 16.965 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 9.079 16.972 -0.137 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 -1.472 1.876 3.987 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 38.235 1.725 -4.523 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 -18.165 28.720 10.346 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 1.086 3.626 10.431 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 2.007 1.934 -7.293 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 -1.362 -16.441 0.593 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 2.455 3.640 1.748 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 -4.411 -4.481 -8.744 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 8.941 11.267 9.831 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 -4.105 4.683 -4.267 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 -10.755 -23.483 -8.393 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 -4.808 7.891 22.667 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 8.294 -3.466 -1.684 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 10.702 19.305 26.807 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 8.257 -2.390 -2.743 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 2.975 -1.978 1.688 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 3.468 -0.114 -3.534 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 3.683 6.003 -28.024 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 -4.788 4.722 4.695 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 -8.276 -8.165 2.915 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 5.550 -1.365 0.025 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 -0.319 -3.357 -0.850 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 -2.818 20.153 3.420 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 0.852 8.343 3.395 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 1.569 -5.435 4.656 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 -6.487 -17.148 9.118 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 0.295 -8.140 5.503 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 6.408 2.037 -3.595 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 5.354 2.734 -0.341 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 11.527 4.973 -24.415 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 0.420 0.924 -2.181 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 6.814 -8.025 -7.181 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 0.659 1.168 11.850 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 2.484 6.677 0.241 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 -9.569 -21.321 -22.703 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 4.182 1.657 11.923 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 3.660 -1.892 0.957 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 32.558 10.176 -1.962 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 -8.504 -1.352 -14.180 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 1.630 2.340 -1.668 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 -11.809 11.809 -1.464 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 14.150 -10.579 -1.962 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 -0.467 4.379 -4.306 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 -0.506 5.144 -2.260 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 -0.277 3.489 2.965 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 -1.348 -3.023 -8.122 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 -6.287 -12.366 -0.527 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 -2.258 -7.804 -3.100 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 -4.333 3.101 2.582 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 9.024 28.841 27.248 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 4.367 -1.087 -2.263 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 0.168 6.536 -2.197 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 -12.145 8.937 25.107 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 -0.226 -21.344 -5.392 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 1.601 0.223 -4.254 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 -14.370 -10.493 -14.377 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 -14.346 -10.415 -14.529 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 -0.650 4.981 4.055 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 1.867 2.391 10.902 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 -8.533 -8.088 5.048 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 -2.058 -1.251 -4.173 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 -16.730 -11.721 7.640 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 -9.816 -40.535 0.611 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 3.643 1.182 -2.230 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 -7.387 14.271 15.758 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 0.155 9.714 6.515 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 -0.233 -0.066 -4.909 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 4.210 -3.227 -2.683 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 -15.511 5.813 6.791 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 -3.035 -2.139 4.114 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 0.836 -9.828 1.125 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 1.949 -20.445 -6.254 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 -1.921 1.803 5.802 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 -1.107 -7.529 -8.036 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 -11.651 13.665 -0.745 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 -6.062 0.784 -1.701 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 -8.622 4.691 -2.913 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 -3.307 7.335 -6.084 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 9.453 -3.022 -2.110 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 17.812 25.813 -19.888 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 4.461 5.722 15.130 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 -2.542 0.130 -2.090 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 -13.023 -4.964 10.929 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 -9.229 -9.494 -17.571 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 3.215 9.322 2.588 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 -0.795 -2.207 -2.207 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 -1.063 18.641 10.825 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 0.247 -0.763 1.765 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 0.690 -5.277 2.878 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 -0.608 7.818 -1.991 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 2.513 -6.289 2.070 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 11.509 -4.523 -6.727 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 -13.696 -12.409 2.050 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 5.343 3.524 -0.180 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 13.010 14.532 -2.750 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 -12.343 -0.907 -0.452 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 -0.120 -8.266 4.736 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 -5.771 -0.972 5.959 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 -0.748 30.602 22.135 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 2.769 2.296 2.510 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 6.644 1.815 1.955 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 4.455 3.061 4.751 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 0.667 -3.261 -3.596 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 1.509 6.489 0.286 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 2.808 9.938 4.243 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 -4.550 -1.191 -0.441 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 1.595 -10.038 -2.233 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 4.943 10.240 3.971 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 4.931 1.602 -4.209 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 -1.997 2.281 14.994 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 -6.153 2.550 21.536 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 1.595 -5.279 -2.796 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 0.728 4.252 -12.691 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 1.054 16.316 33.261 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 -1.145 8.162 -1.574 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 6.989 -13.862 17.664 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 1.251 3.236 10.227 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 2.601 3.967 2.506 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 -4.221 -6.284 0.592 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 -14.101 12.345 4.784 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 -7.327 -0.957 -2.546 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 3.276 -9.833 -3.851 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 3.185 -10.929 30.499 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 1.307 -4.747 5.571 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 -9.907 6.310 17.989 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 4.633 -14.121 -7.604 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 2.886 4.467 4.757 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 0.332 23.880 6.599 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 7.104 22.281 -1.413 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 -5.585 1.689 2.675 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 -3.269 -13.785 -2.951 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 15.553 -12.363 -16.518 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 2.630 0.863 2.608 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 10.365 8.531 10.064 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 13.304 0.187 -7.220 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 0.974 2.055 -2.251 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 -12.680 4.692 -0.516 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 -7.538 3.552 -6.536 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 1.733 0.846 4.167 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 -1.917 -8.252 -23.516 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 -18.679 -2.698 21.412 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 -3.908 -1.022 3.739 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 3.932 20.189 21.966 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 -8.174 -11.485 -8.938 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 -0.715 6.428 -6.918 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 -2.507 -1.193 2.320 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 -6.271 7.272 -14.490 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 -1.726 -1.236 6.495 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 -25.278 -5.074 -0.164 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 -10.294 -1.700 -11.136 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 2.557 -2.454 -1.675 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 -20.009 7.393 -7.320 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 13.375 20.608 -8.724 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 -1.678 -7.475 -0.514 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 0.131 5.206 13.975 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 -6.284 -15.364 7.849 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 -0.690 0.213 -1.653 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 -0.908 15.370 2.628 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 10.867 5.448 -23.416 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 3.415 0.086 -3.920 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 -17.844 -9.922 -4.320 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 7.251 8.354 16.202 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 0.074 1.109 1.520 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 -20.670 -1.715 -4.281 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 0.669 19.789 16.346 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 3.924 3.617 -3.633 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 23.669 18.561 2.667 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 -24.366 -1.797 -13.721 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 -0.487 -2.858 -1.680 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 -2.261 1.786 -2.995 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 -0.571 -4.194 -0.498 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 5.009 4.451 -4.986 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 -13.027 9.938 -12.908 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 17.557 5.432 -29.704 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 -2.728 -0.908 -6.673 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 7.030 -4.026 -7.792 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 -11.678 -10.261 -1.702 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 -6.549 1.960 -5.412 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 3.956 -10.490 13.134 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 18.488 -6.080 4.765 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 -1.016 2.040 -0.886 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 -14.880 -3.669 4.274 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 -4.193 8.106 -7.726 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 -1.515 -1.407 -6.860 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 -6.230 -38.979 4.728 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 -4.920 13.319 0.165 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 8.642 5.019 0.651 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 3.970 3.308 -2.161 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 6.968 5.669 0.422 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 -7.421 2.578 2.513 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 -17.774 -20.366 -4.362 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 0.606 47.787 -8.821 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 -7.002 -2.023 -6.833 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 8.337 12.568 -6.784 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 -20.589 5.448 -23.964 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 3.030 1.513 0.709 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 7.090 11.217 -6.707 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 1.390 0.773 6.427 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 3.982 -2.238 1.844 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 40.764 -22.206 -13.751 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 -2.151 7.231 -1.067 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 -3.635 -2.187 -3.306 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 -16.762 1.233 -3.834 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 3.322 -2.804 -3.729 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 -7.477 1.133 0.848 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 -16.465 -14.957 -8.159 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 -19.166 11.356 -4.431 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 -5.663 -5.646 -1.741 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 12.337 10.565 -11.685 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 -13.916 5.203 6.070 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 -1.755 -3.796 11.484 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 8.995 -6.387 -3.363 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 -9.077 5.483 4.192 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 2.260 -9.590 -5.498 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 3.454 10.264 -1.760 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 -23.514 0.687 7.119 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 -4.202 0.932 -3.186 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 3.687 5.565 10.381 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 3.278 5.208 8.726 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 -7.963 2.945 -0.762 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 -5.001 -12.022 -12.932 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 -7.381 3.201 -1.935 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 1.300 4.742 6.081 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 15.276 12.652 -0.901 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 25.109 -15.050 8.003 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 3.354 -3.874 0.527 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 4.745 -2.055 3.359 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 8.565 -3.836 1.866 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 -9.797 0.290 -7.119 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 3.472 23.875 -16.869 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 -5.409 6.362 -13.648 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 4.478 0.406 1.972 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 1.797 2.130 7.402 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 9.460 -1.591 3.264 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 2.585 5.708 5.207 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 7.458 3.489 11.741 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 -16.374 15.543 0.685 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 -4.944 -3.438 -0.382 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 9.471 -7.220 -2.873 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 -8.589 0.705 -6.271 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 -4.007 -2.106 3.495 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 -5.929 -21.426 12.282 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 9.016 12.732 5.974 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 -6.193 -3.557 0.333 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 3.360 3.532 -8.657 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 -25.665 -28.671 14.987 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 0.706 -1.693 3.070 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 4.987 7.245 -22.303 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 -11.936 -14.075 13.683 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 3.683 0.466 -4.019 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 -1.089 7.988 -12.028 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 6.658 11.081 2.159 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 8.952 1.884 -0.486 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 17.866 -28.844 -8.709 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 -12.780 20.274 7.744 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 2.698 -0.404 3.169 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 24.570 6.691 16.864 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 -0.218 1.468 1.540 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 -0.540 2.567 -2.057 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 4.240 3.146 6.641 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 21.814 9.777 6.927 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 3.860 5.799 -0.426 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 6.727 -16.290 -15.053 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 -6.203 -17.778 -2.151 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 0.520 -1.931 0.641 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 7.444 4.563 15.473 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 -11.787 -12.262 -5.416 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 -3.196 0.963 -0.084 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 -28.648 -39.665 12.278 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 19.195 13.729 -20.367 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 7.783 -0.326 3.012 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 14.915 30.963 -5.330 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 -15.756 1.720 -18.000 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 0.351 4.580 2.318 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 -15.608 2.422 -13.345 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 -3.565 -1.456 -9.071 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 -3.602 4.952 1.412 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 3.080 10.553 1.670 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 8.410 -4.623 -8.406 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 6.436 6.342 7.220 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 1.340 -17.450 4.417 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 6.625 10.422 4.414 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 7.576 -2.007 -3.039 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 -13.172 15.468 12.839 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 5.895 -14.274 -16.947 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 3.742 4.528 -2.581 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 12.975 6.459 -5.807 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 -4.511 16.810 8.380 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 -3.740 -2.467 1.244 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 17.855 -5.108 -5.650 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 -6.790 9.014 -3.584 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 0.555 -2.579 -3.121 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 -16.963 1.792 -14.221 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 -21.094 -0.302 13.528 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 -3.198 0.103 0.293 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 1.905 -0.720 1.776 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 12.249 9.431 2.665 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 -4.386 -1.091 1.121 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 6.463 -0.445 -1.542 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 -8.688 5.030 3.126 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 5.646 5.674 9.460 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 3.684 17.810 8.896 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 1.372 3.884 5.022 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 0.949 0.412 -4.489 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 1.448 3.693 -2.153 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 -4.979 -0.697 -7.734 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 -5.132 0.596 5.035 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 5.474 -7.983 1.809 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 -21.993 14.008 10.097 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 -3.265 -3.716 0.654 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 -7.105 -5.725 -30.936 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 -8.425 1.564 0.894 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 -1.912 -3.102 0.979 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 -5.143 -4.733 -13.219 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 -3.555 1.323 22.086 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 4.591 0.802 4.105 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 4.355 7.391 1.591 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 2.354 8.127 2.052 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 -7.680 -1.127 1.109 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 -6.974 16.474 13.867 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 13.505 -1.505 -19.897 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 4.440 -1.222 7.182 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 -3.645 2.128 11.569 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 24.997 1.032 8.377 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 0.290 2.069 -5.576 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 1.069 -2.668 -1.861 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 -7.387 -30.658 -14.515 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 -4.833 2.326 0.825 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 4.357 -4.841 -2.485 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 -13.327 2.818 -4.296 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 10.132 -1.464 -6.387 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 10.644 -4.872 -3.720 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 12.622 -6.202 -2.960 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 6.120 -0.988 -3.465 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 2.786 2.761 -3.193 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 0.584 5.415 -3.134 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 2.576 -6.492 0.776 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 -1.183 -4.238 6.697 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 -8.930 -7.220 -22.633 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 -2.321 6.307 3.925 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 -9.148 -1.429 11.498 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 -10.625 7.650 5.838 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 0.275 -0.619 7.524 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 1.469 22.869 -3.035 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 -10.545 13.239 6.879 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 1.173 3.902 0.942 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 13.434 -0.617 -17.218 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 26.019 27.124 9.934 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 -1.776 -5.915 -0.710 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 25.843 8.018 14.501 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 16.888 15.559 4.621 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 4.952 -2.337 -4.982 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 -11.876 14.758 -11.028 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 -3.923 1.795 -6.217 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 -0.653 1.416 -2.792 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 -12.340 6.329 15.170 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 20.262 -8.678 -24.044 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 -1.830 8.866 -2.385 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 -26.619 17.968 7.357 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 9.144 -2.247 -10.419 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 1.836 -0.176 -0.701 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 21.870 -7.362 -4.602 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 -3.104 -9.164 -2.663 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 2.577 0.072 -0.161 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 5.590 14.553 0.453 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 12.412 -12.421 1.262 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 3.474 0.441 4.436 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 10.399 -16.595 6.324 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 -3.931 -2.750 -13.827 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 4.247 -0.939 -1.177 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 6.174 0.303 -3.237 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 1.983 0.972 -1.048 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 2.603 0.224 0.316 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 7.711 -2.201 0.571 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 -11.809 13.733 0.775 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 -0.926 6.191 -3.727 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 -2.356 -8.994 -15.854 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 -7.441 14.066 -0.783 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 -2.795 -2.118 0.654 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 -9.947 -5.342 -1.826 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 -0.132 -7.049 5.153 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 -4.907 -0.288 2.310 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 0.967 1.082 -16.412 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 -15.608 -5.067 -3.167 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 -2.396 2.647 2.557 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 5.998 -4.923 3.736 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 -2.539 4.889 8.625 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 0.695 2.749 -5.245 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 6.485 2.924 -23.477 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 -6.917 1.280 10.689 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 -1.554 -1.030 -1.555 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 -6.077 1.722 -9.238 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 -0.001 2.123 3.188 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 3.883 -4.234 -5.391 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 12.527 -5.284 -4.225 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 4.890 -1.645 5.948 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 11.276 -3.655 0.825 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 8.956 -7.557 -1.192 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 8.272 -18.734 6.023 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 4.126 -2.408 1.574 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 6.952 1.172 -20.124 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 18.087 1.239 14.738 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 -3.540 4.412 -1.708 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 -6.023 2.677 3.965 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 20.003 -12.200 11.241 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 7.513 -9.962 3.879 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 16.371 -16.474 12.369 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 -4.740 -36.050 1.253 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 -0.835 5.791 -2.167 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 -32.708 14.232 11.674 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 -48.672 -5.412 5.746 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -1.057 -1.780 2.567 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 0.671 -19.014 2.856 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 -3.690 -8.721 -14.930 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 -0.088 0.973 -0.698 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 -15.996 14.576 -4.284 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 -6.674 4.223 -1.706 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 0.808 2.689 2.432 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 1.603 5.521 -4.847 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 5.865 -17.684 31.878 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 -1.848 -3.308 -5.050 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 25.443 5.174 14.509 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 -13.334 10.395 -18.232 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 0.041 2.451 0.926 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 17.629 15.193 4.158 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 -9.337 14.623 -12.335 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 5.825 0.329 -3.839 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 9.836 14.537 0.031 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 0.171 -5.827 6.275 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 1.909 -3.878 -1.589 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 30.195 21.417 4.556 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 10.418 1.881 -35.985 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 -3.920 -1.721 0.988 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 -1.359 -1.804 -3.685 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 0.272 -2.175 -7.319 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 -0.990 7.075 6.963 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 -21.076 -16.999 4.103 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 -0.005 26.530 17.833 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 5.905 1.907 3.484 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 4.617 6.712 4.279 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 3.963 -8.977 13.144 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 2.976 7.150 -4.105 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 -15.602 13.516 2.500 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 7.351 6.215 -13.965 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 -1.753 -3.176 0.751 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 6.986 -13.491 -3.518 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 5.505 -14.575 -1.529 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 3.695 -0.712 6.090 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 0.665 -1.845 -0.089 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 3.468 -27.824 17.396 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 -0.388 -5.696 3.791 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 0.732 -6.528 5.016 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 8.584 -19.402 14.830 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 6.815 -2.864 1.679 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 -26.235 -19.911 -0.632 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 -2.545 -14.913 0.625 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 -3.658 -1.234 2.886 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 2.636 0.213 8.409 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 -13.947 3.874 3.421 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 4.175 0.902 5.773 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 -6.614 -2.432 4.383 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 6.066 0.489 7.427 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 5.847 -0.902 2.581 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 -9.016 -17.956 -0.811 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 -6.957 -2.757 -8.762 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 -0.180 -0.914 1.823 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 13.353 -16.869 1.553 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 -9.824 -4.533 -17.451 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 -1.789 4.066 9.731 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 -4.697 -1.991 4.974 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 4.855 14.407 2.229 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 -3.266 2.341 2.149 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 11.570 -8.661 12.086 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 -9.153 7.101 -1.971 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 1.976 2.153 -2.642 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 8.461 -3.813 -6.792 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 5.391 5.929 21.579 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 4.147 1.289 -3.553 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 10.174 -7.025 6.373 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 -13.213 -18.794 8.516 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 -0.236 3.498 5.403 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 -3.581 19.425 6.875 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 10.102 12.639 11.352 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 0.298 -0.483 3.741 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 -6.378 6.012 4.335 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 5.317 1.340 -5.022 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 -11.441 -2.912 0.337 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 3.094 -9.387 7.211 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 -16.308 0.279 -3.196 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 -0.317 4.314 0.516 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 0.664 8.378 0.159 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 11.112 0.902 4.370 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 -5.342 -4.089 0.022 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 -3.758 -3.947 -5.578 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 -7.667 -26.509 -24.709 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 -9.050 5.641 0.226 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 10.243 -9.867 -4.835 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 -29.365 21.857 -0.014 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 2.406 -1.106 -4.702 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 -1.909 10.473 -11.255 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 -17.144 11.495 10.074 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 -2.171 -0.771 0.730 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 -24.193 23.044 4.330 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 -4.019 4.067 1.597 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 1.663 2.815 0.393 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 -8.044 6.926 -4.781 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 -10.214 6.010 -6.054 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 -6.314 -2.161 7.298 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 -1.517 2.211 8.510 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 1.873 7.781 10.897 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 -5.310 -3.560 -9.045 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 13.701 -6.635 -15.159 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 -36.168 -2.628 12.855 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 2.727 8.301 4.154 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 6.001 24.254 -8.988 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 -20.135 16.641 -19.287 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 -9.360 6.551 -6.014 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 3.745 -6.289 -14.410 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 -14.500 19.441 -8.068 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 -2.910 6.192 4.963 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 -10.310 10.318 13.270 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 -12.260 9.132 24.334 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 -6.953 1.808 -0.333 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 23.230 3.570 -6.806 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 8.131 -26.742 13.004 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 7.190 0.429 -6.212 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 -2.917 11.290 -7.805 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 -5.310 11.980 -7.516 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 3.386 0.292 -0.823 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 -11.079 -13.929 -2.836 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 9.603 9.687 2.567 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 6.371 -0.654 -1.923 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 7.069 -0.059 1.076 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 1.077 -2.480 -2.956 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 -4.722 0.885 3.874 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 19.929 3.905 3.722 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 -0.393 17.874 37.196 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 -3.576 -2.130 -1.873 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 -4.481 -6.209 -3.760 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 -14.377 4.389 -0.568 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 1.330 2.449 2.871 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 -6.509 -10.784 -13.470 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 -3.807 -14.060 -10.523 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 -2.174 2.913 0.148 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 -2.797 0.706 -19.921 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 1.121 4.596 17.662 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 -1.096 1.581 7.148 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 -0.788 13.789 14.733 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 0.869 0.657 4.949 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 -1.935 2.103 -3.640 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 -17.162 9.609 -7.106 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 -2.001 -13.025 8.065 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 -2.990 1.072 1.401 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 -4.484 12.883 3.236 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 -1.601 5.502 4.392 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 3.166 -4.750 -0.056 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 -8.331 1.727 1.551 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 0.492 -19.516 -3.284 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 -6.987 1.153 0.932 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 -4.808 0.833 3.713 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 -6.695 -3.220 1.966 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 2.707 -4.054 1.993 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 1.474 -0.205 13.979 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 7.112 -7.238 -4.989 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 -9.830 5.871 3.343 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 1.952 7.682 1.687 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 -26.147 -4.047 5.563 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 -2.078 5.021 10.607 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 7.981 18.043 15.809 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 -7.722 2.905 8.898 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 -9.441 -0.471 -4.551 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 0.983 1.430 1.497 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 -22.352 29.102 7.007 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 0.671 -1.865 -2.410 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 -1.907 9.251 -7.348 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 5.532 20.596 1.880 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 3.258 -6.412 -2.819 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 -15.102 -1.658 17.114 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 -26.499 -2.527 30.062 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 -5.072 3.206 -0.171 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 10.057 -3.756 -7.015 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 -16.022 6.911 9.536 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 3.035 4.695 -1.710 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 0.158 20.365 10.332 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 1.593 4.294 -2.867 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 1.624 1.734 2.136 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 -9.430 -28.964 32.316 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 1.657 10.200 -14.006 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 -8.641 1.879 -1.448 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 10.881 8.221 -7.531 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 -9.874 6.493 17.913 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 2.075 1.265 9.536 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 26.504 19.159 -4.893 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 10.568 -5.345 15.206 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 0.371 3.074 5.178 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 -12.965 -3.814 5.406 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 -1.982 17.231 0.397 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 -1.657 3.065 3.239 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 -21.339 -2.788 -9.286 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 0.955 -15.297 12.564 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 1.816 0.665 2.354 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 17.264 1.035 -2.386 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 -4.027 -9.554 -10.278 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 3.654 5.139 0.999 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 3.632 8.527 -1.396 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 -6.439 -1.596 -0.551 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 3.616 -4.329 -3.522 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 -2.072 -13.551 9.379 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 12.791 0.508 -19.223 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 5.690 -2.386 3.988 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 9.027 5.108 -4.858 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 10.904 -6.279 7.267 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 1.051 -0.981 0.951 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 -13.173 2.537 6.400 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 22.346 3.279 -4.325 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 -8.066 3.703 2.244 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 4.184 -11.378 15.819 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 -5.331 -20.302 -22.939 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 -1.725 6.151 1.495 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 3.196 11.048 10.911 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 -2.515 9.701 5.433 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 1.856 6.910 3.840 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 -2.154 17.058 -2.296 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 1.782 4.711 8.206 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 0.252 2.469 -2.253 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 12.864 11.799 -20.239 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 18.543 11.410 1.213 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 -0.484 -0.013 -0.782 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 2.314 3.043 -2.099 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 3.292 11.545 17.657 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 -12.079 -4.756 1.069 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 -5.479 -8.582 0.294 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 -8.771 5.891 1.917 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 -6.364 -4.927 -2.067 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 -0.400 -23.717 -12.424 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 -0.677 -22.681 -11.969 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 -1.212 -4.531 4.134 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 19.085 -34.227 -9.060 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 6.504 -0.074 15.803 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 -0.260 -0.907 -3.170 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 4.861 3.261 -3.761 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 -5.145 1.286 -4.069 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 2.967 1.302 3.074 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 27.534 -3.717 3.186 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 -10.564 -11.008 10.752 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 2.302 -3.576 -0.166 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 -6.604 -2.304 -3.830 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 5.066 -1.848 29.291 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 -0.581 -7.637 -7.121 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 -0.237 -14.637 -10.848 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 -3.664 3.359 -8.330 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 4.851 -2.377 -0.964 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 8.898 5.935 12.379 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 -11.380 -2.578 -2.921 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 -1.550 -5.691 4.384 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 -8.373 -1.520 20.403 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 -10.622 5.906 14.996 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 -5.047 1.794 -6.560 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 -16.576 15.630 -6.532 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 5.390 5.116 -23.240 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 -3.122 5.176 -0.802 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 8.991 0.533 -7.642 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 -15.374 9.464 -6.621 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 1.541 -3.524 4.331 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 17.161 -11.160 18.598 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 4.620 -4.314 7.644 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 1.192 7.962 2.740 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 8.223 16.169 -0.385 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 0.942 9.765 -15.550 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 1.278 1.901 -0.404 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 2.340 2.491 -8.847 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 -5.441 -2.322 -0.683 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 0.863 0.540 -0.263 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 6.725 0.171 2.586 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 -3.099 -2.739 3.551 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 -10.664 1.282 4.781 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 -23.498 13.081 8.658 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 -29.792 1.888 10.093 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 3.875 5.937 -9.461 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 8.705 3.791 -4.192 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 6.057 10.873 -10.809 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 -6.771 -0.302 -8.412 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 -2.353 -18.674 9.369 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 -6.446 0.910 3.029 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 -4.862 7.643 -3.691 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 4.520 1.484 -5.605 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 -12.078 18.964 -2.324 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 3.285 6.031 0.850 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 0.096 10.136 -8.228 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 -16.508 -1.164 5.058 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 -6.838 1.798 -2.101 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 -11.360 -31.371 -3.328 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 -5.200 -2.234 -5.118 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 2.391 -5.814 6.878 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 -20.649 4.139 -24.288 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 -14.671 7.163 -25.164 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 9.623 0.870 -1.772 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 2.880 7.141 -2.410 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 10.672 -0.661 -17.167 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 -3.706 -0.659 -4.599 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 -5.835 -15.210 6.858 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 -2.851 6.179 13.047 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 -5.644 -2.133 3.368 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 -13.715 -8.386 -2.025 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 -20.925 -6.626 -6.508 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 -2.117 -3.773 -3.290 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 -5.079 -9.306 -2.882 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 13.446 9.908 -0.626 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 -0.201 4.241 2.753 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 9.874 22.409 -10.265 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 -15.087 -3.454 -12.559 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 -2.451 -3.548 2.881 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 3.766 6.940 -2.596 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 6.947 13.020 -5.729 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 -1.745 6.630 5.951 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 2.138 3.429 6.644 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 -1.492 11.675 6.098 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 -9.108 -0.446 -2.141 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 6.964 24.782 8.599 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 -27.625 5.645 -4.123 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 1.564 -2.911 6.835 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 -17.948 -27.198 -19.570 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 -4.696 -3.059 13.765 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 7.930 2.080 -2.176 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 8.259 -9.382 10.113 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 19.192 -7.358 -3.735 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 0.220 -2.406 2.756 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 16.467 1.982 12.368 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 3.607 -18.179 -2.161 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 -1.352 3.232 2.578 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 -12.028 1.937 2.222 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 0.994 10.328 -7.912 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 -0.835 -7.120 -0.144 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 11.244 -43.102 1.674 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 -43.450 1.034 -9.821 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 3.241 1.899 5.260 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 22.145 -16.535 8.332 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 33.634 15.983 25.493 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 6.181 -0.300 0.208 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 -24.853 10.771 16.872 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 0.623 17.064 7.892 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 -0.753 4.422 -2.464 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 19.075 16.484 -6.218 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 14.150 9.701 -3.367 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 -1.916 0.683 0.760 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 4.116 12.162 -0.620 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 11.622 -22.373 7.368 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 0.917 2.081 -3.679 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 -7.453 9.323 -11.731 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 3.059 12.654 -1.504 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 0.509 -3.223 -1.264 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 -4.310 7.016 -7.953 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 -13.439 9.537 -21.543 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 -1.037 -2.091 -0.397 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 -15.169 21.299 14.515 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 7.941 4.359 16.857 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 3.532 3.413 3.074 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 -14.031 12.058 48.380 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 -1.432 8.175 12.416 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 -2.587 -4.007 1.478 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 -28.330 -3.562 -10.737 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 24.977 0.180 -2.801 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 0.174 -1.526 -0.060 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 0.143 -14.425 5.432 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 3.622 2.740 -7.761 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 2.053 -3.687 1.873 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 -6.096 3.505 16.598 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 -7.140 3.815 17.897 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 -6.848 2.066 4.799 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 7.062 -3.135 37.989 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 -23.953 -30.386 6.079 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 -1.446 3.084 -1.966 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 16.136 -6.055 -4.812 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 -14.431 -4.502 -9.585 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 -4.488 -3.089 -2.123 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 1.056 5.379 -19.827 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 -6.463 -1.038 5.140 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 -1.140 -3.364 2.318 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 15.071 -6.358 -12.192 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 -10.634 -15.752 9.532 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 -5.079 6.782 0.478 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 -3.462 10.214 -3.719 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 -8.607 7.318 -1.803 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 8.955 -1.139 4.784 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 6.197 3.186 4.344 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 12.170 -5.821 -8.654 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 1.314 -1.057 -1.323 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 -37.825 -12.197 7.029 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 8.189 9.168 -3.855 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 -6.728 -2.037 0.815 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 -5.995 8.224 -13.676 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 7.920 9.516 10.617 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 4.060 5.094 2.173 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 -15.914 9.129 -8.766 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 4.855 17.535 -6.810 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 2.234 -4.086 -3.699 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 -26.778 -7.716 24.462 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 6.298 -0.979 12.226 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 1.156 -2.932 -1.220 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 0.149 10.989 -4.297 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 8.778 -7.037 -0.375 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 -3.392 1.245 -3.258 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 -11.358 4.630 -12.827 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 -8.249 13.932 -4.519 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 -3.959 -1.099 4.966 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 -7.641 31.362 -25.030 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 10.736 7.276 18.678 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 2.391 0.354 -1.855 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 11.193 5.728 0.211 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 -1.725 0.290 7.327 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 4.753 -5.436 6.644 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 -1.161 0.094 -0.940 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 -1.879 -3.793 11.973 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 1.577 8.590 4.262 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 -4.426 6.152 1.573 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 -0.503 7.537 -15.162 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 -5.393 3.339 -1.710 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 -11.389 11.320 25.966 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 2.518 -19.929 13.616 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 0.311 -1.103 3.334 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 -12.613 -10.425 -3.531 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 -1.361 -3.339 1.710 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 2.090 -0.656 -0.609 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 -17.203 -7.903 33.387 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 1.439 -0.239 -7.313 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 0.836 -1.698 0.023 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 -0.437 -1.452 6.815 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 -0.114 -0.758 4.075 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 0.475 -5.551 4.136 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 -16.790 11.140 -10.257 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 10.134 -12.337 5.002 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 -2.307 8.415 2.193 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 -20.961 9.254 -5.644 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 0.406 4.147 3.451 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 -3.103 -2.127 -0.774 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 -5.703 7.398 2.850 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 -6.000 -3.603 12.020 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 4.194 -2.893 3.647 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 0.855 2.552 -5.541 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 -0.661 7.676 31.016 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 -2.362 -4.125 -0.147 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 10.545 -4.287 11.975 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 -4.149 -4.538 -4.584 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 5.585 -0.025 -4.516 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 -14.973 11.475 32.181 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 4.641 5.312 11.612 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 0.628 1.436 1.223 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 10.348 12.292 -7.117 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 -5.730 14.469 1.568 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 -0.990 4.765 -3.648 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 1.688 0.359 -8.693 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 -10.494 7.985 -1.087 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 2.910 -8.730 2.493 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 -0.200 4.105 -5.065 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 -0.639 -5.883 16.644 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 -2.386 4.231 2.630 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 -2.916 0.531 5.404 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 2.826 13.098 -8.902 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 4.804 2.814 -3.747 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 -13.859 25.073 8.352 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 -2.964 -0.676 14.492 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 0.129 2.888 1.962 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 -8.839 -5.296 9.333 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 -3.966 -11.642 -6.304 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 -3.814 -1.498 1.420 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 -5.869 12.351 -15.463 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 -15.708 -6.316 11.330 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 2.447 1.464 1.322 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 4.281 1.604 3.723 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 13.314 -1.017 11.868 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 -0.704 -3.804 2.757 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 -13.186 1.471 15.180 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 -9.193 9.896 -31.206 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 1.429 -0.435 3.336 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 -11.673 -18.962 -0.417 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 -3.622 -12.497 -40.430 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 -0.083 3.081 0.972 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 14.521 9.189 -9.124 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 -11.839 16.368 10.547 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 3.035 -0.332 -1.133 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 6.606 14.286 8.209 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 5.196 6.050 3.248 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 4.875 1.341 0.793 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 7.349 -1.321 -6.996 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 1.907 8.347 11.147 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 -5.173 1.984 -1.161 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 -5.480 13.787 11.171 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 -5.976 2.655 -1.322 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 -2.200 -4.041 8.115 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 -9.584 -1.201 -3.829 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 2.013 -11.343 8.090 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 0.824 -3.254 2.960 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 -10.880 2.452 14.693 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 4.335 -6.232 1.816 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 2.954 1.458 7.492 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 -7.967 3.486 -3.814 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 17.723 3.026 -0.801 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 -4.512 3.960 -0.824 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 -12.857 -27.447 1.886 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 22.948 13.429 -17.463 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 0.396 3.317 -1.994 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 -7.161 -7.878 -22.444 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 -1.197 -2.217 -2.793 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 1.424 -1.200 -0.776 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 17.156 17.606 9.996 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 -6.317 13.320 -5.817 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 -5.098 -6.044 -3.080 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 -3.859 -7.297 -8.718 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 1.080 -0.638 -2.650 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 0.643 0.616 5.302 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 17.675 -4.695 3.887 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 -11.600 -23.164 10.047 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 0.540 -3.352 4.309 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 12.131 -31.717 5.882 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 -3.937 3.212 10.372 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 4.835 -0.271 -1.077 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 2.675 12.353 9.139 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 10.223 -20.191 0.771 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 -0.451 1.377 -5.194 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 -19.120 -5.042 -2.676 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 4.763 -4.478 -2.343 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 -11.918 2.647 -0.371 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 -9.370 3.522 -2.543 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 -12.838 9.522 3.130 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 0.813 1.687 -7.931 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 -5.904 -8.241 -16.065 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 5.156 9.711 -4.270 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 -3.886 -0.508 -1.054 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 -13.152 3.536 6.554 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 9.432 -0.025 8.944 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 2.581 1.621 1.629 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 -4.287 -2.639 6.320 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 12.633 3.260 -8.261 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 5.066 1.464 1.056 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 13.475 10.753 1.110 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 1.940 -0.747 12.713 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 0.845 4.129 1.432 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 -0.431 18.305 2.498 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 -7.347 16.164 7.217 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 4.278 -0.985 -4.928 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 -3.775 0.458 5.965 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 -14.314 0.247 3.644 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 7.733 2.294 -0.116 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 -0.062 14.461 -8.689 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 7.505 1.781 -0.253 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 -3.152 -3.348 1.071 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 -19.828 -10.300 13.271 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 -6.445 -8.782 5.395 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 -5.766 1.806 -6.392 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 -15.588 -5.791 4.661 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 -2.525 5.315 -6.876 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 -3.429 -0.238 -1.499 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 -19.736 8.070 6.529 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 -16.332 6.213 5.176 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 -8.648 -3.423 -5.152 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 -4.442 17.234 7.609 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 -30.345 -16.264 7.081 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 1.805 -1.857 -3.330 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 -0.186 -22.346 -3.332 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 6.141 6.120 -6.095 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 -2.638 6.143 -3.893 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 -6.119 -1.503 16.803 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 3.711 6.940 -6.424 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 3.766 5.135 -0.431 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 -10.028 -7.291 2.225 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 2.010 -24.174 -5.804 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 4.054 8.127 1.609 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 18.007 -0.649 -7.473 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 2.526 26.219 -14.144 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 -3.059 -7.148 1.393 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 -3.122 35.171 -3.230 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 -3.309 -0.169 0.446 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 -4.838 -2.487 -2.234 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 -9.053 5.259 -20.967 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 12.032 -5.026 -1.292 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 -2.944 -7.551 5.365 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 5.818 -1.224 -1.032 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 -2.720 -3.517 4.245 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 6.700 -1.475 -0.101 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 12.250 3.643 2.175 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 -1.878 -15.087 -3.615 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 1.965 -3.042 -1.520 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 -12.230 -4.034 3.317 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 7.421 3.543 12.102 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 -0.947 3.855 1.431 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 10.013 13.715 5.379 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 10.361 10.928 8.699 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 3.301 -0.280 -5.668 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 -5.489 15.964 4.953 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 -8.814 -19.028 -2.356 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 2.608 -4.267 2.707 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 -13.456 -12.821 -11.966 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 14.918 10.554 12.694 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 -4.819 -0.113 5.613 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 -6.292 -10.383 -8.097 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 -4.066 -11.591 18.179 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 4.117 0.295 3.426 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 6.102 -5.421 10.321 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 2.260 -1.705 -5.904 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 -0.186 0.847 -1.864 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 -11.929 -8.720 -20.456 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 10.996 0.441 17.500 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 8.753 -2.221 0.114 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 17.447 8.456 23.010 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 -2.071 15.298 -9.948 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 5.836 7.551 6.264 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 3.503 5.129 -5.998 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 -1.206 -1.811 10.820 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 5.505 -3.654 4.941 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 -30.677 -18.458 9.775 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 3.843 14.965 -16.705 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 1.932 4.269 3.228 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 14.013 22.067 -2.227 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 0.708 -4.568 -6.196 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 0.879 4.359 -0.963 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 15.962 -12.928 2.016 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 -11.712 -4.122 5.622 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 -3.783 -1.232 -3.214 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 -5.438 -2.365 -4.855 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 5.915 8.148 -17.369 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 1.336 -9.790 2.433 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 -8.187 -17.507 14.161 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 -14.037 -13.144 -8.720 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 -1.933 8.445 0.536 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 -1.671 -23.382 9.675 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 -25.919 19.838 15.176 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 -3.031 5.042 -2.020 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 -5.530 6.203 0.459 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 -6.506 7.451 -0.152 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 2.632 -3.486 -0.789 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 -8.614 -9.702 -11.668 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 -5.446 -1.744 13.513 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 3.268 2.748 2.115 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 14.660 -17.804 3.567 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 2.957 5.622 0.446 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 -8.326 -4.792 -2.448 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 -21.357 22.384 14.006 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 -0.358 10.245 -15.009 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 2.617 -1.201 2.765 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 9.176 14.735 13.471 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 2.823 -1.421 1.777 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 4.553 -1.582 5.513 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 12.492 -10.787 18.863 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 -4.914 3.120 -7.355 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 -0.131 1.997 -1.894 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 6.966 3.011 2.550 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 -6.125 1.461 -24.909 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 2.452 -0.267 -4.563 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 15.552 0.940 7.296 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 6.129 15.196 3.274 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 -0.820 4.126 -1.036 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 -20.476 12.584 -14.976 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 -2.522 0.590 -9.012 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 -0.863 -6.698 2.193 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 31.484 -27.467 -12.440 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 -12.560 -20.862 -16.526 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 2.475 -5.481 -3.051 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 21.885 -2.392 -12.754 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 -13.200 -13.366 -5.797 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 -2.383 -1.924 0.371 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 12.711 3.873 -2.372 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 2.429 2.180 -2.292 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 4.607 -2.124 2.604 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 18.363 -5.998 -22.038 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 2.456 -5.428 -20.513 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 4.041 0.010 -0.446 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 13.575 -13.274 15.496 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 8.513 -11.312 10.636 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 -3.065 0.542 1.499 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 15.052 1.630 12.162 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 -12.803 3.195 4.826 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 -5.458 -1.782 3.006 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 -4.732 -2.034 -4.351 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 -7.242 -5.120 -6.031 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 -7.258 -1.298 -4.878 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 -14.545 -18.587 -1.775 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 -0.306 7.041 -12.310 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 -4.493 2.175 3.401 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 -11.176 -12.518 5.247 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 -6.308 8.000 8.642 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 -4.256 -2.262 2.417 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 -14.909 0.755 -4.307 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 -8.859 -4.599 24.848 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 -0.430 3.381 5.339 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 -5.245 -9.067 0.207 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 6.833 1.268 4.114 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 -1.585 1.729 -7.582 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 -6.743 9.213 -9.124 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 -4.397 -4.777 -13.969 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 3.925 -4.332 -3.908 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 13.662 -3.320 -9.252 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 6.044 -2.379 7.526 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 2.385 0.935 5.588 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 1.629 -12.524 -10.058 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 6.197 16.871 -6.812 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 4.307 5.186 -1.348 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 1.133 -5.979 -7.323 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 -1.239 -0.324 5.420 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 -2.949 -1.508 -4.651 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 9.058 -25.945 0.750 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 -5.631 13.895 1.958 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 -2.969 -2.490 -3.721 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 3.780 17.290 -16.741 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 7.735 -8.429 7.883 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 -1.002 -0.084 -4.739 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 6.806 0.998 -8.352 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 12.836 -17.715 -7.043 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 2.404 2.466 -5.345 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 -0.716 1.013 -0.038 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 15.949 -5.422 -5.793 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 1.852 0.956 5.161 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 5.370 3.088 3.496 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 4.229 5.862 -19.344 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 2.801 0.213 -1.876 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 25.091 21.455 3.875 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 -3.148 6.082 -11.831 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 -1.825 5.564 1.143 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 -2.738 -2.191 -4.544 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 -0.015 30.494 7.027 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 8.014 -6.727 -1.896 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 2.826 -27.824 -15.248 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 21.940 -16.907 23.732 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 -1.936 -0.196 0.603 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 -16.608 4.855 0.006 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 -20.005 -9.487 2.059 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 0.753 0.107 3.739 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 17.866 10.794 -3.962 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 7.496 -21.268 4.652 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 1.027 8.031 5.006 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 8.257 13.161 -7.315 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 -3.804 9.970 12.976 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 0.035 1.792 -2.248 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 8.670 3.925 -2.339 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 3.473 2.625 -1.963 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 1.580 -4.457 -3.014 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 2.270 -3.299 -9.013 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 20.354 -31.121 -28.255 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 -1.688 -3.967 0.367 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 0.723 -2.119 -7.232 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 4.219 9.477 0.846 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 1.498 4.010 -4.571 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 -21.030 -11.782 3.477 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 -4.560 19.318 -25.831 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 4.234 -0.943 -1.212 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 -4.988 -2.769 -12.524 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 11.469 11.412 -6.641 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 1.008 2.462 3.087 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 0.210 -2.975 22.272 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 -15.416 12.023 0.536 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 0.765 -3.948 -5.413 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 -4.679 14.369 -2.941 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 -15.740 -11.404 -4.680 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 -0.938 1.053 -5.059 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 -12.165 -8.488 -3.649 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 1.265 6.064 8.726 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 -2.625 -2.241 -2.258 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 -7.199 -10.353 -5.470 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 1.500 2.121 -13.037 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 2.309 4.535 -4.013 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 -10.729 18.160 -7.733 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 9.313 4.615 -23.956 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 -10.548 -1.531 -7.284 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 3.876 -4.035 -7.528 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 -9.376 -2.744 -2.634 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 1.131 -3.099 -4.312 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 -3.153 5.394 1.229 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 4.397 -0.389 -10.767 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 4.179 1.647 -3.263 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 -6.369 -15.295 -21.722 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 -3.353 13.603 10.452 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 7.623 2.557 -1.650 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 0.370 -12.197 -4.192 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 4.267 11.144 -0.348 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 -3.933 1.433 -0.601 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 -13.350 -2.180 -3.960 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 27.509 -0.188 -6.394 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 -4.283 -1.065 2.270 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 -15.016 -4.161 4.874 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 -4.571 -2.179 2.096 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 -3.877 -3.141 -0.357 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 -4.756 -8.878 -10.046 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 12.939 -12.039 3.480 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 6.748 1.471 -2.292 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 19.549 -6.094 -10.729 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 23.111 -13.716 0.896 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 2.412 4.450 -1.915 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 -0.475 -18.163 -1.846 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 12.337 12.783 11.532 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 -1.012 -1.751 -0.585 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 8.140 4.079 1.986 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 0.479 -11.943 1.343 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 -1.763 0.720 -3.514 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 -5.480 19.267 9.463 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 -14.021 -16.542 6.508 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 -5.776 0.796 -0.234 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 1.770 7.225 4.509 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 -0.932 3.235 15.241 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 1.965 2.159 2.142 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 -0.444 6.959 3.857 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 -3.874 10.043 6.232 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 4.159 6.977 1.754 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 6.557 -14.962 22.008 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 -1.258 -17.423 16.120 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 -0.253 -2.048 -4.389 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 -3.333 8.189 20.550 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 25.940 -4.907 -7.274 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 1.833 -1.749 7.331 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 4.762 -12.262 6.690 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 0.272 10.422 -8.047 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 2.760 -3.492 -2.923 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 11.561 -14.621 4.644 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 2.490 -1.315 -6.191 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 2.638 3.274 3.597 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 2.479 3.780 8.180 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 0.337 2.721 11.472 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 -4.326 4.782 4.639 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 -8.761 12.255 -5.516 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 7.453 12.830 1.560 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 -0.308 3.683 -0.472 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 -14.006 -14.672 2.506 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 -6.078 22.822 -6.206 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 -3.938 1.880 1.723 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 -0.283 -1.448 -0.399 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 -2.256 -2.171 -4.739 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 -4.323 -0.906 2.970 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 13.101 6.427 0.099 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 -0.609 -13.931 18.958 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 2.734 -5.008 -1.432 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 12.218 -11.694 8.858 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 14.017 4.638 -10.809 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 8.441 3.763 -9.503 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 -6.300 -9.235 2.124 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 10.366 23.693 -23.031 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 -5.992 1.098 -2.322 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 -17.750 6.120 34.239 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 -4.516 -4.583 0.105 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 4.803 0.332 1.090 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 19.645 -7.611 -10.271 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 -6.466 11.269 -11.168 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 4.428 -3.146 -1.368 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 16.886 7.312 -16.032 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 4.418 -2.555 1.112 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 -3.655 -4.747 0.176 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 -8.651 -4.706 -2.939 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 -10.563 -0.550 6.596 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 -2.216 -3.384 -8.835 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 0.230 -2.218 -19.999 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 -13.919 -5.861 -0.105 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 0.710 -3.397 -0.590 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 5.623 1.948 -16.162 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 17.520 4.453 6.798 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 5.218 -1.608 -3.938 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 -3.894 12.249 -10.033 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 -5.437 -0.713 5.539 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 -1.341 8.622 3.304 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 5.198 7.306 3.522 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 0.623 -0.308 -25.559 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 -2.847 2.106 9.043 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 -14.836 14.175 18.705 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 -12.565 -5.412 18.849 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 2.193 -2.872 -0.843 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 -6.983 -0.440 -14.912 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 9.278 1.217 -6.841 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 -1.807 -1.030 1.262 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 2.149 -20.046 27.175 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 -18.870 -4.087 -5.625 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 -4.555 -0.517 -2.572 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 7.022 6.879 -6.249 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 -0.667 12.901 -11.563 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 -2.102 -0.227 -2.152 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 4.425 8.852 -8.285 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 1.511 -1.250 -19.644 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 1.343 -6.329 5.109 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 -15.653 -10.746 5.894 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 -5.745 19.466 -11.909 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 -6.255 2.288 -3.243 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 -4.831 -2.028 -0.204 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 -4.666 -8.541 5.400 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 1.656 0.606 -1.060 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 2.589 7.696 -5.300 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 11.781 3.563 -1.021 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 1.654 3.879 0.211 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 4.787 -16.948 -3.889 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 9.132 12.703 -16.868 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 0.154 1.685 -0.312 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 2.953 3.334 -3.270 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 -2.210 5.474 0.670 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 -6.182 7.372 3.693 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 -5.892 7.433 2.482 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 -17.717 2.639 -17.957 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 -2.868 -3.510 -6.093 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 2.469 -10.184 -9.058 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 -4.368 -14.179 -9.762 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 -1.055 2.026 -0.923 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 -7.304 7.755 -1.144 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 -5.103 4.286 -2.181 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 -2.759 3.110 -1.289 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 8.680 11.843 4.435 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 -20.114 -26.621 9.982 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 1.473 4.498 -10.156 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 -12.618 -12.608 5.357 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 12.990 -7.930 -10.545 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 -6.705 -4.507 -1.496 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 -21.062 -3.203 -0.824 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 -13.665 -3.474 -12.104 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 4.728 6.409 1.240 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 2.942 16.916 3.942 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 0.428 20.723 4.915 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 -2.304 3.922 1.312 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 -7.318 -0.913 4.198 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 7.355 3.514 -0.519 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 -1.328 0.933 -0.849 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 -4.639 -29.292 -26.143 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 -26.736 25.576 -22.136 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 -3.320 -1.489 0.232 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 -2.394 6.977 7.131 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 -6.203 -9.778 6.835 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 -2.129 -1.750 3.607 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 4.590 -0.059 -17.414 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 -4.237 9.960 11.506 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 0.447 -0.076 -3.519 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 11.931 10.120 -4.361 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 -0.062 -1.727 -4.560 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 0.282 -3.428 5.828 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 -4.599 -2.477 5.473 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 5.664 -3.433 15.235 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 0.441 0.930 -6.573 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 -1.953 8.870 -4.711 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 2.370 5.035 0.765 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 -8.193 0.127 -0.773 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 -2.602 -2.135 19.049 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 -10.544 -19.864 -11.828 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 5.064 2.423 3.977 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 -1.330 4.928 6.963 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 11.435 4.565 13.972 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 1.114 1.038 2.477 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 27.535 21.919 -2.706 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 -11.036 -3.006 -2.494 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 -0.718 -3.487 4.865 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 -21.476 10.077 9.245 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 -2.089 13.619 21.091 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 -3.260 3.904 -3.886 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 -11.206 -0.156 -1.667 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -6.018 3.748 -8.076 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 1.781 -4.172 -1.317 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 3.481 2.577 -14.716 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 -1.700 -10.356 -0.521 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 1.363 -1.018 0.655 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 -10.892 -7.834 8.364 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 11.894 4.443 -8.018 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 -2.241 1.834 4.678 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 13.049 -16.336 -6.217 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 -34.530 -20.484 23.656 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 -1.983 0.988 1.478 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 20.656 12.488 13.473 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 -23.680 15.597 4.110 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 -6.947 -2.137 -1.425 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 -31.634 -0.312 -4.231 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 13.305 -2.387 -1.398 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 -5.351 5.423 1.245 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 -0.069 -2.148 7.943 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 -4.849 10.405 2.390 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 2.080 -1.864 3.871 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 13.124 6.093 10.710 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 -3.631 -5.259 0.209 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 1.452 0.476 -3.738 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 1.160 -3.349 14.605 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 1.750 -15.939 -5.777 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 0.091 4.246 -0.391 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 0.424 2.729 7.172 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 7.815 2.281 -13.294 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 1.316 -6.846 -1.825 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 -13.436 -3.925 -7.095 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 1.258 -20.212 -7.435 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 -3.482 -5.430 -1.987 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 -11.485 22.542 0.446 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 -5.563 5.374 -1.041 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 0.566 -1.234 -4.062 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 -22.361 33.895 0.660 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 -17.112 17.465 19.737 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 -5.639 -5.501 2.741 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 -5.823 18.604 -14.545 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 19.128 5.961 16.654 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 2.369 2.056 -2.446 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 8.996 -15.303 4.876 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 3.550 27.719 5.520 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 3.326 -1.155 5.463 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 11.407 9.051 -2.788 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 21.303 7.972 9.408 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 3.780 -1.027 -2.073 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 6.637 -24.320 5.713 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 12.530 5.761 10.543 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 2.773 -7.075 3.181 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 3.439 -7.601 4.071 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 6.739 -7.721 8.631 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 -3.494 -6.508 -6.712 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 22.481 -4.992 -7.383 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 13.383 5.216 -8.182 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 -3.089 11.837 0.717 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 26.519 -1.171 -13.346 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 -10.756 1.458 -24.745 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 0.651 2.121 0.734 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 10.691 -3.130 -5.553 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 -5.978 -4.061 6.776 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 -4.621 7.881 1.490 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 -2.887 8.642 3.232 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 -2.366 4.387 -3.563 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 6.192 -0.953 -2.849 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 3.747 3.915 2.602 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 11.559 0.071 -0.124 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 3.642 6.660 5.062 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 31.196 -5.712 -11.304 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 2.690 8.237 -4.610 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 -2.179 3.030 1.614 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 -5.773 2.498 1.007 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 -0.587 -12.482 4.031 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 2.444 -6.084 -0.855 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 -2.360 11.250 -0.192 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 18.987 -1.413 -9.093 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 0.615 1.840 0.017 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 15.415 15.580 29.515 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 -0.243 0.739 -2.511 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 -2.010 -0.158 5.594 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 -11.129 -3.402 -3.364 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 -13.652 -13.353 -13.118 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 4.117 0.902 -6.218 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 43.741 5.881 20.241 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 -7.778 -3.985 -14.242 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 0.741 -0.988 3.592 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 -22.482 32.426 -7.019 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 36.933 -9.605 23.047 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 3.181 -4.027 -10.842 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 6.491 0.934 -18.543 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 4.869 22.606 -11.236 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 -4.528 -0.251 -1.979 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 1.543 -0.969 3.095 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 -11.034 -3.893 0.728 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 1.883 -1.878 -0.481 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 -2.775 18.074 2.964 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 16.535 15.014 3.858 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 0.591 -2.767 2.313 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 7.031 -1.326 -0.468 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 -5.733 -9.685 -3.272 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 0.167 3.873 2.383 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 -4.107 4.211 -7.379 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 -7.499 -20.758 5.307 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 1.914 1.017 5.077 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 2.803 -0.162 -9.544 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 -9.854 2.165 7.820 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 3.614 -6.609 5.526 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 -18.562 -3.745 24.842 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 21.195 -20.346 -0.216 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 7.241 5.078 -0.768 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 -16.339 -23.867 29.724 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 6.439 12.607 -1.640 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 3.813 2.293 4.904 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 5.639 10.825 -11.480 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 4.362 4.063 0.723 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 0.580 4.491 -0.569 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 3.045 4.347 4.755 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 -5.860 10.260 7.790 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 10.652 5.215 -3.573 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 5.466 -2.361 -9.865 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 2.917 2.416 0.240 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 -1.012 3.065 11.983 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 -7.728 7.692 -0.106 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 3.326 6.443 7.964 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 0.449 0.777 -1.878 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 -5.054 -2.074 4.575 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 -37.297 7.699 0.174 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 -0.451 -4.947 1.444 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 -25.793 -19.032 -6.178 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 10.735 -17.615 1.797 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 3.403 -0.827 9.675 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 12.532 9.996 11.397 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 -0.985 -15.556 12.943 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 -1.439 0.029 -3.728 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 -11.000 -7.786 -12.398 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 16.441 -6.813 -4.021 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 1.200 -1.980 -2.200 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 8.759 -8.875 -6.778 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 9.574 0.877 -5.910 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 -4.339 0.221 -2.026 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 -15.154 7.548 12.501 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 -6.613 -12.872 -5.881 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 0.317 1.588 1.684 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 5.670 23.466 -28.300 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 0.732 -3.324 17.546 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 0.797 1.651 1.972 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 -12.650 31.048 8.991 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 0.144 6.130 5.137 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 -6.067 -4.109 1.476 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 -12.626 -2.633 -13.121 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 -9.690 2.472 -12.678 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 -2.428 -3.602 -2.110 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 10.562 -22.005 5.412 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 -4.093 -1.238 -3.021 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 -0.047 -4.993 1.931 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 -1.249 2.868 -0.058 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 0.218 23.641 5.263 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 -3.055 -5.875 -0.231 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 8.540 -12.540 2.587 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 -1.191 -8.060 -11.995 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 -5.909 0.006 2.652 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 1.996 -1.998 -17.238 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 -5.359 -7.681 -13.315 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 1.233 1.108 4.013 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 -7.668 -20.735 24.816 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 17.702 5.879 13.065 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 3.410 -2.706 -0.674 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 1.958 -3.218 -0.277 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 -0.833 -6.252 1.757 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 -2.886 -0.180 -6.286 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 17.290 3.119 18.145 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 -3.011 11.443 4.441 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 -1.468 -1.154 -5.336 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 -5.827 10.655 -13.862 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 -4.440 -27.631 16.587 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 -3.643 -5.865 -4.416 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 11.645 19.227 8.314 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 1.649 -5.509 0.046 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 -0.713 2.329 1.503 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 13.198 33.180 -11.012 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 -18.220 23.906 -6.231 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 -2.354 -3.172 2.517 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 2.762 -17.715 -8.924 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 -18.243 -1.525 -4.561 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 -5.940 -3.784 -3.360 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 -13.553 -31.738 0.796 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 -8.470 0.422 5.724 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 -0.404 -1.385 -1.366 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 1.524 8.316 14.089 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 36.934 -6.515 -3.650 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 -1.686 0.042 -6.786 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 0.434 12.962 -11.580 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 -25.702 3.548 -0.896 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 -4.083 5.787 0.370 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 -20.162 -6.223 -0.680 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 -0.978 9.483 14.747 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 1.462 -0.678 -2.556 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 10.631 9.281 11.963 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 -6.718 -17.099 5.739 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 2.912 -4.198 1.858 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 17.319 10.255 0.002 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 1.065 3.298 -1.148 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 5.470 -0.250 1.279 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 -0.233 -4.164 6.014 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 -12.459 -14.861 21.444 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 4.804 2.544 3.167 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 -6.085 1.065 3.496 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 11.386 -5.536 -6.542 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 2.007 2.190 7.952 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 -5.219 -7.651 20.308 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 -3.024 -3.382 17.746 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 4.021 2.460 0.877 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 -2.252 25.250 21.123 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 -1.130 -6.631 -2.637 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 -0.088 -3.302 -0.353 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 0.663 -12.802 0.531 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 10.638 -0.444 1.586 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 6.764 -0.918 -1.101 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 16.518 -4.167 13.093 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 -5.660 -17.031 -2.022 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 3.089 3.402 -4.053 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 -0.159 -4.443 -1.461 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 16.148 7.437 -8.399 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 0.106 -1.614 -5.764 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 -4.979 -14.410 -7.269 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 10.369 -6.671 -12.142 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 -3.741 4.981 2.987 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 -2.056 19.991 7.836 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 -10.675 -6.302 4.894 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 1.127 7.258 -1.976 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 -18.430 -10.152 3.765 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 -13.680 1.834 -15.614 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 2.429 2.731 7.797 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 -14.172 6.779 -6.524 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 -13.563 -11.012 12.570 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 -0.711 10.489 6.094 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 15.398 -1.795 -0.450 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 8.811 3.473 3.357 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 -3.206 -5.566 -3.640 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 15.274 -4.138 2.690 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 -9.292 -2.951 -5.186 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 5.644 -1.224 -1.904 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 0.759 2.466 8.155 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 15.760 -8.347 -24.257 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 0.597 -0.626 -0.965 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 11.717 -2.989 4.615 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 -4.072 -9.523 -1.787 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 5.631 0.870 -5.494 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 4.481 20.139 -8.042 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 -7.972 -2.975 -14.686 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 -0.620 3.155 3.902 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 -8.575 18.928 -8.353 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 1.277 7.651 -16.332 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 8.091 -2.580 2.841 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 2.874 -18.868 8.133 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 -15.827 3.931 -27.692 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 -0.065 2.774 0.476 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 10.499 -10.959 -5.417 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 9.013 0.930 -9.248 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 2.283 0.852 -1.369 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 18.421 -4.181 3.769 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 -9.752 7.830 -3.060 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 -7.514 1.746 -0.507 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 -2.174 0.887 -8.738 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 -9.928 1.976 1.138 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 0.967 -6.234 -1.949 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 15.152 -13.486 -15.698 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 6.645 -12.163 15.735 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 -0.817 -1.520 -6.399 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 -1.576 10.944 -3.165 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 -1.040 -15.560 8.061 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 2.992 1.754 -4.075 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 6.209 2.184 -1.474 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 -2.687 -11.104 -0.341 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 1.512 2.701 0.504 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 11.060 -17.691 -9.263 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 0.092 -0.483 2.304 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 -2.630 -3.117 2.250 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 14.142 -6.433 3.219 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 -18.361 -1.416 1.234 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 -1.913 3.614 -1.212 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 -2.362 12.640 -2.626 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 1.645 15.202 -7.784 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 2.208 0.636 -6.433 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 4.268 16.821 -7.348 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 -12.405 10.090 -1.669 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 -1.857 2.183 -7.633 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 16.563 -2.516 -7.417 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 15.100 -7.682 3.243 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 3.720 -10.360 6.555 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 16.285 2.003 1.387 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 -13.412 2.628 0.460 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 3.560 3.076 4.024 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 -8.428 1.665 -22.541 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 10.415 2.123 6.707 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 3.501 -1.099 1.766 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 5.044 15.704 -3.114 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 16.498 -9.343 -5.909 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 7.414 -2.055 -6.600 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 6.138 57.450 11.771 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 2.381 -8.871 -17.067 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 -1.457 -3.690 0.515 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 -2.398 -15.461 7.108 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 -10.741 0.904 -13.486 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 -7.293 0.080 3.339 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 -7.904 -25.126 3.123 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 13.697 -10.884 -11.057 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 3.588 2.354 4.376 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 0.825 0.711 8.250 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 -11.718 -3.681 -3.016 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 7.603 0.480 4.494 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 -23.086 6.741 3.846 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 14.599 -6.465 4.740 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 0.542 3.609 -2.424 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 10.614 -1.774 -10.006 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 -0.017 14.225 -8.333 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 1.867 4.926 1.437 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 6.620 25.223 -11.632 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 -0.211 1.179 -1.063 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 1.061 -3.579 0.302 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 12.138 -1.144 18.144 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 -9.748 0.944 13.786 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 -1.683 0.434 -2.916 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 -5.128 2.761 -4.376 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 -3.249 -3.305 -1.661 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 -0.968 1.425 -3.728 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 -3.553 10.731 6.102 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 -3.742 7.423 4.919 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 -0.570 -3.668 -5.668 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 -0.105 -7.123 0.038 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 5.273 -14.632 -19.211 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 -1.058 1.573 3.551 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 4.594 -11.065 9.105 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 3.291 -27.616 1.904 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 -2.492 -0.765 0.976 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 4.288 2.362 -3.748 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 -8.874 0.774 -5.162 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 3.461 2.607 6.676 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 -16.776 -6.141 13.990 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 -2.820 6.414 7.621 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 7.772 4.205 -0.538 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 13.033 14.944 9.333 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 1.950 -0.943 -1.047 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 -0.568 -0.039 -8.311 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 -5.539 4.175 -11.914 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 3.176 -5.019 12.951 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 -2.735 -4.409 -3.711 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 -12.848 -6.392 4.681 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 -3.853 -8.772 -7.007 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 -0.208 -4.154 -7.504 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 0.252 3.506 -15.593 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 -3.262 -1.457 -4.792 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 6.529 5.623 -2.044 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 -6.333 -18.836 28.118 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 2.285 15.150 9.125 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 -3.449 -7.601 -1.196 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 -2.344 -0.786 9.072 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 7.999 -8.707 -4.853 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 -2.361 -4.114 -4.568 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 20.691 0.229 -4.881 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 -14.137 0.437 -14.166 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 4.304 -0.769 -2.758 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 24.237 29.691 17.900 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 -2.649 5.873 -12.779 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 4.585 -0.031 5.457 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 1.716 12.954 -0.907 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 6.058 -4.988 -1.519 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 -3.802 -0.825 -1.323 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 -3.521 -15.358 9.381 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 -4.582 7.098 -0.916 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 2.316 0.461 2.278 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 -15.312 -4.388 3.542 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 -9.888 -4.742 3.264 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 -0.041 -5.474 -1.569 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 -3.792 -7.411 24.526 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 25.859 10.063 4.177 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 7.671 -5.511 3.396 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 4.131 -8.559 0.752 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 -14.964 -25.200 5.568 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 -2.060 -1.658 -1.233 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 -13.426 -4.322 -0.476 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 -7.443 0.378 -2.926 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 -9.781 0.809 -1.634 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 -11.817 4.521 -1.280 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 -7.875 5.094 -2.228 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 -0.227 2.738 2.546 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 -15.643 -22.992 3.698 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 1.931 5.806 2.082 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 -0.479 -0.294 4.454 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 -3.071 2.857 7.817 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 -3.552 -1.690 1.016 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 -4.832 -2.028 -1.590 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 12.314 -21.189 28.713 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 -6.682 4.985 -1.316 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 -1.177 5.506 0.302 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 -3.086 1.372 4.836 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 -1.360 1.056 -1.283 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 11.596 -0.106 -1.157 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 4.983 2.854 -3.823 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 -6.819 -10.300 17.104 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 -0.177 5.983 4.954 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 2.860 -6.301 -0.177 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 -0.383 -2.509 2.474 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 2.482 -2.271 1.631 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 18.877 -14.213 4.342 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 -0.875 -3.062 12.097 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 1.440 2.677 2.894 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 5.099 11.643 8.329 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 3.306 9.995 3.250 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 -0.485 4.391 -6.650 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 14.672 6.806 6.600 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 3.128 -19.675 28.625 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 -2.024 3.097 -0.179 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 -2.625 -8.189 -0.455 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 1.180 2.256 9.213 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 1.844 0.180 9.922 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 6.879 -1.435 -3.353 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 7.724 -5.688 19.276 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 -4.683 7.874 1.300 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 -5.191 5.420 9.260 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 -4.772 7.534 0.912 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 -4.323 3.212 -4.579 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 7.039 13.764 5.262 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 -2.579 -3.773 -11.173 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 -1.163 3.345 -2.090 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 3.589 -7.162 -4.417 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 -6.444 5.953 -10.262 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 2.381 -0.766 -7.171 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 -0.261 -13.715 11.010 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 -0.473 6.177 16.633 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 2.815 -1.586 2.820 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 18.487 -2.767 15.101 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 -2.303 -21.351 -0.501 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 6.164 -0.291 0.311 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 6.188 -21.174 -10.153 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 -2.757 0.394 -7.352 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 0.674 -3.249 1.122 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 6.439 -5.253 -5.919 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 0.380 7.371 4.609 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 5.280 -2.617 0.216 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 3.308 -3.932 -6.947 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 10.904 -2.587 7.821 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 -11.070 4.949 1.714 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 -2.626 -1.494 -1.919 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 -0.688 -3.851 -2.876 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 2.475 5.877 -6.794 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 5.241 2.079 -5.203 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 1.137 1.596 2.682 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 2.345 -1.233 2.646 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 4.934 1.814 3.601 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 -1.706 3.269 -4.109 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 4.907 -3.393 -1.556 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 2.779 3.562 -2.244 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 0.162 4.084 0.958 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 6.029 3.192 -3.302 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 -0.035 -0.640 0.897 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 -1.424 -0.067 4.522 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 -2.618 3.172 -4.049 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 -2.879 -0.291 0.188 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 -6.082 0.978 -0.796 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 1.809 -2.748 -3.225 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 -3.239 3.267 -2.105 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 2.027 5.067 -0.007 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 3.500 1.163 2.123 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 2.440 0.595 -2.163 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 2.154 1.079 2.675 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 -1.285 -2.302 -0.944 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 -1.723 -3.385 2.417 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 2.732 -1.518 2.477 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 3.594 1.345 -2.245 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 3.698 0.121 -3.803 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 3.372 -1.787 -3.451 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 2.327 1.644 0.164 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 -5.891 2.564 -2.624 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 6.296 6.354 -0.382 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 2.661 -3.924 1.198 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 -2.385 2.983 0.889 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 4.215 0.308 4.172 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 1.059 -1.302 2.481 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 -4.515 3.221 -2.236 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 4.136 0.165 1.776 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 -0.401 -2.249 5.466 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 -5.002 -1.275 -1.716 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 0.724 2.079 -1.539 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 -4.967 3.146 1.576 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 3.782 -2.230 -0.557 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 1.949 -4.061 1.956 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 -1.616 -3.959 -2.982 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 -2.525 4.018 -0.804 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 -1.899 -2.000 3.497 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 3.719 3.486 3.080 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 0.429 -3.432 -1.624 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 -2.984 -2.076 -5.664 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 2.292 -2.723 -2.182 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 2.600 -3.232 4.159 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 0.364 0.883 1.069 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 2.346 4.834 -1.887 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 3.023 -0.164 8.106 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 -3.771 4.590 2.222 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 -2.619 -1.705 -2.874 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 2.338 3.369 -4.432 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 0.568 2.988 1.001 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 -3.189 -5.753 -0.641 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 -0.014 -2.046 5.804 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 0.638 0.515 8.740 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 -0.455 -4.981 1.557 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 -1.051 1.224 2.951 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 -1.295 -5.460 -1.150 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 -1.675 4.911 -1.462 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 0.242 -1.747 -2.283 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 -0.197 -4.887 4.358 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 -2.333 7.031 0.568 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 -0.802 2.339 -1.470 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 0.659 -0.133 1.398 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 -0.400 -1.808 2.663 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 -1.265 3.988 2.605 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 -3.050 -1.222 -4.444 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 -0.760 0.549 5.297 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 4.084 3.803 0.332 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 0.344 -1.617 2.041 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 -2.170 2.549 -6.803 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 4.228 -2.759 -2.325 1.00 0.00 ION NA END